USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -11:sc= -0.0376 USER MOD Set 1.2: B 78 SER OG : rot -5:sc= -0.0188 USER MOD Set 2.1: B 28 LYS NZ :NH3+ 175:sc= -0.466 (180deg=-0.516) USER MOD Set 2.2: B 29 LYS NZ :NH3+ -116:sc= -0.4 (180deg=-1.23) USER MOD Set 3.1: A 85 HIS : no HE2:sc= -0.749 K(o=-1.4,f=-5.2) USER MOD Set 3.2: B 15 HIS : no HE2:sc= -0.645 K(o=-1.4,f=-6.3!) USER MOD Set 4.1: A 81 THR OG1 : rot 85:sc= 0.663 USER MOD Set 4.2: B 7 MET CE :methyl 170:sc= -0.0713 (180deg=-0.317) USER MOD Set 5.1: A 28 LYS NZ :NH3+ 176:sc= -0.503 (180deg=-0.453) USER MOD Set 5.2: A 29 LYS NZ :NH3+ -116:sc= -0.355 (180deg=-1.03) USER MOD Set 6.1: A 15 HIS : no HE2:sc= -0.566 K(o=-1.2,f=-5.9!) USER MOD Set 6.2: B 85 HIS : no HE2:sc= -0.631 K(o=-1.2,f=-4.7) USER MOD Set 7.1: A 7 MET CE :methyl 169:sc= -0.08 (180deg=-0.345) USER MOD Set 7.2: B 81 THR OG1 : rot 98:sc= 0.674 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -162:sc= -0.0182 (180deg=-0.331) USER MOD Single : A 1 SER OG : rot -50:sc= -0.0107 USER MOD Single : A 5 LYS NZ :NH3+ -128:sc= 0.763 (180deg=-0.368) USER MOD Single : A 16 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 17 TYR OH : rot -22:sc= 0.513 USER MOD Single : A 18 SER OG : rot -143:sc= -0.924 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.293 (180deg=-1.07) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= -0.406 (180deg=-1.05) USER MOD Single : A 37 ASN : amide:sc= -4.6 K(o=-4.6,f=-15!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0265 F(o=-0.78,f=-0.026) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 42 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.11 (180deg=-0.817) USER MOD Single : A 50 GLN :FLIP amide:sc= -5.85! C(o=-9.4!,f=-5.8!) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0.0184 (180deg=0.00391) USER MOD Single : A 57 MET CE :methyl -113:sc= -2.29 (180deg=-6.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 30:sc= -2.31 USER MOD Single : A 71 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.83) USER MOD Single : A 74 MET CE :methyl -153:sc= -1.75 (180deg=-3.24!) USER MOD Single : A 79 MET CE :methyl -151:sc= -0.238 (180deg=-1.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 84 CYS SG : rot 57:sc= -0.718 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -163:sc=-0.00711 (180deg=-0.297) USER MOD Single : B 1 SER OG : rot -51:sc= 0.00736 USER MOD Single : B 5 LYS NZ :NH3+ -129:sc= 0.673 (180deg=-0.231) USER MOD Single : B 16 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : B 17 TYR OH : rot -34:sc= 0.51 USER MOD Single : B 18 SER OG : rot -146:sc= -1.02! USER MOD Single : B 24 LYS NZ :NH3+ -160:sc= -0.297 (180deg=-0.936) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 150:sc= -0.372 (180deg=-0.932) USER MOD Single : B 37 ASN : amide:sc= -4.87! C(o=-4.9!,f=-15!) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.0358 F(o=-0.86,f=-0.036) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0416 USER MOD Single : B 42 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-3.1!) USER MOD Single : B 48 LYS NZ :NH3+ 161:sc= -0.0881 (180deg=-0.837) USER MOD Single : B 50 GLN :FLIP amide:sc= -5.71! C(o=-9.3!,f=-5.7!) USER MOD Single : B 55 LYS NZ :NH3+ -170:sc= 0.517 (180deg=0.438) USER MOD Single : B 57 MET CE :methyl -117:sc= -2.32 (180deg=-6.43!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 28:sc= -2.29 USER MOD Single : B 71 GLN : amide:sc= -0.0146 K(o=-0.015,f=-0.9) USER MOD Single : B 74 MET CE :methyl -153:sc= -1.75 (180deg=-3.54!) USER MOD Single : B 79 MET CE :methyl -147:sc= -0.212 (180deg=-2.06) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : B 84 CYS SG : rot 60:sc= -0.754 USER MOD Single : X 105 HIS :FLIP no HD1:sc= -2.17! C(o=-4.3!,f=-2.2!) USER MOD Single : X 106 LYS NZ :NH3+ 155:sc= -0.149 (180deg=-0.749) USER MOD Single : X 107 LYS NZ :NH3+ 161:sc= -0.277 (180deg=-1.04) USER MOD Single : X 109 MET CE :methyl -139:sc= -0.338 (180deg=-1.87) USER MOD Single : X 111 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0849) USER MOD Single : X 112 THR OG1 : rot -37:sc= 0.723 USER MOD Single : Y 105 HIS :FLIP no HD1:sc= -2.21! C(o=-4.2!,f=-2.2!) USER MOD Single : Y 106 LYS NZ :NH3+ 155:sc= -0.0934 (180deg=-0.724) USER MOD Single : Y 107 LYS NZ :NH3+ 160:sc= -0.298 (180deg=-0.997) USER MOD Single : Y 109 MET CE :methyl -138:sc= -0.277 (180deg=-1.77) USER MOD Single : Y 111 LYS NZ :NH3+ -146:sc=-0.000226 (180deg=-0.122) USER MOD Single : Y 112 THR OG1 : rot -39:sc= 0.651 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.285 -1.904 -14.610 1.00 0.00 N ATOM 2 CA MET A 0 -0.739 -2.374 -15.585 1.00 0.00 C ATOM 3 C MET A 0 -1.990 -1.500 -15.476 1.00 0.00 C ATOM 4 O MET A 0 -3.003 -1.912 -14.947 1.00 0.00 O ATOM 5 CB MET A 0 -1.096 -3.833 -15.284 1.00 0.00 C ATOM 6 CG MET A 0 0.092 -4.727 -15.645 1.00 0.00 C ATOM 7 SD MET A 0 -0.316 -6.455 -15.294 1.00 0.00 S ATOM 8 CE MET A 0 1.229 -7.177 -15.899 1.00 0.00 C ATOM 0 H1 MET A 0 1.218 -2.277 -14.880 1.00 0.00 H new ATOM 0 H2 MET A 0 0.314 -0.864 -14.611 1.00 0.00 H new ATOM 0 H3 MET A 0 0.039 -2.243 -13.658 1.00 0.00 H new ATOM 0 HA MET A 0 -0.340 -2.302 -16.597 1.00 0.00 H new ATOM 0 HB2 MET A 0 -1.346 -3.948 -14.229 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.976 -4.130 -15.855 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.341 -4.609 -16.700 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.971 -4.428 -15.075 1.00 0.00 H new ATOM 0 HE1 MET A 0 1.197 -8.260 -15.777 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.355 -6.934 -16.954 1.00 0.00 H new ATOM 0 HE3 MET A 0 2.067 -6.773 -15.331 1.00 0.00 H new ATOM 20 N SER A 1 -1.923 -0.294 -15.974 1.00 0.00 N ATOM 21 CA SER A 1 -3.109 0.614 -15.900 1.00 0.00 C ATOM 22 C SER A 1 -3.474 0.862 -14.434 1.00 0.00 C ATOM 23 O SER A 1 -4.583 1.237 -14.112 1.00 0.00 O ATOM 24 CB SER A 1 -4.296 -0.030 -16.626 1.00 0.00 C ATOM 25 OG SER A 1 -5.226 0.980 -16.990 1.00 0.00 O ATOM 0 H SER A 1 -1.101 0.103 -16.428 1.00 0.00 H new ATOM 0 HA SER A 1 -2.868 1.564 -16.377 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.950 -0.560 -17.514 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.775 -0.767 -15.982 1.00 0.00 H new ATOM 0 HG SER A 1 -5.428 1.536 -16.209 1.00 0.00 H new ATOM 31 N GLU A 2 -2.540 0.667 -13.549 1.00 0.00 N ATOM 32 CA GLU A 2 -2.808 0.899 -12.103 1.00 0.00 C ATOM 33 C GLU A 2 -2.845 2.399 -11.834 1.00 0.00 C ATOM 34 O GLU A 2 -3.143 2.840 -10.746 1.00 0.00 O ATOM 35 CB GLU A 2 -1.703 0.252 -11.272 1.00 0.00 C ATOM 36 CG GLU A 2 -1.840 -1.262 -11.381 1.00 0.00 C ATOM 37 CD GLU A 2 -0.745 -1.943 -10.557 1.00 0.00 C ATOM 38 OE1 GLU A 2 0.122 -1.240 -10.065 1.00 0.00 O ATOM 39 OE2 GLU A 2 -0.794 -3.155 -10.431 1.00 0.00 O ATOM 0 H GLU A 2 -1.594 0.354 -13.766 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.767 0.458 -11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.724 0.571 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.779 0.565 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.822 -1.574 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.766 -1.569 -12.424 1.00 0.00 H new ATOM 46 N LEU A 3 -2.520 3.183 -12.821 1.00 0.00 N ATOM 47 CA LEU A 3 -2.501 4.665 -12.644 1.00 0.00 C ATOM 48 C LEU A 3 -3.723 5.119 -11.844 1.00 0.00 C ATOM 49 O LEU A 3 -3.717 6.160 -11.231 1.00 0.00 O ATOM 50 CB LEU A 3 -2.532 5.335 -14.023 1.00 0.00 C ATOM 51 CG LEU A 3 -2.263 6.838 -13.887 1.00 0.00 C ATOM 52 CD1 LEU A 3 -0.799 7.080 -13.462 1.00 0.00 C ATOM 53 CD2 LEU A 3 -2.541 7.519 -15.236 1.00 0.00 C ATOM 0 H LEU A 3 -2.264 2.860 -13.754 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.596 4.947 -12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.784 4.881 -14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.502 5.173 -14.493 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.917 7.258 -13.123 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.620 8.151 -13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.614 6.596 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.128 6.664 -14.214 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.352 8.589 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.887 7.096 -15.999 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.581 7.356 -15.519 1.00 0.00 H new ATOM 65 N GLU A 4 -4.767 4.352 -11.846 1.00 0.00 N ATOM 66 CA GLU A 4 -5.981 4.754 -11.080 1.00 0.00 C ATOM 67 C GLU A 4 -5.715 4.665 -9.577 1.00 0.00 C ATOM 68 O GLU A 4 -6.165 5.495 -8.812 1.00 0.00 O ATOM 69 CB GLU A 4 -7.148 3.839 -11.457 1.00 0.00 C ATOM 70 CG GLU A 4 -8.402 4.246 -10.678 1.00 0.00 C ATOM 71 CD GLU A 4 -9.590 3.405 -11.148 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.443 2.712 -12.141 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.626 3.470 -10.507 1.00 0.00 O ATOM 0 H GLU A 4 -4.838 3.464 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.232 5.785 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.339 3.901 -12.528 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.894 2.802 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.242 4.103 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.610 5.305 -10.830 1.00 0.00 H new ATOM 80 N LYS A 5 -5.007 3.663 -9.134 1.00 0.00 N ATOM 81 CA LYS A 5 -4.753 3.547 -7.667 1.00 0.00 C ATOM 82 C LYS A 5 -3.707 4.576 -7.254 1.00 0.00 C ATOM 83 O LYS A 5 -3.719 5.077 -6.151 1.00 0.00 O ATOM 84 CB LYS A 5 -4.284 2.121 -7.304 1.00 0.00 C ATOM 85 CG LYS A 5 -2.786 1.929 -7.595 1.00 0.00 C ATOM 86 CD LYS A 5 -2.401 0.465 -7.378 1.00 0.00 C ATOM 87 CE LYS A 5 -0.875 0.340 -7.400 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.484 -1.093 -7.274 1.00 0.00 N ATOM 0 H LYS A 5 -4.598 2.929 -9.712 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.681 3.740 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.478 1.931 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.862 1.391 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.564 2.225 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.194 2.571 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.794 0.110 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.841 -0.159 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.480 0.754 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.442 0.918 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.206 -1.198 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.327 -1.666 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.059 -1.416 -8.166 1.00 0.00 H new ATOM 102 N ALA A 6 -2.783 4.870 -8.121 1.00 0.00 N ATOM 103 CA ALA A 6 -1.721 5.842 -7.763 1.00 0.00 C ATOM 104 C ALA A 6 -2.298 7.245 -7.625 1.00 0.00 C ATOM 105 O ALA A 6 -1.994 7.950 -6.693 1.00 0.00 O ATOM 106 CB ALA A 6 -0.642 5.841 -8.848 1.00 0.00 C ATOM 0 H ALA A 6 -2.718 4.479 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.288 5.547 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.139 6.555 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.209 4.844 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.086 6.123 -9.803 1.00 0.00 H new ATOM 112 N MET A 7 -3.122 7.659 -8.539 1.00 0.00 N ATOM 113 CA MET A 7 -3.698 9.030 -8.445 1.00 0.00 C ATOM 114 C MET A 7 -4.513 9.172 -7.162 1.00 0.00 C ATOM 115 O MET A 7 -4.480 10.192 -6.493 1.00 0.00 O ATOM 116 CB MET A 7 -4.600 9.297 -9.656 1.00 0.00 C ATOM 117 CG MET A 7 -3.749 9.434 -10.922 1.00 0.00 C ATOM 118 SD MET A 7 -4.786 10.042 -12.278 1.00 0.00 S ATOM 119 CE MET A 7 -3.465 10.753 -13.294 1.00 0.00 C ATOM 0 H MET A 7 -3.423 7.113 -9.346 1.00 0.00 H new ATOM 0 HA MET A 7 -2.883 9.754 -8.431 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.315 8.482 -9.774 1.00 0.00 H new ATOM 0 HB3 MET A 7 -5.178 10.207 -9.496 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.922 10.121 -10.745 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.312 8.471 -11.186 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.861 11.012 -14.276 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.077 11.650 -12.811 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.661 10.025 -13.407 1.00 0.00 H new ATOM 129 N VAL A 8 -5.241 8.158 -6.815 1.00 0.00 N ATOM 130 CA VAL A 8 -6.068 8.223 -5.579 1.00 0.00 C ATOM 131 C VAL A 8 -5.158 8.280 -4.351 1.00 0.00 C ATOM 132 O VAL A 8 -5.471 8.913 -3.364 1.00 0.00 O ATOM 133 CB VAL A 8 -6.977 6.991 -5.503 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.654 6.930 -4.129 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.047 7.088 -6.592 1.00 0.00 C ATOM 0 H VAL A 8 -5.303 7.281 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.686 9.121 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.380 6.091 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.299 6.053 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.893 6.865 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.252 7.829 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.697 6.214 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.640 7.990 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.568 7.129 -7.570 1.00 0.00 H new ATOM 145 N ALA A 9 -4.051 7.595 -4.395 1.00 0.00 N ATOM 146 CA ALA A 9 -3.129 7.575 -3.220 1.00 0.00 C ATOM 147 C ALA A 9 -2.473 8.940 -3.008 1.00 0.00 C ATOM 148 O ALA A 9 -2.245 9.350 -1.890 1.00 0.00 O ATOM 149 CB ALA A 9 -2.043 6.530 -3.436 1.00 0.00 C ATOM 0 H ALA A 9 -3.741 7.045 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.717 7.329 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.373 6.519 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.501 5.548 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.477 6.774 -4.335 1.00 0.00 H new ATOM 155 N LEU A 10 -2.153 9.649 -4.055 1.00 0.00 N ATOM 156 CA LEU A 10 -1.500 10.974 -3.853 1.00 0.00 C ATOM 157 C LEU A 10 -2.447 11.846 -3.044 1.00 0.00 C ATOM 158 O LEU A 10 -2.044 12.581 -2.165 1.00 0.00 O ATOM 159 CB LEU A 10 -1.244 11.658 -5.200 1.00 0.00 C ATOM 160 CG LEU A 10 -0.326 10.805 -6.083 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.030 11.574 -7.375 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.987 10.494 -5.346 1.00 0.00 C ATOM 0 H LEU A 10 -2.311 9.376 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.549 10.834 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.191 11.828 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.791 12.636 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.820 9.862 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.623 10.977 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.964 11.776 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.462 12.516 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.628 9.888 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.496 11.426 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.769 9.947 -4.429 1.00 0.00 H new ATOM 174 N ILE A 11 -3.707 11.762 -3.339 1.00 0.00 N ATOM 175 CA ILE A 11 -4.706 12.573 -2.599 1.00 0.00 C ATOM 176 C ILE A 11 -4.830 12.092 -1.140 1.00 0.00 C ATOM 177 O ILE A 11 -4.978 12.888 -0.233 1.00 0.00 O ATOM 178 CB ILE A 11 -6.057 12.478 -3.326 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.967 13.272 -4.643 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.166 13.051 -2.439 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.141 12.931 -5.568 1.00 0.00 C ATOM 0 H ILE A 11 -4.093 11.161 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.382 13.613 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.291 11.435 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.966 14.341 -4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.026 13.047 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.121 12.981 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.217 12.485 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.950 14.096 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.055 13.504 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.125 11.866 -5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.079 13.180 -5.072 1.00 0.00 H new ATOM 193 N ASP A 12 -4.802 10.806 -0.906 1.00 0.00 N ATOM 194 CA ASP A 12 -4.956 10.294 0.495 1.00 0.00 C ATOM 195 C ASP A 12 -3.852 10.815 1.431 1.00 0.00 C ATOM 196 O ASP A 12 -4.122 11.266 2.526 1.00 0.00 O ATOM 197 CB ASP A 12 -4.899 8.765 0.475 1.00 0.00 C ATOM 198 CG ASP A 12 -5.047 8.226 1.900 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.178 9.030 2.807 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.012 7.017 2.061 1.00 0.00 O ATOM 0 H ASP A 12 -4.680 10.087 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.914 10.650 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.693 8.370 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.954 8.432 0.046 1.00 0.00 H new ATOM 205 N VAL A 13 -2.618 10.720 1.031 1.00 0.00 N ATOM 206 CA VAL A 13 -1.497 11.167 1.923 1.00 0.00 C ATOM 207 C VAL A 13 -1.504 12.697 2.083 1.00 0.00 C ATOM 208 O VAL A 13 -1.252 13.226 3.157 1.00 0.00 O ATOM 209 CB VAL A 13 -0.149 10.644 1.331 1.00 0.00 C ATOM 210 CG1 VAL A 13 0.835 11.786 1.023 1.00 0.00 C ATOM 211 CG2 VAL A 13 0.524 9.677 2.320 1.00 0.00 C ATOM 0 H VAL A 13 -2.329 10.352 0.125 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.625 10.751 2.922 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.392 10.135 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.756 11.372 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.388 12.465 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.058 12.331 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.463 9.319 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.723 10.196 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.136 8.830 2.507 1.00 0.00 H new ATOM 221 N PHE A 14 -1.769 13.413 1.032 1.00 0.00 N ATOM 222 CA PHE A 14 -1.762 14.894 1.138 1.00 0.00 C ATOM 223 C PHE A 14 -2.773 15.335 2.187 1.00 0.00 C ATOM 224 O PHE A 14 -2.543 16.275 2.906 1.00 0.00 O ATOM 225 CB PHE A 14 -2.111 15.522 -0.214 1.00 0.00 C ATOM 226 CG PHE A 14 -2.184 17.026 -0.070 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.011 17.790 -0.090 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.426 17.656 0.089 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.080 19.181 0.047 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.494 19.047 0.226 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.321 19.810 0.205 1.00 0.00 C ATOM 0 H PHE A 14 -1.989 13.040 0.108 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.766 15.224 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.359 15.254 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.065 15.134 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.053 17.306 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.331 17.067 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.175 19.770 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.451 19.532 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.373 20.884 0.311 1.00 0.00 H new ATOM 241 N HIS A 15 -3.889 14.676 2.282 1.00 0.00 N ATOM 242 CA HIS A 15 -4.896 15.086 3.298 1.00 0.00 C ATOM 243 C HIS A 15 -4.382 14.774 4.709 1.00 0.00 C ATOM 244 O HIS A 15 -4.786 15.401 5.668 1.00 0.00 O ATOM 245 CB HIS A 15 -6.217 14.341 3.050 1.00 0.00 C ATOM 246 CG HIS A 15 -6.964 14.986 1.912 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.215 16.351 1.876 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.533 14.470 0.773 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.909 16.607 0.751 1.00 0.00 C ATOM 250 NE2 HIS A 15 -8.128 15.495 0.047 1.00 0.00 N ATOM 0 H HIS A 15 -4.149 13.876 1.705 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.066 16.159 3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.017 13.295 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.828 14.356 3.952 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -6.926 17.036 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.520 13.429 0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.246 17.590 0.455 1.00 0.00 H new ATOM 259 N GLN A 16 -3.515 13.808 4.864 1.00 0.00 N ATOM 260 CA GLN A 16 -3.027 13.488 6.235 1.00 0.00 C ATOM 261 C GLN A 16 -2.334 14.707 6.859 1.00 0.00 C ATOM 262 O GLN A 16 -2.520 14.997 8.024 1.00 0.00 O ATOM 263 CB GLN A 16 -2.032 12.327 6.163 1.00 0.00 C ATOM 264 CG GLN A 16 -2.771 11.038 5.795 1.00 0.00 C ATOM 265 CD GLN A 16 -3.672 10.608 6.954 1.00 0.00 C ATOM 266 OE1 GLN A 16 -3.196 10.305 8.031 1.00 0.00 O ATOM 267 NE2 GLN A 16 -4.964 10.569 6.776 1.00 0.00 N ATOM 0 H GLN A 16 -3.129 13.236 4.113 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.881 13.212 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.262 12.541 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.527 12.208 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.368 11.194 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.054 10.249 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.362 10.823 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.576 10.284 7.541 1.00 0.00 H new ATOM 276 N TYR A 17 -1.518 15.416 6.112 1.00 0.00 N ATOM 277 CA TYR A 17 -0.800 16.606 6.706 1.00 0.00 C ATOM 278 C TYR A 17 -1.531 17.921 6.439 1.00 0.00 C ATOM 279 O TYR A 17 -1.418 18.863 7.197 1.00 0.00 O ATOM 280 CB TYR A 17 0.599 16.690 6.104 1.00 0.00 C ATOM 281 CG TYR A 17 1.415 15.570 6.671 1.00 0.00 C ATOM 282 CD1 TYR A 17 1.306 14.294 6.126 1.00 0.00 C ATOM 283 CD2 TYR A 17 2.247 15.802 7.765 1.00 0.00 C ATOM 284 CE1 TYR A 17 2.033 13.242 6.671 1.00 0.00 C ATOM 285 CE2 TYR A 17 2.973 14.752 8.321 1.00 0.00 C ATOM 286 CZ TYR A 17 2.869 13.466 7.776 1.00 0.00 C ATOM 287 OH TYR A 17 3.582 12.423 8.331 1.00 0.00 O ATOM 0 H TYR A 17 -1.316 15.231 5.130 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.759 16.462 7.786 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.551 16.615 5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.057 17.651 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.657 14.121 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.328 16.795 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.955 12.253 6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.615 14.929 9.171 1.00 0.00 H new ATOM 0 HH TYR A 17 3.154 11.573 8.097 1.00 0.00 H new ATOM 297 N SER A 18 -2.247 18.013 5.368 1.00 0.00 N ATOM 298 CA SER A 18 -2.942 19.286 5.058 1.00 0.00 C ATOM 299 C SER A 18 -3.912 19.618 6.192 1.00 0.00 C ATOM 300 O SER A 18 -4.045 20.755 6.598 1.00 0.00 O ATOM 301 CB SER A 18 -3.704 19.122 3.747 1.00 0.00 C ATOM 302 OG SER A 18 -2.779 18.799 2.719 1.00 0.00 O ATOM 0 H SER A 18 -2.384 17.264 4.690 1.00 0.00 H new ATOM 0 HA SER A 18 -2.221 20.097 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.453 18.336 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.236 20.041 3.502 1.00 0.00 H new ATOM 0 HG SER A 18 -3.050 19.237 1.885 1.00 0.00 H new ATOM 308 N GLY A 19 -4.584 18.630 6.710 1.00 0.00 N ATOM 309 CA GLY A 19 -5.543 18.875 7.827 1.00 0.00 C ATOM 310 C GLY A 19 -4.803 18.889 9.172 1.00 0.00 C ATOM 311 O GLY A 19 -5.416 18.967 10.218 1.00 0.00 O ATOM 0 H GLY A 19 -4.512 17.658 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.053 19.826 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.309 18.100 7.834 1.00 0.00 H new ATOM 315 N ARG A 20 -3.499 18.787 9.166 1.00 0.00 N ATOM 316 CA ARG A 20 -2.757 18.767 10.463 1.00 0.00 C ATOM 317 C ARG A 20 -3.012 20.059 11.252 1.00 0.00 C ATOM 318 O ARG A 20 -3.356 20.019 12.416 1.00 0.00 O ATOM 319 CB ARG A 20 -1.252 18.602 10.197 1.00 0.00 C ATOM 320 CG ARG A 20 -0.456 18.713 11.509 1.00 0.00 C ATOM 321 CD ARG A 20 -1.049 17.777 12.564 1.00 0.00 C ATOM 322 NE ARG A 20 -0.084 17.617 13.702 1.00 0.00 N ATOM 323 CZ ARG A 20 1.083 17.060 13.541 1.00 0.00 C ATOM 324 NH1 ARG A 20 1.401 16.504 12.403 1.00 0.00 N ATOM 325 NH2 ARG A 20 1.925 17.027 14.537 1.00 0.00 N ATOM 0 H ARG A 20 -2.920 18.717 8.329 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.113 17.925 11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.063 17.635 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.915 19.365 9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.589 18.459 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.477 19.741 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.994 18.179 12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.267 16.805 12.120 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.349 17.954 14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.734 16.503 11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.317 16.070 12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.668 17.436 15.436 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.840 16.592 14.417 1.00 0.00 H new ATOM 339 N GLU A 21 -2.859 21.203 10.631 1.00 0.00 N ATOM 340 CA GLU A 21 -3.106 22.498 11.351 1.00 0.00 C ATOM 341 C GLU A 21 -4.474 23.039 10.939 1.00 0.00 C ATOM 342 O GLU A 21 -4.897 24.089 11.380 1.00 0.00 O ATOM 343 CB GLU A 21 -2.031 23.525 10.982 1.00 0.00 C ATOM 344 CG GLU A 21 -0.647 22.981 11.344 1.00 0.00 C ATOM 345 CD GLU A 21 -0.566 22.751 12.854 1.00 0.00 C ATOM 346 OE1 GLU A 21 -1.198 23.499 13.582 1.00 0.00 O ATOM 347 OE2 GLU A 21 0.127 21.832 13.257 1.00 0.00 O ATOM 0 H GLU A 21 -2.574 21.299 9.656 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.074 22.322 12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.077 23.746 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.213 24.461 11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.462 22.047 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.125 23.684 11.031 1.00 0.00 H new ATOM 354 N GLY A 22 -5.166 22.329 10.088 1.00 0.00 N ATOM 355 CA GLY A 22 -6.511 22.792 9.632 1.00 0.00 C ATOM 356 C GLY A 22 -6.386 23.478 8.270 1.00 0.00 C ATOM 357 O GLY A 22 -7.371 23.871 7.677 1.00 0.00 O ATOM 0 H GLY A 22 -4.857 21.444 9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.193 21.945 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.935 23.483 10.361 1.00 0.00 H new ATOM 361 N ASP A 23 -5.190 23.618 7.755 1.00 0.00 N ATOM 362 CA ASP A 23 -5.038 24.266 6.426 1.00 0.00 C ATOM 363 C ASP A 23 -5.307 23.217 5.346 1.00 0.00 C ATOM 364 O ASP A 23 -4.421 22.803 4.629 1.00 0.00 O ATOM 365 CB ASP A 23 -3.614 24.804 6.290 1.00 0.00 C ATOM 366 CG ASP A 23 -3.356 25.837 7.389 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.179 26.723 7.548 1.00 0.00 O ATOM 368 OD2 ASP A 23 -2.341 25.721 8.056 1.00 0.00 O ATOM 0 H ASP A 23 -4.322 23.313 8.196 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.740 25.093 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.896 23.988 6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.477 25.258 5.309 1.00 0.00 H new ATOM 373 N LYS A 24 -6.527 22.773 5.240 1.00 0.00 N ATOM 374 CA LYS A 24 -6.866 21.738 4.223 1.00 0.00 C ATOM 375 C LYS A 24 -6.779 22.333 2.811 1.00 0.00 C ATOM 376 O LYS A 24 -6.396 21.665 1.871 1.00 0.00 O ATOM 377 CB LYS A 24 -8.286 21.225 4.477 1.00 0.00 C ATOM 378 CG LYS A 24 -8.307 20.395 5.766 1.00 0.00 C ATOM 379 CD LYS A 24 -9.662 19.686 5.915 1.00 0.00 C ATOM 380 CE LYS A 24 -10.785 20.709 6.122 1.00 0.00 C ATOM 381 NZ LYS A 24 -10.366 21.724 7.129 1.00 0.00 N ATOM 0 H LYS A 24 -7.309 23.084 5.817 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.157 20.914 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.977 22.063 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.621 20.618 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.503 19.659 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.129 21.040 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.866 19.089 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.628 18.999 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.022 21.198 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.691 20.204 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.207 22.197 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.848 21.255 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.750 22.429 6.676 1.00 0.00 H new ATOM 395 N HIS A 25 -7.153 23.573 2.652 1.00 0.00 N ATOM 396 CA HIS A 25 -7.118 24.205 1.297 1.00 0.00 C ATOM 397 C HIS A 25 -5.688 24.608 0.908 1.00 0.00 C ATOM 398 O HIS A 25 -5.396 24.812 -0.254 1.00 0.00 O ATOM 399 CB HIS A 25 -8.003 25.455 1.301 1.00 0.00 C ATOM 400 CG HIS A 25 -9.453 25.056 1.337 1.00 0.00 C ATOM 401 ND1 HIS A 25 -10.127 24.805 2.524 1.00 0.00 N ATOM 402 CD2 HIS A 25 -10.375 24.871 0.337 1.00 0.00 C ATOM 403 CE1 HIS A 25 -11.398 24.489 2.211 1.00 0.00 C ATOM 404 NE2 HIS A 25 -11.598 24.514 0.892 1.00 0.00 N ATOM 0 H HIS A 25 -7.483 24.180 3.403 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.483 23.478 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.766 26.076 2.165 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.804 26.055 0.413 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.180 24.985 -0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.160 24.246 2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.466 24.313 0.395 1.00 0.00 H new ATOM 413 N LYS A 26 -4.799 24.746 1.857 1.00 0.00 N ATOM 414 CA LYS A 26 -3.397 25.159 1.518 1.00 0.00 C ATOM 415 C LYS A 26 -2.406 24.444 2.437 1.00 0.00 C ATOM 416 O LYS A 26 -2.756 23.976 3.499 1.00 0.00 O ATOM 417 CB LYS A 26 -3.275 26.676 1.696 1.00 0.00 C ATOM 418 CG LYS A 26 -3.434 27.032 3.174 1.00 0.00 C ATOM 419 CD LYS A 26 -3.562 28.547 3.330 1.00 0.00 C ATOM 420 CE LYS A 26 -3.449 28.911 4.810 1.00 0.00 C ATOM 421 NZ LYS A 26 -3.570 30.386 4.972 1.00 0.00 N ATOM 0 H LYS A 26 -4.978 24.592 2.849 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.171 24.889 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.307 27.019 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.037 27.184 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.316 26.539 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.575 26.670 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.782 29.051 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.518 28.886 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.230 28.407 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.493 28.568 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.493 30.632 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.810 30.857 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.492 30.701 4.608 1.00 0.00 H new ATOM 435 N LEU A 27 -1.167 24.354 2.025 1.00 0.00 N ATOM 436 CA LEU A 27 -0.124 23.665 2.851 1.00 0.00 C ATOM 437 C LEU A 27 0.959 24.678 3.222 1.00 0.00 C ATOM 438 O LEU A 27 1.460 25.386 2.377 1.00 0.00 O ATOM 439 CB LEU A 27 0.499 22.541 2.014 1.00 0.00 C ATOM 440 CG LEU A 27 1.392 21.648 2.892 1.00 0.00 C ATOM 441 CD1 LEU A 27 0.537 20.655 3.692 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.364 20.868 2.000 1.00 0.00 C ATOM 0 H LEU A 27 -0.828 24.733 1.141 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.568 23.252 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.288 21.941 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.088 22.968 1.202 1.00 0.00 H new ATOM 0 HG LEU A 27 1.945 22.280 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.185 20.031 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.154 21.203 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.027 20.025 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.998 20.234 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.800 20.247 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.986 21.567 1.441 1.00 0.00 H new ATOM 454 N LYS A 28 1.323 24.768 4.479 1.00 0.00 N ATOM 455 CA LYS A 28 2.372 25.750 4.889 1.00 0.00 C ATOM 456 C LYS A 28 3.720 25.042 5.028 1.00 0.00 C ATOM 457 O LYS A 28 3.791 23.905 5.449 1.00 0.00 O ATOM 458 CB LYS A 28 1.969 26.371 6.233 1.00 0.00 C ATOM 459 CG LYS A 28 3.033 27.370 6.696 1.00 0.00 C ATOM 460 CD LYS A 28 2.527 28.119 7.927 1.00 0.00 C ATOM 461 CE LYS A 28 3.611 29.078 8.420 1.00 0.00 C ATOM 462 NZ LYS A 28 3.866 30.116 7.381 1.00 0.00 N ATOM 0 H LYS A 28 0.938 24.204 5.237 1.00 0.00 H new ATOM 0 HA LYS A 28 2.463 26.531 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.007 26.873 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.845 25.588 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.960 26.847 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.258 28.075 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.620 28.672 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.266 27.412 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.298 29.550 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.528 28.529 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.554 30.807 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.247 29.664 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.976 30.602 7.150 1.00 0.00 H new ATOM 476 N LYS A 29 4.790 25.715 4.674 1.00 0.00 N ATOM 477 CA LYS A 29 6.149 25.115 4.779 1.00 0.00 C ATOM 478 C LYS A 29 6.263 24.330 6.082 1.00 0.00 C ATOM 479 O LYS A 29 7.083 23.449 6.227 1.00 0.00 O ATOM 480 CB LYS A 29 7.191 26.242 4.773 1.00 0.00 C ATOM 481 CG LYS A 29 7.123 27.042 6.080 1.00 0.00 C ATOM 482 CD LYS A 29 8.014 28.279 5.960 1.00 0.00 C ATOM 483 CE LYS A 29 8.128 28.956 7.327 1.00 0.00 C ATOM 484 NZ LYS A 29 6.813 29.553 7.694 1.00 0.00 N ATOM 0 H LYS A 29 4.773 26.668 4.312 1.00 0.00 H new ATOM 0 HA LYS A 29 6.320 24.443 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.189 25.822 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.015 26.904 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.094 27.339 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.450 26.424 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.002 27.995 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.595 28.973 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.433 28.230 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.896 29.729 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.906 30.587 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.108 29.312 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.506 29.177 8.614 1.00 0.00 H new ATOM 498 N SER A 30 5.446 24.668 7.031 1.00 0.00 N ATOM 499 CA SER A 30 5.491 23.966 8.344 1.00 0.00 C ATOM 500 C SER A 30 4.927 22.557 8.191 1.00 0.00 C ATOM 501 O SER A 30 5.576 21.578 8.502 1.00 0.00 O ATOM 502 CB SER A 30 4.659 24.742 9.365 1.00 0.00 C ATOM 503 OG SER A 30 4.699 24.065 10.613 1.00 0.00 O ATOM 0 H SER A 30 4.743 25.404 6.958 1.00 0.00 H new ATOM 0 HA SER A 30 6.524 23.906 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.048 25.754 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.629 24.832 9.020 1.00 0.00 H new ATOM 0 HG SER A 30 4.168 24.560 11.271 1.00 0.00 H new ATOM 509 N GLU A 31 3.726 22.448 7.699 1.00 0.00 N ATOM 510 CA GLU A 31 3.123 21.104 7.510 1.00 0.00 C ATOM 511 C GLU A 31 3.966 20.331 6.503 1.00 0.00 C ATOM 512 O GLU A 31 4.109 19.131 6.585 1.00 0.00 O ATOM 513 CB GLU A 31 1.700 21.238 6.974 1.00 0.00 C ATOM 514 CG GLU A 31 0.789 21.806 8.059 1.00 0.00 C ATOM 515 CD GLU A 31 -0.632 21.903 7.506 1.00 0.00 C ATOM 516 OE1 GLU A 31 -0.949 21.133 6.618 1.00 0.00 O ATOM 517 OE2 GLU A 31 -1.373 22.749 7.968 1.00 0.00 O ATOM 0 H GLU A 31 3.137 23.232 7.420 1.00 0.00 H new ATOM 0 HA GLU A 31 3.094 20.580 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.691 21.890 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.331 20.265 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.808 21.166 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.141 22.789 8.371 1.00 0.00 H new ATOM 524 N LEU A 32 4.516 21.021 5.545 1.00 0.00 N ATOM 525 CA LEU A 32 5.346 20.347 4.512 1.00 0.00 C ATOM 526 C LEU A 32 6.531 19.652 5.180 1.00 0.00 C ATOM 527 O LEU A 32 6.845 18.526 4.872 1.00 0.00 O ATOM 528 CB LEU A 32 5.853 21.405 3.529 1.00 0.00 C ATOM 529 CG LEU A 32 6.811 20.786 2.504 1.00 0.00 C ATOM 530 CD1 LEU A 32 6.148 19.586 1.813 1.00 0.00 C ATOM 531 CD2 LEU A 32 7.163 21.852 1.459 1.00 0.00 C ATOM 0 H LEU A 32 4.425 22.031 5.433 1.00 0.00 H new ATOM 0 HA LEU A 32 4.753 19.601 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.009 21.862 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.362 22.200 4.075 1.00 0.00 H new ATOM 0 HG LEU A 32 7.713 20.440 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.839 19.156 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.890 18.834 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.244 19.915 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.844 21.428 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.253 22.188 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.642 22.699 1.950 1.00 0.00 H new ATOM 543 N LYS A 33 7.186 20.311 6.092 1.00 0.00 N ATOM 544 CA LYS A 33 8.352 19.678 6.786 1.00 0.00 C ATOM 545 C LYS A 33 7.900 18.452 7.575 1.00 0.00 C ATOM 546 O LYS A 33 8.586 17.451 7.630 1.00 0.00 O ATOM 547 CB LYS A 33 8.988 20.689 7.743 1.00 0.00 C ATOM 548 CG LYS A 33 10.226 20.071 8.407 1.00 0.00 C ATOM 549 CD LYS A 33 10.853 21.092 9.355 1.00 0.00 C ATOM 550 CE LYS A 33 12.095 20.490 10.012 1.00 0.00 C ATOM 551 NZ LYS A 33 12.854 21.570 10.702 1.00 0.00 N ATOM 0 H LYS A 33 6.968 21.262 6.391 1.00 0.00 H new ATOM 0 HA LYS A 33 9.080 19.369 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.268 21.591 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.267 20.986 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.948 19.171 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.948 19.771 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.121 21.995 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.132 21.385 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.806 19.719 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.723 20.010 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.368 21.170 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.532 21.996 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.193 22.299 11.038 1.00 0.00 H new ATOM 565 N GLU A 34 6.771 18.527 8.212 1.00 0.00 N ATOM 566 CA GLU A 34 6.303 17.380 9.020 1.00 0.00 C ATOM 567 C GLU A 34 5.989 16.206 8.089 1.00 0.00 C ATOM 568 O GLU A 34 6.108 15.068 8.463 1.00 0.00 O ATOM 569 CB GLU A 34 5.067 17.800 9.823 1.00 0.00 C ATOM 570 CG GLU A 34 4.904 16.894 11.047 1.00 0.00 C ATOM 571 CD GLU A 34 6.010 17.202 12.058 1.00 0.00 C ATOM 572 OE1 GLU A 34 6.775 18.118 11.807 1.00 0.00 O ATOM 573 OE2 GLU A 34 6.074 16.516 13.065 1.00 0.00 O ATOM 0 H GLU A 34 6.151 19.337 8.207 1.00 0.00 H new ATOM 0 HA GLU A 34 7.076 17.066 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.165 18.838 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.178 17.740 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.926 17.051 11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.951 15.847 10.747 1.00 0.00 H new ATOM 580 N LEU A 35 5.600 16.474 6.876 1.00 0.00 N ATOM 581 CA LEU A 35 5.318 15.362 5.923 1.00 0.00 C ATOM 582 C LEU A 35 6.638 14.718 5.510 1.00 0.00 C ATOM 583 O LEU A 35 6.767 13.513 5.431 1.00 0.00 O ATOM 584 CB LEU A 35 4.617 15.926 4.677 1.00 0.00 C ATOM 585 CG LEU A 35 4.598 14.867 3.533 1.00 0.00 C ATOM 586 CD1 LEU A 35 3.259 14.917 2.786 1.00 0.00 C ATOM 587 CD2 LEU A 35 5.733 15.146 2.525 1.00 0.00 C ATOM 0 H LEU A 35 5.465 17.413 6.501 1.00 0.00 H new ATOM 0 HA LEU A 35 4.676 14.621 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.597 16.217 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.132 16.825 4.339 1.00 0.00 H new ATOM 0 HG LEU A 35 4.736 13.883 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.259 14.173 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.446 14.705 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.119 15.909 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.707 14.399 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.600 16.138 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.694 15.099 3.037 1.00 0.00 H new ATOM 599 N ILE A 36 7.605 15.534 5.214 1.00 0.00 N ATOM 600 CA ILE A 36 8.922 15.023 4.763 1.00 0.00 C ATOM 601 C ILE A 36 9.657 14.333 5.913 1.00 0.00 C ATOM 602 O ILE A 36 10.176 13.245 5.762 1.00 0.00 O ATOM 603 CB ILE A 36 9.743 16.214 4.250 1.00 0.00 C ATOM 604 CG1 ILE A 36 8.995 16.867 3.081 1.00 0.00 C ATOM 605 CG2 ILE A 36 11.122 15.746 3.780 1.00 0.00 C ATOM 606 CD1 ILE A 36 9.662 18.195 2.715 1.00 0.00 C ATOM 0 H ILE A 36 7.536 16.550 5.267 1.00 0.00 H new ATOM 0 HA ILE A 36 8.782 14.288 3.970 1.00 0.00 H new ATOM 0 HB ILE A 36 9.876 16.934 5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.995 16.200 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.953 17.036 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.693 16.601 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.651 15.281 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.005 15.021 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.126 18.654 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.638 18.863 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.697 18.014 2.424 1.00 0.00 H new ATOM 618 N ASN A 37 9.731 14.963 7.051 1.00 0.00 N ATOM 619 CA ASN A 37 10.462 14.348 8.192 1.00 0.00 C ATOM 620 C ASN A 37 9.640 13.252 8.880 1.00 0.00 C ATOM 621 O ASN A 37 10.187 12.326 9.446 1.00 0.00 O ATOM 622 CB ASN A 37 10.799 15.443 9.205 1.00 0.00 C ATOM 623 CG ASN A 37 11.816 16.405 8.588 1.00 0.00 C ATOM 624 OD1 ASN A 37 12.543 16.040 7.685 1.00 0.00 O ATOM 625 ND2 ASN A 37 11.896 17.628 9.034 1.00 0.00 N ATOM 0 H ASN A 37 9.317 15.876 7.240 1.00 0.00 H new ATOM 0 HA ASN A 37 11.369 13.883 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.896 15.983 9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.205 15.001 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.568 18.277 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.286 17.935 9.792 1.00 0.00 H new ATOM 632 N ASN A 38 8.343 13.368 8.879 1.00 0.00 N ATOM 633 CA ASN A 38 7.487 12.351 9.588 1.00 0.00 C ATOM 634 C ASN A 38 6.913 11.285 8.638 1.00 0.00 C ATOM 635 O ASN A 38 6.826 10.127 8.995 1.00 0.00 O ATOM 636 CB ASN A 38 6.321 13.075 10.291 1.00 0.00 C ATOM 637 CG ASN A 38 5.872 12.272 11.517 1.00 0.00 C ATOM 638 OD1 ASN A 38 6.218 11.018 11.615 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 5.204 12.791 12.389 1.00 0.00 N flip ATOM 0 H ASN A 38 7.829 14.120 8.420 1.00 0.00 H new ATOM 0 HA ASN A 38 8.125 11.837 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.632 14.075 10.594 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.487 13.197 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.935 13.772 12.310 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.912 12.246 13.200 1.00 0.00 H new ATOM 646 N GLU A 39 6.477 11.647 7.456 1.00 0.00 N ATOM 647 CA GLU A 39 5.869 10.610 6.553 1.00 0.00 C ATOM 648 C GLU A 39 6.948 9.923 5.715 1.00 0.00 C ATOM 649 O GLU A 39 6.737 8.842 5.201 1.00 0.00 O ATOM 650 CB GLU A 39 4.835 11.264 5.616 1.00 0.00 C ATOM 651 CG GLU A 39 3.855 10.197 5.103 1.00 0.00 C ATOM 652 CD GLU A 39 2.839 9.863 6.204 1.00 0.00 C ATOM 653 OE1 GLU A 39 3.088 10.223 7.342 1.00 0.00 O ATOM 654 OE2 GLU A 39 1.824 9.266 5.889 1.00 0.00 O ATOM 0 H GLU A 39 6.512 12.594 7.080 1.00 0.00 H new ATOM 0 HA GLU A 39 5.376 9.864 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.292 12.046 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.341 11.741 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.338 10.560 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.399 9.299 4.811 1.00 0.00 H new ATOM 661 N LEU A 40 8.098 10.530 5.577 1.00 0.00 N ATOM 662 CA LEU A 40 9.201 9.906 4.773 1.00 0.00 C ATOM 663 C LEU A 40 10.378 9.634 5.713 1.00 0.00 C ATOM 664 O LEU A 40 11.504 9.991 5.436 1.00 0.00 O ATOM 665 CB LEU A 40 9.645 10.862 3.652 1.00 0.00 C ATOM 666 CG LEU A 40 8.435 11.583 3.036 1.00 0.00 C ATOM 667 CD1 LEU A 40 8.920 12.572 1.964 1.00 0.00 C ATOM 668 CD2 LEU A 40 7.497 10.562 2.384 1.00 0.00 C ATOM 0 H LEU A 40 8.325 11.436 5.987 1.00 0.00 H new ATOM 0 HA LEU A 40 8.853 8.979 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.346 11.595 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.173 10.303 2.879 1.00 0.00 H new ATOM 0 HG LEU A 40 7.902 12.118 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.063 13.084 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.586 13.305 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.455 12.030 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.642 11.079 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.032 10.024 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.149 9.855 3.137 1.00 0.00 H new ATOM 680 N SER A 41 10.111 9.032 6.840 1.00 0.00 N ATOM 681 CA SER A 41 11.195 8.763 7.829 1.00 0.00 C ATOM 682 C SER A 41 12.293 7.871 7.233 1.00 0.00 C ATOM 683 O SER A 41 13.462 8.085 7.486 1.00 0.00 O ATOM 684 CB SER A 41 10.591 8.072 9.051 1.00 0.00 C ATOM 685 OG SER A 41 10.141 6.774 8.682 1.00 0.00 O ATOM 0 H SER A 41 9.184 8.713 7.120 1.00 0.00 H new ATOM 0 HA SER A 41 11.648 9.714 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.333 8.000 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.761 8.660 9.442 1.00 0.00 H new ATOM 0 HG SER A 41 9.755 6.327 9.464 1.00 0.00 H new ATOM 691 N HIS A 42 11.940 6.868 6.463 1.00 0.00 N ATOM 692 CA HIS A 42 12.984 5.958 5.875 1.00 0.00 C ATOM 693 C HIS A 42 12.772 5.801 4.368 1.00 0.00 C ATOM 694 O HIS A 42 13.671 5.421 3.645 1.00 0.00 O ATOM 695 CB HIS A 42 12.877 4.582 6.535 1.00 0.00 C ATOM 696 CG HIS A 42 13.930 3.675 5.964 1.00 0.00 C ATOM 697 ND1 HIS A 42 13.763 3.027 4.749 1.00 0.00 N ATOM 698 CD2 HIS A 42 15.168 3.298 6.425 1.00 0.00 C ATOM 699 CE1 HIS A 42 14.873 2.302 4.520 1.00 0.00 C ATOM 700 NE2 HIS A 42 15.757 2.432 5.510 1.00 0.00 N ATOM 0 H HIS A 42 10.978 6.638 6.215 1.00 0.00 H new ATOM 0 HA HIS A 42 13.968 6.391 6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.004 4.672 7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.886 4.160 6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.614 3.623 7.353 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.029 1.691 3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.673 1.989 5.581 1.00 0.00 H new ATOM 709 N PHE A 43 11.594 6.073 3.887 1.00 0.00 N ATOM 710 CA PHE A 43 11.334 5.920 2.428 1.00 0.00 C ATOM 711 C PHE A 43 12.211 6.904 1.634 1.00 0.00 C ATOM 712 O PHE A 43 12.717 6.580 0.578 1.00 0.00 O ATOM 713 CB PHE A 43 9.840 6.153 2.157 1.00 0.00 C ATOM 714 CG PHE A 43 9.535 6.224 0.667 1.00 0.00 C ATOM 715 CD1 PHE A 43 10.182 5.385 -0.261 1.00 0.00 C ATOM 716 CD2 PHE A 43 8.577 7.141 0.215 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.868 5.475 -1.623 1.00 0.00 C ATOM 718 CE2 PHE A 43 8.267 7.227 -1.145 1.00 0.00 C ATOM 719 CZ PHE A 43 8.912 6.395 -2.065 1.00 0.00 C ATOM 0 H PHE A 43 10.799 6.395 4.439 1.00 0.00 H new ATOM 0 HA PHE A 43 11.591 4.911 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.260 5.348 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.525 7.080 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.920 4.673 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.075 7.785 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.366 4.832 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.528 7.937 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.672 6.463 -3.116 1.00 0.00 H new ATOM 729 N LEU A 44 12.403 8.102 2.138 1.00 0.00 N ATOM 730 CA LEU A 44 13.257 9.109 1.424 1.00 0.00 C ATOM 731 C LEU A 44 14.116 9.831 2.464 1.00 0.00 C ATOM 732 O LEU A 44 13.756 9.906 3.622 1.00 0.00 O ATOM 733 CB LEU A 44 12.361 10.132 0.717 1.00 0.00 C ATOM 734 CG LEU A 44 13.195 11.045 -0.199 1.00 0.00 C ATOM 735 CD1 LEU A 44 13.685 10.276 -1.438 1.00 0.00 C ATOM 736 CD2 LEU A 44 12.328 12.229 -0.636 1.00 0.00 C ATOM 0 H LEU A 44 12.003 8.427 3.018 1.00 0.00 H new ATOM 0 HA LEU A 44 13.886 8.611 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.603 9.614 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.834 10.734 1.457 1.00 0.00 H new ATOM 0 HG LEU A 44 14.068 11.399 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.272 10.942 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.303 9.435 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.827 9.905 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.908 12.884 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.456 11.861 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.003 12.786 0.243 1.00 0.00 H new ATOM 748 N GLU A 45 15.241 10.371 2.080 1.00 0.00 N ATOM 749 CA GLU A 45 16.076 11.079 3.086 1.00 0.00 C ATOM 750 C GLU A 45 15.271 12.245 3.656 1.00 0.00 C ATOM 751 O GLU A 45 14.949 13.194 2.968 1.00 0.00 O ATOM 752 CB GLU A 45 17.355 11.611 2.434 1.00 0.00 C ATOM 753 CG GLU A 45 18.224 12.296 3.496 1.00 0.00 C ATOM 754 CD GLU A 45 19.501 12.826 2.843 1.00 0.00 C ATOM 755 OE1 GLU A 45 19.716 12.528 1.680 1.00 0.00 O ATOM 756 OE2 GLU A 45 20.246 13.515 3.520 1.00 0.00 O ATOM 0 H GLU A 45 15.612 10.353 1.130 1.00 0.00 H new ATOM 0 HA GLU A 45 16.352 10.387 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.906 10.793 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.106 12.317 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.673 13.114 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.474 11.590 4.288 1.00 0.00 H new ATOM 763 N GLU A 46 14.945 12.173 4.911 1.00 0.00 N ATOM 764 CA GLU A 46 14.160 13.264 5.550 1.00 0.00 C ATOM 765 C GLU A 46 15.007 14.539 5.634 1.00 0.00 C ATOM 766 O GLU A 46 16.163 14.560 5.259 1.00 0.00 O ATOM 767 CB GLU A 46 13.705 12.841 6.960 1.00 0.00 C ATOM 768 CG GLU A 46 14.746 11.932 7.615 1.00 0.00 C ATOM 769 CD GLU A 46 14.613 10.495 7.093 1.00 0.00 C ATOM 770 OE1 GLU A 46 13.619 10.204 6.451 1.00 0.00 O ATOM 771 OE2 GLU A 46 15.513 9.711 7.344 1.00 0.00 O ATOM 0 H GLU A 46 15.190 11.399 5.529 1.00 0.00 H new ATOM 0 HA GLU A 46 13.277 13.462 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.548 13.726 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.749 12.321 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.748 12.309 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.618 11.945 8.697 1.00 0.00 H new ATOM 778 N ILE A 47 14.420 15.604 6.121 1.00 0.00 N ATOM 779 CA ILE A 47 15.145 16.906 6.242 1.00 0.00 C ATOM 780 C ILE A 47 15.417 17.199 7.717 1.00 0.00 C ATOM 781 O ILE A 47 14.570 17.000 8.564 1.00 0.00 O ATOM 782 CB ILE A 47 14.274 18.001 5.634 1.00 0.00 C ATOM 783 CG1 ILE A 47 14.098 17.694 4.146 1.00 0.00 C ATOM 784 CG2 ILE A 47 14.935 19.370 5.818 1.00 0.00 C ATOM 785 CD1 ILE A 47 13.098 18.662 3.530 1.00 0.00 C ATOM 0 H ILE A 47 13.453 15.626 6.445 1.00 0.00 H new ATOM 0 HA ILE A 47 16.098 16.864 5.715 1.00 0.00 H new ATOM 0 HB ILE A 47 13.304 18.028 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.057 17.774 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.752 16.669 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.302 20.141 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.067 19.570 6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.907 19.374 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.979 18.436 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.136 18.561 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.462 19.683 3.645 1.00 0.00 H new ATOM 797 N LYS A 48 16.611 17.630 8.033 1.00 0.00 N ATOM 798 CA LYS A 48 16.974 17.895 9.460 1.00 0.00 C ATOM 799 C LYS A 48 16.928 19.402 9.755 1.00 0.00 C ATOM 800 O LYS A 48 16.827 19.807 10.896 1.00 0.00 O ATOM 801 CB LYS A 48 18.404 17.370 9.713 1.00 0.00 C ATOM 802 CG LYS A 48 18.687 16.127 8.850 1.00 0.00 C ATOM 803 CD LYS A 48 17.796 14.960 9.277 1.00 0.00 C ATOM 804 CE LYS A 48 17.916 13.839 8.243 1.00 0.00 C ATOM 805 NZ LYS A 48 19.338 13.710 7.812 1.00 0.00 N ATOM 0 H LYS A 48 17.356 17.811 7.360 1.00 0.00 H new ATOM 0 HA LYS A 48 16.262 17.389 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.129 18.151 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.525 17.122 10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.512 16.360 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.735 15.844 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.095 14.598 10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.760 15.288 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.567 12.898 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.282 14.054 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.481 12.784 7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.565 14.465 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.961 13.791 8.641 1.00 0.00 H new ATOM 819 N GLU A 49 17.015 20.232 8.742 1.00 0.00 N ATOM 820 CA GLU A 49 16.992 21.716 8.959 1.00 0.00 C ATOM 821 C GLU A 49 15.782 22.332 8.262 1.00 0.00 C ATOM 822 O GLU A 49 15.421 21.959 7.165 1.00 0.00 O ATOM 823 CB GLU A 49 18.265 22.333 8.381 1.00 0.00 C ATOM 824 CG GLU A 49 19.453 21.982 9.271 1.00 0.00 C ATOM 825 CD GLU A 49 20.754 22.386 8.574 1.00 0.00 C ATOM 826 OE1 GLU A 49 20.678 22.896 7.469 1.00 0.00 O ATOM 827 OE2 GLU A 49 21.806 22.173 9.156 1.00 0.00 O ATOM 0 H GLU A 49 17.102 19.944 7.767 1.00 0.00 H new ATOM 0 HA GLU A 49 16.931 21.915 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 49 18.434 21.963 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.157 23.415 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.367 22.496 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.459 20.913 9.482 1.00 0.00 H new ATOM 834 N GLN A 50 15.156 23.280 8.899 1.00 0.00 N ATOM 835 CA GLN A 50 13.972 23.939 8.290 1.00 0.00 C ATOM 836 C GLN A 50 14.410 24.827 7.120 1.00 0.00 C ATOM 837 O GLN A 50 13.613 25.190 6.280 1.00 0.00 O ATOM 838 CB GLN A 50 13.259 24.779 9.356 1.00 0.00 C ATOM 839 CG GLN A 50 14.199 25.875 9.881 1.00 0.00 C ATOM 840 CD GLN A 50 14.212 27.061 8.914 1.00 0.00 C ATOM 841 OE1 GLN A 50 15.297 27.325 8.237 1.00 0.00 O flip ATOM 842 NE2 GLN A 50 13.225 27.755 8.772 1.00 0.00 N flip ATOM 0 H GLN A 50 15.417 23.628 9.822 1.00 0.00 H new ATOM 0 HA GLN A 50 13.287 23.181 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.361 25.231 8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.938 24.140 10.179 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.873 26.203 10.868 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.207 25.477 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.377 27.550 9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.244 28.543 8.125 1.00 0.00 H new ATOM 851 N GLU A 51 15.667 25.185 7.056 1.00 0.00 N ATOM 852 CA GLU A 51 16.133 26.055 5.928 1.00 0.00 C ATOM 853 C GLU A 51 16.018 25.294 4.612 1.00 0.00 C ATOM 854 O GLU A 51 15.640 25.845 3.603 1.00 0.00 O ATOM 855 CB GLU A 51 17.590 26.483 6.161 1.00 0.00 C ATOM 856 CG GLU A 51 18.535 25.314 5.863 1.00 0.00 C ATOM 857 CD GLU A 51 19.910 25.596 6.473 1.00 0.00 C ATOM 858 OE1 GLU A 51 20.088 25.303 7.643 1.00 0.00 O ATOM 859 OE2 GLU A 51 20.760 26.105 5.760 1.00 0.00 O ATOM 0 H GLU A 51 16.387 24.917 7.728 1.00 0.00 H new ATOM 0 HA GLU A 51 15.508 26.947 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.835 27.331 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.720 26.813 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.127 24.390 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.626 25.172 4.786 1.00 0.00 H new ATOM 866 N VAL A 52 16.338 24.035 4.614 1.00 0.00 N ATOM 867 CA VAL A 52 16.236 23.251 3.361 1.00 0.00 C ATOM 868 C VAL A 52 14.799 23.290 2.903 1.00 0.00 C ATOM 869 O VAL A 52 14.512 23.402 1.735 1.00 0.00 O ATOM 870 CB VAL A 52 16.659 21.809 3.623 1.00 0.00 C ATOM 871 CG1 VAL A 52 16.395 20.948 2.381 1.00 0.00 C ATOM 872 CG2 VAL A 52 18.142 21.781 3.979 1.00 0.00 C ATOM 0 H VAL A 52 16.665 23.516 5.429 1.00 0.00 H new ATOM 0 HA VAL A 52 16.887 23.670 2.594 1.00 0.00 H new ATOM 0 HB VAL A 52 16.079 21.404 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.701 19.921 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.332 20.971 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.965 21.340 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 52 18.452 20.753 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.723 22.189 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.313 22.381 4.873 1.00 0.00 H new ATOM 882 N VAL A 53 13.895 23.194 3.821 1.00 0.00 N ATOM 883 CA VAL A 53 12.464 23.230 3.458 1.00 0.00 C ATOM 884 C VAL A 53 12.139 24.563 2.807 1.00 0.00 C ATOM 885 O VAL A 53 11.394 24.622 1.868 1.00 0.00 O ATOM 886 CB VAL A 53 11.633 23.067 4.718 1.00 0.00 C ATOM 887 CG1 VAL A 53 10.148 23.042 4.358 1.00 0.00 C ATOM 888 CG2 VAL A 53 12.036 21.769 5.400 1.00 0.00 C ATOM 0 H VAL A 53 14.087 23.091 4.817 1.00 0.00 H new ATOM 0 HA VAL A 53 12.240 22.424 2.759 1.00 0.00 H new ATOM 0 HB VAL A 53 11.808 23.903 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.556 22.925 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.877 23.976 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.951 22.207 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.447 21.637 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.855 20.932 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.095 21.806 5.656 1.00 0.00 H new ATOM 898 N ASP A 54 12.686 25.632 3.306 1.00 0.00 N ATOM 899 CA ASP A 54 12.398 26.968 2.712 1.00 0.00 C ATOM 900 C ASP A 54 12.871 27.005 1.263 1.00 0.00 C ATOM 901 O ASP A 54 12.225 27.558 0.401 1.00 0.00 O ATOM 902 CB ASP A 54 13.111 28.058 3.515 1.00 0.00 C ATOM 903 CG ASP A 54 12.446 28.200 4.885 1.00 0.00 C ATOM 904 OD1 ASP A 54 11.319 27.753 5.024 1.00 0.00 O ATOM 905 OD2 ASP A 54 13.075 28.751 5.774 1.00 0.00 O ATOM 0 H ASP A 54 13.323 25.641 4.103 1.00 0.00 H new ATOM 0 HA ASP A 54 11.323 27.145 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.165 27.806 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.069 29.006 2.979 1.00 0.00 H new ATOM 910 N LYS A 55 14.000 26.426 0.998 1.00 0.00 N ATOM 911 CA LYS A 55 14.535 26.423 -0.394 1.00 0.00 C ATOM 912 C LYS A 55 13.599 25.602 -1.271 1.00 0.00 C ATOM 913 O LYS A 55 13.294 25.961 -2.393 1.00 0.00 O ATOM 914 CB LYS A 55 15.939 25.809 -0.409 1.00 0.00 C ATOM 915 CG LYS A 55 16.545 25.933 -1.812 1.00 0.00 C ATOM 916 CD LYS A 55 17.952 25.328 -1.815 1.00 0.00 C ATOM 917 CE LYS A 55 18.596 25.517 -3.191 1.00 0.00 C ATOM 918 NZ LYS A 55 17.738 24.889 -4.234 1.00 0.00 N ATOM 0 H LYS A 55 14.583 25.950 1.686 1.00 0.00 H new ATOM 0 HA LYS A 55 14.597 27.443 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.575 26.315 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.891 24.760 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.915 25.420 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.587 26.981 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.564 25.804 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.902 24.267 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.723 26.579 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.589 25.068 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.224 24.928 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.554 23.897 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.836 25.403 -4.297 1.00 0.00 H new ATOM 932 N VAL A 56 13.116 24.512 -0.749 1.00 0.00 N ATOM 933 CA VAL A 56 12.172 23.669 -1.526 1.00 0.00 C ATOM 934 C VAL A 56 10.906 24.485 -1.749 1.00 0.00 C ATOM 935 O VAL A 56 10.227 24.351 -2.748 1.00 0.00 O ATOM 936 CB VAL A 56 11.854 22.386 -0.738 1.00 0.00 C ATOM 937 CG1 VAL A 56 10.584 21.721 -1.286 1.00 0.00 C ATOM 938 CG2 VAL A 56 13.025 21.408 -0.870 1.00 0.00 C ATOM 0 H VAL A 56 13.336 24.168 0.186 1.00 0.00 H new ATOM 0 HA VAL A 56 12.605 23.378 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 56 11.696 22.647 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.373 20.815 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.744 22.410 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.731 21.465 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.803 20.498 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.177 21.162 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.929 21.867 -0.470 1.00 0.00 H new ATOM 948 N MET A 57 10.591 25.335 -0.816 1.00 0.00 N ATOM 949 CA MET A 57 9.371 26.169 -0.960 1.00 0.00 C ATOM 950 C MET A 57 9.577 27.196 -2.060 1.00 0.00 C ATOM 951 O MET A 57 8.670 27.535 -2.761 1.00 0.00 O ATOM 952 CB MET A 57 9.035 26.863 0.357 1.00 0.00 C ATOM 953 CG MET A 57 8.526 25.821 1.355 1.00 0.00 C ATOM 954 SD MET A 57 6.890 25.227 0.847 1.00 0.00 S ATOM 955 CE MET A 57 5.899 26.603 1.484 1.00 0.00 C ATOM 0 H MET A 57 11.125 25.488 0.039 1.00 0.00 H new ATOM 0 HA MET A 57 8.535 25.523 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.918 27.364 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.278 27.630 0.195 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.225 24.986 1.410 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.471 26.257 2.353 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.273 26.251 2.304 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.560 27.391 1.844 1.00 0.00 H new ATOM 0 HE3 MET A 57 5.267 26.995 0.687 1.00 0.00 H new ATOM 965 N GLU A 58 10.759 27.686 -2.248 1.00 0.00 N ATOM 966 CA GLU A 58 10.947 28.676 -3.336 1.00 0.00 C ATOM 967 C GLU A 58 10.493 28.009 -4.633 1.00 0.00 C ATOM 968 O GLU A 58 9.870 28.616 -5.481 1.00 0.00 O ATOM 969 CB GLU A 58 12.423 29.068 -3.426 1.00 0.00 C ATOM 970 CG GLU A 58 12.619 30.090 -4.548 1.00 0.00 C ATOM 971 CD GLU A 58 14.089 30.509 -4.598 1.00 0.00 C ATOM 972 OE1 GLU A 58 14.829 30.103 -3.716 1.00 0.00 O ATOM 973 OE2 GLU A 58 14.450 31.233 -5.511 1.00 0.00 O ATOM 0 H GLU A 58 11.592 27.452 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 58 10.369 29.582 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.756 29.488 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.033 28.185 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.319 29.660 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.986 30.961 -4.377 1.00 0.00 H new ATOM 980 N THR A 59 10.800 26.751 -4.777 1.00 0.00 N ATOM 981 CA THR A 59 10.391 26.003 -5.997 1.00 0.00 C ATOM 982 C THR A 59 8.881 25.696 -5.972 1.00 0.00 C ATOM 983 O THR A 59 8.191 25.863 -6.959 1.00 0.00 O ATOM 984 CB THR A 59 11.176 24.689 -6.039 1.00 0.00 C ATOM 985 OG1 THR A 59 12.569 24.972 -6.044 1.00 0.00 O ATOM 986 CG2 THR A 59 10.821 23.896 -7.295 1.00 0.00 C ATOM 0 H THR A 59 11.323 26.203 -4.094 1.00 0.00 H new ATOM 0 HA THR A 59 10.601 26.608 -6.879 1.00 0.00 H new ATOM 0 HB THR A 59 10.918 24.097 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.073 24.132 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.387 22.965 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.754 23.672 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.068 24.485 -8.179 1.00 0.00 H new ATOM 994 N LEU A 60 8.367 25.219 -4.862 1.00 0.00 N ATOM 995 CA LEU A 60 6.911 24.867 -4.790 1.00 0.00 C ATOM 996 C LEU A 60 6.076 26.064 -4.346 1.00 0.00 C ATOM 997 O LEU A 60 4.867 26.054 -4.462 1.00 0.00 O ATOM 998 CB LEU A 60 6.714 23.729 -3.791 1.00 0.00 C ATOM 999 CG LEU A 60 7.693 22.595 -4.094 1.00 0.00 C ATOM 1000 CD1 LEU A 60 7.467 21.465 -3.088 1.00 0.00 C ATOM 1001 CD2 LEU A 60 7.470 22.073 -5.520 1.00 0.00 C ATOM 0 H LEU A 60 8.893 25.058 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 60 6.585 24.563 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.870 24.094 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.690 23.360 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 60 8.716 22.964 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.160 20.650 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.636 21.838 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.443 21.101 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.172 21.265 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.450 21.700 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.629 22.882 -6.233 1.00 0.00 H new ATOM 1013 N ASP A 61 6.688 27.097 -3.852 1.00 0.00 N ATOM 1014 CA ASP A 61 5.889 28.279 -3.430 1.00 0.00 C ATOM 1015 C ASP A 61 5.568 29.056 -4.687 1.00 0.00 C ATOM 1016 O ASP A 61 5.918 30.209 -4.843 1.00 0.00 O ATOM 1017 CB ASP A 61 6.676 29.165 -2.459 1.00 0.00 C ATOM 1018 CG ASP A 61 5.787 30.314 -1.991 1.00 0.00 C ATOM 1019 OD1 ASP A 61 4.643 30.362 -2.414 1.00 0.00 O ATOM 1020 OD2 ASP A 61 6.264 31.124 -1.214 1.00 0.00 O ATOM 0 H ASP A 61 7.696 27.177 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 61 4.985 27.958 -2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.012 28.578 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.568 29.556 -2.947 1.00 0.00 H new ATOM 1025 N GLU A 62 4.914 28.404 -5.595 1.00 0.00 N ATOM 1026 CA GLU A 62 4.561 29.049 -6.876 1.00 0.00 C ATOM 1027 C GLU A 62 3.695 30.268 -6.581 1.00 0.00 C ATOM 1028 O GLU A 62 3.746 31.264 -7.276 1.00 0.00 O ATOM 1029 CB GLU A 62 3.784 28.048 -7.724 1.00 0.00 C ATOM 1030 CG GLU A 62 4.553 26.720 -7.771 1.00 0.00 C ATOM 1031 CD GLU A 62 3.880 25.774 -8.769 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.801 26.102 -9.233 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.459 24.739 -9.055 1.00 0.00 O ATOM 0 H GLU A 62 4.605 27.437 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 62 5.456 29.362 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.790 27.892 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.646 28.438 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.588 26.897 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.575 26.265 -6.781 1.00 0.00 H new ATOM 1040 N ASP A 63 2.916 30.204 -5.537 1.00 0.00 N ATOM 1041 CA ASP A 63 2.064 31.367 -5.177 1.00 0.00 C ATOM 1042 C ASP A 63 2.946 32.406 -4.490 1.00 0.00 C ATOM 1043 O ASP A 63 2.547 33.532 -4.266 1.00 0.00 O ATOM 1044 CB ASP A 63 0.967 30.916 -4.210 1.00 0.00 C ATOM 1045 CG ASP A 63 0.063 29.895 -4.900 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.199 30.063 -6.079 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -0.346 28.956 -4.237 1.00 0.00 O ATOM 0 H ASP A 63 2.834 29.396 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 63 1.602 31.789 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.413 30.477 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.380 31.775 -3.884 1.00 0.00 H new ATOM 1052 N GLY A 64 4.154 32.031 -4.163 1.00 0.00 N ATOM 1053 CA GLY A 64 5.083 32.991 -3.497 1.00 0.00 C ATOM 1054 C GLY A 64 4.492 33.441 -2.157 1.00 0.00 C ATOM 1055 O GLY A 64 4.731 34.546 -1.713 1.00 0.00 O ATOM 0 H GLY A 64 4.538 31.101 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.053 32.521 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.250 33.855 -4.140 1.00 0.00 H new ATOM 1059 N ASP A 65 3.716 32.600 -1.510 1.00 0.00 N ATOM 1060 CA ASP A 65 3.099 32.986 -0.197 1.00 0.00 C ATOM 1061 C ASP A 65 3.765 32.218 0.946 1.00 0.00 C ATOM 1062 O ASP A 65 3.303 32.240 2.069 1.00 0.00 O ATOM 1063 CB ASP A 65 1.602 32.665 -0.239 1.00 0.00 C ATOM 1064 CG ASP A 65 1.406 31.170 -0.483 1.00 0.00 C ATOM 1065 OD1 ASP A 65 2.382 30.511 -0.793 1.00 0.00 O ATOM 1066 OD2 ASP A 65 0.282 30.711 -0.356 1.00 0.00 O ATOM 0 H ASP A 65 3.483 31.662 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 65 3.243 34.053 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.131 32.955 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.119 33.239 -1.029 1.00 0.00 H new ATOM 1071 N GLY A 66 4.836 31.530 0.672 1.00 0.00 N ATOM 1072 CA GLY A 66 5.513 30.754 1.750 1.00 0.00 C ATOM 1073 C GLY A 66 4.677 29.512 2.045 1.00 0.00 C ATOM 1074 O GLY A 66 4.906 28.794 2.998 1.00 0.00 O ATOM 0 H GLY A 66 5.272 31.470 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.518 30.470 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.617 31.363 2.648 1.00 0.00 H new ATOM 1078 N GLU A 67 3.701 29.266 1.217 1.00 0.00 N ATOM 1079 CA GLU A 67 2.809 28.090 1.392 1.00 0.00 C ATOM 1080 C GLU A 67 2.546 27.484 0.009 1.00 0.00 C ATOM 1081 O GLU A 67 2.260 28.190 -0.936 1.00 0.00 O ATOM 1082 CB GLU A 67 1.483 28.562 1.996 1.00 0.00 C ATOM 1083 CG GLU A 67 1.755 29.419 3.236 1.00 0.00 C ATOM 1084 CD GLU A 67 0.429 29.892 3.833 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -0.583 29.728 3.176 1.00 0.00 O ATOM 1086 OE2 GLU A 67 0.452 30.425 4.931 1.00 0.00 O ATOM 0 H GLU A 67 3.481 29.846 0.407 1.00 0.00 H new ATOM 0 HA GLU A 67 3.268 27.351 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.922 29.138 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.868 27.703 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.313 28.842 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.372 30.277 2.969 1.00 0.00 H new ATOM 1093 N CYS A 68 2.628 26.188 -0.122 1.00 0.00 N ATOM 1094 CA CYS A 68 2.369 25.544 -1.453 1.00 0.00 C ATOM 1095 C CYS A 68 0.940 25.010 -1.468 1.00 0.00 C ATOM 1096 O CYS A 68 0.509 24.326 -0.565 1.00 0.00 O ATOM 1097 CB CYS A 68 3.381 24.413 -1.687 1.00 0.00 C ATOM 1098 SG CYS A 68 2.895 22.937 -0.758 1.00 0.00 S ATOM 0 H CYS A 68 2.863 25.542 0.632 1.00 0.00 H new ATOM 0 HA CYS A 68 2.485 26.272 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 68 3.438 24.180 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 68 4.375 24.735 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 68 1.600 22.899 -0.650 1.00 0.00 H new ATOM 1104 N ASP A 69 0.196 25.333 -2.485 1.00 0.00 N ATOM 1105 CA ASP A 69 -1.208 24.866 -2.561 1.00 0.00 C ATOM 1106 C ASP A 69 -1.219 23.367 -2.821 1.00 0.00 C ATOM 1107 O ASP A 69 -0.211 22.783 -3.166 1.00 0.00 O ATOM 1108 CB ASP A 69 -1.919 25.606 -3.693 1.00 0.00 C ATOM 1109 CG ASP A 69 -3.323 25.031 -3.882 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -3.432 23.954 -4.446 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.267 25.680 -3.463 1.00 0.00 O ATOM 0 H ASP A 69 0.505 25.905 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.726 25.068 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.979 26.670 -3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.349 25.511 -4.617 1.00 0.00 H new ATOM 1116 N PHE A 70 -2.339 22.728 -2.651 1.00 0.00 N ATOM 1117 CA PHE A 70 -2.382 21.276 -2.881 1.00 0.00 C ATOM 1118 C PHE A 70 -1.872 20.982 -4.293 1.00 0.00 C ATOM 1119 O PHE A 70 -1.160 20.034 -4.506 1.00 0.00 O ATOM 1120 CB PHE A 70 -3.828 20.787 -2.716 1.00 0.00 C ATOM 1121 CG PHE A 70 -3.974 19.397 -3.292 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -3.104 18.380 -2.888 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -4.968 19.130 -4.239 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -3.225 17.101 -3.427 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -5.088 17.851 -4.780 1.00 0.00 C ATOM 1126 CZ PHE A 70 -4.216 16.834 -4.375 1.00 0.00 C ATOM 0 H PHE A 70 -3.220 23.154 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.750 20.756 -2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.101 20.782 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.511 21.471 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.337 18.586 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.642 19.914 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.553 16.316 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.855 17.645 -5.512 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.309 15.843 -4.795 1.00 0.00 H new ATOM 1136 N GLN A 71 -2.222 21.783 -5.257 1.00 0.00 N ATOM 1137 CA GLN A 71 -1.737 21.515 -6.642 1.00 0.00 C ATOM 1138 C GLN A 71 -0.215 21.682 -6.702 1.00 0.00 C ATOM 1139 O GLN A 71 0.463 20.981 -7.428 1.00 0.00 O ATOM 1140 CB GLN A 71 -2.412 22.471 -7.635 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.921 23.902 -7.411 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.750 24.861 -8.268 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.950 24.711 -8.380 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.154 25.841 -8.891 1.00 0.00 N ATOM 0 H GLN A 71 -2.817 22.605 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.993 20.491 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.193 22.160 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.494 22.427 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.009 24.168 -6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.866 23.982 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.146 25.967 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.696 26.481 -9.472 1.00 0.00 H new ATOM 1153 N GLU A 72 0.330 22.610 -5.960 1.00 0.00 N ATOM 1154 CA GLU A 72 1.804 22.821 -5.995 1.00 0.00 C ATOM 1155 C GLU A 72 2.526 21.627 -5.366 1.00 0.00 C ATOM 1156 O GLU A 72 3.555 21.180 -5.841 1.00 0.00 O ATOM 1157 CB GLU A 72 2.132 24.081 -5.194 1.00 0.00 C ATOM 1158 CG GLU A 72 1.613 25.315 -5.932 1.00 0.00 C ATOM 1159 CD GLU A 72 1.775 26.548 -5.040 1.00 0.00 C ATOM 1160 OE1 GLU A 72 2.848 27.127 -5.055 1.00 0.00 O ATOM 1161 OE2 GLU A 72 0.824 26.891 -4.357 1.00 0.00 O ATOM 0 H GLU A 72 -0.183 23.229 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 72 2.131 22.926 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.680 24.021 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.209 24.160 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.162 25.452 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.564 25.179 -6.197 1.00 0.00 H new ATOM 1168 N PHE A 73 1.992 21.111 -4.301 1.00 0.00 N ATOM 1169 CA PHE A 73 2.630 19.950 -3.624 1.00 0.00 C ATOM 1170 C PHE A 73 2.559 18.725 -4.528 1.00 0.00 C ATOM 1171 O PHE A 73 3.451 17.900 -4.556 1.00 0.00 O ATOM 1172 CB PHE A 73 1.904 19.667 -2.309 1.00 0.00 C ATOM 1173 CG PHE A 73 2.516 18.455 -1.657 1.00 0.00 C ATOM 1174 CD1 PHE A 73 3.596 18.606 -0.783 1.00 0.00 C ATOM 1175 CD2 PHE A 73 2.003 17.181 -1.926 1.00 0.00 C ATOM 1176 CE1 PHE A 73 4.167 17.483 -0.178 1.00 0.00 C ATOM 1177 CE2 PHE A 73 2.573 16.056 -1.319 1.00 0.00 C ATOM 1178 CZ PHE A 73 3.656 16.207 -0.445 1.00 0.00 C ATOM 0 H PHE A 73 1.133 21.445 -3.865 1.00 0.00 H new ATOM 0 HA PHE A 73 3.675 20.179 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.979 20.529 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.843 19.499 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.989 19.590 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.168 17.066 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.003 17.599 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.178 15.072 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.097 15.340 0.023 1.00 0.00 H new ATOM 1188 N MET A 74 1.492 18.600 -5.256 1.00 0.00 N ATOM 1189 CA MET A 74 1.326 17.433 -6.159 1.00 0.00 C ATOM 1190 C MET A 74 2.453 17.390 -7.189 1.00 0.00 C ATOM 1191 O MET A 74 2.944 16.333 -7.547 1.00 0.00 O ATOM 1192 CB MET A 74 -0.029 17.520 -6.863 1.00 0.00 C ATOM 1193 CG MET A 74 -1.142 17.213 -5.853 1.00 0.00 C ATOM 1194 SD MET A 74 -1.067 15.469 -5.367 1.00 0.00 S ATOM 1195 CE MET A 74 -1.504 14.756 -6.969 1.00 0.00 C ATOM 0 H MET A 74 0.718 19.264 -5.265 1.00 0.00 H new ATOM 0 HA MET A 74 1.367 16.518 -5.568 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.169 18.515 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.068 16.813 -7.692 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.034 17.850 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.115 17.436 -6.291 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.976 13.785 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.197 15.420 -7.486 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.603 14.633 -7.570 1.00 0.00 H new ATOM 1205 N ALA A 75 2.855 18.514 -7.703 1.00 0.00 N ATOM 1206 CA ALA A 75 3.931 18.487 -8.730 1.00 0.00 C ATOM 1207 C ALA A 75 5.253 18.028 -8.106 1.00 0.00 C ATOM 1208 O ALA A 75 6.062 17.386 -8.743 1.00 0.00 O ATOM 1209 CB ALA A 75 4.090 19.876 -9.362 1.00 0.00 C ATOM 0 H ALA A 75 2.494 19.437 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 75 3.654 17.777 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.880 19.846 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.152 20.171 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.351 20.600 -8.590 1.00 0.00 H new ATOM 1215 N PHE A 76 5.475 18.346 -6.870 1.00 0.00 N ATOM 1216 CA PHE A 76 6.740 17.925 -6.194 1.00 0.00 C ATOM 1217 C PHE A 76 6.852 16.407 -6.191 1.00 0.00 C ATOM 1218 O PHE A 76 7.911 15.844 -6.324 1.00 0.00 O ATOM 1219 CB PHE A 76 6.714 18.427 -4.752 1.00 0.00 C ATOM 1220 CG PHE A 76 7.982 18.018 -4.039 1.00 0.00 C ATOM 1221 CD1 PHE A 76 9.209 18.548 -4.446 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.930 17.114 -2.969 1.00 0.00 C ATOM 1223 CE1 PHE A 76 10.383 18.180 -3.788 1.00 0.00 C ATOM 1224 CE2 PHE A 76 9.106 16.745 -2.307 1.00 0.00 C ATOM 1225 CZ PHE A 76 10.334 17.279 -2.717 1.00 0.00 C ATOM 0 H PHE A 76 4.834 18.884 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 76 7.593 18.343 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.613 19.512 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.847 18.019 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.249 19.244 -5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.982 16.702 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.330 18.590 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.067 16.050 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.243 16.996 -2.207 1.00 0.00 H new ATOM 1235 N VAL A 77 5.766 15.756 -5.999 1.00 0.00 N ATOM 1236 CA VAL A 77 5.764 14.269 -5.944 1.00 0.00 C ATOM 1237 C VAL A 77 6.193 13.690 -7.286 1.00 0.00 C ATOM 1238 O VAL A 77 6.835 12.665 -7.352 1.00 0.00 O ATOM 1239 CB VAL A 77 4.347 13.773 -5.610 1.00 0.00 C ATOM 1240 CG1 VAL A 77 4.427 12.460 -4.835 1.00 0.00 C ATOM 1241 CG2 VAL A 77 3.628 14.828 -4.772 1.00 0.00 C ATOM 0 H VAL A 77 4.851 16.189 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 77 6.464 13.943 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 77 3.793 13.604 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.420 12.114 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.937 11.711 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.981 12.617 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.623 14.480 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.182 14.999 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.565 15.759 -5.335 1.00 0.00 H new ATOM 1251 N SER A 78 5.804 14.310 -8.356 1.00 0.00 N ATOM 1252 CA SER A 78 6.160 13.756 -9.689 1.00 0.00 C ATOM 1253 C SER A 78 7.668 13.808 -9.913 1.00 0.00 C ATOM 1254 O SER A 78 8.246 12.900 -10.479 1.00 0.00 O ATOM 1255 CB SER A 78 5.473 14.567 -10.782 1.00 0.00 C ATOM 1256 OG SER A 78 5.712 15.951 -10.565 1.00 0.00 O ATOM 0 H SER A 78 5.258 15.171 -8.370 1.00 0.00 H new ATOM 0 HA SER A 78 5.830 12.718 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.850 14.271 -11.761 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.401 14.367 -10.779 1.00 0.00 H new ATOM 0 HG SER A 78 6.109 16.079 -9.678 1.00 0.00 H new ATOM 1262 N MET A 79 8.313 14.864 -9.507 1.00 0.00 N ATOM 1263 CA MET A 79 9.784 14.950 -9.750 1.00 0.00 C ATOM 1264 C MET A 79 10.561 14.046 -8.788 1.00 0.00 C ATOM 1265 O MET A 79 11.523 13.410 -9.173 1.00 0.00 O ATOM 1266 CB MET A 79 10.258 16.402 -9.621 1.00 0.00 C ATOM 1267 CG MET A 79 9.768 16.998 -8.303 1.00 0.00 C ATOM 1268 SD MET A 79 10.158 18.764 -8.251 1.00 0.00 S ATOM 1269 CE MET A 79 11.958 18.606 -8.308 1.00 0.00 C ATOM 0 H MET A 79 7.897 15.661 -9.025 1.00 0.00 H new ATOM 0 HA MET A 79 9.979 14.603 -10.765 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.346 16.443 -9.665 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.882 16.991 -10.458 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.693 16.850 -8.203 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.239 16.487 -7.464 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.414 19.451 -7.792 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.257 17.678 -7.820 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.289 18.593 -9.346 1.00 0.00 H new ATOM 1279 N VAL A 80 10.171 13.975 -7.547 1.00 0.00 N ATOM 1280 CA VAL A 80 10.930 13.099 -6.603 1.00 0.00 C ATOM 1281 C VAL A 80 10.776 11.641 -7.022 1.00 0.00 C ATOM 1282 O VAL A 80 11.693 10.853 -6.921 1.00 0.00 O ATOM 1283 CB VAL A 80 10.421 13.249 -5.171 1.00 0.00 C ATOM 1284 CG1 VAL A 80 11.318 12.429 -4.245 1.00 0.00 C ATOM 1285 CG2 VAL A 80 10.475 14.710 -4.744 1.00 0.00 C ATOM 0 H VAL A 80 9.376 14.474 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 80 11.977 13.401 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 80 9.390 12.899 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.966 12.526 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.286 11.381 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.343 12.794 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.110 14.804 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.504 15.066 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.850 15.307 -5.409 1.00 0.00 H new ATOM 1295 N THR A 81 9.618 11.273 -7.481 1.00 0.00 N ATOM 1296 CA THR A 81 9.401 9.863 -7.896 1.00 0.00 C ATOM 1297 C THR A 81 10.373 9.522 -9.010 1.00 0.00 C ATOM 1298 O THR A 81 10.931 8.445 -9.063 1.00 0.00 O ATOM 1299 CB THR A 81 7.979 9.683 -8.409 1.00 0.00 C ATOM 1300 OG1 THR A 81 7.057 10.011 -7.383 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.787 8.230 -8.857 1.00 0.00 C ATOM 0 H THR A 81 8.811 11.887 -7.587 1.00 0.00 H new ATOM 0 HA THR A 81 9.560 9.208 -7.040 1.00 0.00 H new ATOM 0 HB THR A 81 7.804 10.344 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.900 10.978 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.770 8.094 -9.226 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.495 7.998 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.959 7.563 -8.012 1.00 0.00 H new ATOM 1309 N THR A 82 10.580 10.437 -9.905 1.00 0.00 N ATOM 1310 CA THR A 82 11.513 10.176 -11.022 1.00 0.00 C ATOM 1311 C THR A 82 12.853 9.740 -10.424 1.00 0.00 C ATOM 1312 O THR A 82 13.519 8.864 -10.937 1.00 0.00 O ATOM 1313 CB THR A 82 11.677 11.456 -11.852 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.411 12.092 -11.973 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.196 11.113 -13.250 1.00 0.00 C ATOM 0 H THR A 82 10.141 11.358 -9.910 1.00 0.00 H new ATOM 0 HA THR A 82 11.133 9.391 -11.676 1.00 0.00 H new ATOM 0 HB THR A 82 12.389 12.117 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.506 12.912 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.309 12.028 -13.831 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.162 10.614 -13.167 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.488 10.452 -13.749 1.00 0.00 H new ATOM 1323 N ALA A 83 13.232 10.318 -9.314 1.00 0.00 N ATOM 1324 CA ALA A 83 14.504 9.901 -8.657 1.00 0.00 C ATOM 1325 C ALA A 83 14.388 8.419 -8.283 1.00 0.00 C ATOM 1326 O ALA A 83 15.324 7.656 -8.416 1.00 0.00 O ATOM 1327 CB ALA A 83 14.740 10.735 -7.394 1.00 0.00 C ATOM 0 H ALA A 83 12.717 11.058 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 83 15.342 10.055 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.671 10.423 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.804 11.790 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.913 10.586 -6.700 1.00 0.00 H new ATOM 1333 N CYS A 84 13.235 8.014 -7.812 1.00 0.00 N ATOM 1334 CA CYS A 84 13.032 6.588 -7.420 1.00 0.00 C ATOM 1335 C CYS A 84 13.270 5.688 -8.632 1.00 0.00 C ATOM 1336 O CYS A 84 13.760 4.584 -8.504 1.00 0.00 O ATOM 1337 CB CYS A 84 11.600 6.391 -6.919 1.00 0.00 C ATOM 1338 SG CYS A 84 11.228 7.633 -5.658 1.00 0.00 S ATOM 0 H CYS A 84 12.421 8.615 -7.682 1.00 0.00 H new ATOM 0 HA CYS A 84 13.734 6.329 -6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.898 6.477 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.483 5.390 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 84 11.411 8.821 -6.152 1.00 0.00 H new ATOM 1344 N HIS A 85 12.934 6.143 -9.809 1.00 0.00 N ATOM 1345 CA HIS A 85 13.159 5.289 -11.007 1.00 0.00 C ATOM 1346 C HIS A 85 14.649 4.977 -11.112 1.00 0.00 C ATOM 1347 O HIS A 85 15.037 3.862 -11.399 1.00 0.00 O ATOM 1348 CB HIS A 85 12.704 6.028 -12.268 1.00 0.00 C ATOM 1349 CG HIS A 85 13.060 5.211 -13.482 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.241 5.409 -14.185 1.00 0.00 N ATOM 1351 CD2 HIS A 85 12.412 4.185 -14.121 1.00 0.00 C ATOM 1352 CE1 HIS A 85 14.266 4.519 -15.195 1.00 0.00 C ATOM 1353 NE2 HIS A 85 13.175 3.752 -15.199 1.00 0.00 N ATOM 0 H HIS A 85 12.519 7.057 -9.991 1.00 0.00 H new ATOM 0 HA HIS A 85 12.587 4.366 -10.912 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.628 6.200 -12.234 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.181 7.006 -12.322 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.959 6.102 -13.975 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.455 3.776 -13.831 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.069 4.437 -15.912 1.00 0.00 H new ATOM 1362 N GLU A 86 15.491 5.939 -10.858 1.00 0.00 N ATOM 1363 CA GLU A 86 16.950 5.666 -10.923 1.00 0.00 C ATOM 1364 C GLU A 86 17.287 4.590 -9.890 1.00 0.00 C ATOM 1365 O GLU A 86 18.064 3.690 -10.140 1.00 0.00 O ATOM 1366 CB GLU A 86 17.725 6.943 -10.601 1.00 0.00 C ATOM 1367 CG GLU A 86 17.563 7.942 -11.748 1.00 0.00 C ATOM 1368 CD GLU A 86 18.323 7.438 -12.976 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.233 6.645 -12.799 1.00 0.00 O ATOM 1370 OE2 GLU A 86 17.983 7.855 -14.071 1.00 0.00 O ATOM 0 H GLU A 86 15.234 6.894 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 86 17.223 5.327 -11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.359 7.378 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.780 6.713 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.507 8.069 -11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.941 8.919 -11.449 1.00 0.00 H new ATOM 1377 N PHE A 87 16.682 4.668 -8.737 1.00 0.00 N ATOM 1378 CA PHE A 87 16.933 3.643 -7.687 1.00 0.00 C ATOM 1379 C PHE A 87 16.273 2.339 -8.117 1.00 0.00 C ATOM 1380 O PHE A 87 16.812 1.263 -7.945 1.00 0.00 O ATOM 1381 CB PHE A 87 16.357 4.112 -6.348 1.00 0.00 C ATOM 1382 CG PHE A 87 16.593 3.055 -5.293 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.770 3.074 -4.533 1.00 0.00 C ATOM 1384 CD2 PHE A 87 15.637 2.055 -5.074 1.00 0.00 C ATOM 1385 CE1 PHE A 87 17.989 2.097 -3.556 1.00 0.00 C ATOM 1386 CE2 PHE A 87 15.856 1.078 -4.095 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.032 1.099 -3.336 1.00 0.00 C ATOM 0 H PHE A 87 16.022 5.401 -8.477 1.00 0.00 H new ATOM 0 HA PHE A 87 18.005 3.491 -7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.825 5.050 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.289 4.307 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.509 3.844 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.730 2.037 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 87 18.897 2.113 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.118 0.308 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.201 0.346 -2.581 1.00 0.00 H new ATOM 1397 N PHE A 88 15.101 2.436 -8.680 1.00 0.00 N ATOM 1398 CA PHE A 88 14.383 1.216 -9.134 1.00 0.00 C ATOM 1399 C PHE A 88 15.063 0.699 -10.412 1.00 0.00 C ATOM 1400 O PHE A 88 14.459 0.598 -11.461 1.00 0.00 O ATOM 1401 CB PHE A 88 12.901 1.584 -9.401 1.00 0.00 C ATOM 1402 CG PHE A 88 11.983 0.450 -8.980 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.123 -0.814 -9.566 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.995 0.663 -8.003 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.280 -1.863 -9.181 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.154 -0.388 -7.619 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.296 -1.649 -8.208 1.00 0.00 C ATOM 0 H PHE A 88 14.608 3.314 -8.845 1.00 0.00 H new ATOM 0 HA PHE A 88 14.416 0.433 -8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.642 2.491 -8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.759 1.799 -10.460 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.882 -0.980 -10.316 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.885 1.637 -7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.388 -2.837 -9.634 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.395 -0.225 -6.868 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.646 -2.459 -7.912 1.00 0.00 H new ATOM 1464 N MET B 0 -2.317 6.857 4.213 1.00 0.00 N ATOM 1465 CA MET B 0 -1.536 6.658 5.466 1.00 0.00 C ATOM 1466 C MET B 0 -0.076 6.363 5.120 1.00 0.00 C ATOM 1467 O MET B 0 0.385 5.244 5.231 1.00 0.00 O ATOM 1468 CB MET B 0 -2.130 5.489 6.258 1.00 0.00 C ATOM 1469 CG MET B 0 -3.492 5.901 6.822 1.00 0.00 C ATOM 1470 SD MET B 0 -4.202 4.525 7.759 1.00 0.00 S ATOM 1471 CE MET B 0 -5.697 5.377 8.322 1.00 0.00 C ATOM 0 H1 MET B 0 -3.215 7.331 4.436 1.00 0.00 H new ATOM 0 H2 MET B 0 -1.770 7.445 3.552 1.00 0.00 H new ATOM 0 H3 MET B 0 -2.512 5.934 3.775 1.00 0.00 H new ATOM 0 HA MET B 0 -1.583 7.563 6.072 1.00 0.00 H new ATOM 0 HB2 MET B 0 -2.239 4.616 5.614 1.00 0.00 H new ATOM 0 HB3 MET B 0 -1.459 5.205 7.068 1.00 0.00 H new ATOM 0 HG2 MET B 0 -3.382 6.774 7.465 1.00 0.00 H new ATOM 0 HG3 MET B 0 -4.162 6.186 6.011 1.00 0.00 H new ATOM 0 HE1 MET B 0 -6.295 4.699 8.930 1.00 0.00 H new ATOM 0 HE2 MET B 0 -5.418 6.247 8.916 1.00 0.00 H new ATOM 0 HE3 MET B 0 -6.279 5.699 7.459 1.00 0.00 H new ATOM 1483 N SER B 1 0.654 7.362 4.700 1.00 0.00 N ATOM 1484 CA SER B 1 2.089 7.143 4.341 1.00 0.00 C ATOM 1485 C SER B 1 2.180 6.141 3.191 1.00 0.00 C ATOM 1486 O SER B 1 3.201 5.521 2.971 1.00 0.00 O ATOM 1487 CB SER B 1 2.845 6.602 5.560 1.00 0.00 C ATOM 1488 OG SER B 1 4.233 6.869 5.405 1.00 0.00 O ATOM 0 H SER B 1 0.321 8.320 4.590 1.00 0.00 H new ATOM 0 HA SER B 1 2.535 8.088 4.031 1.00 0.00 H new ATOM 0 HB2 SER B 1 2.472 7.069 6.471 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.678 5.530 5.660 1.00 0.00 H new ATOM 0 HG SER B 1 4.529 6.560 4.523 1.00 0.00 H new ATOM 1494 N GLU B 2 1.122 5.992 2.450 1.00 0.00 N ATOM 1495 CA GLU B 2 1.132 5.045 1.301 1.00 0.00 C ATOM 1496 C GLU B 2 1.932 5.655 0.156 1.00 0.00 C ATOM 1497 O GLU B 2 2.162 5.032 -0.857 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.299 4.780 0.849 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.003 3.961 1.923 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.445 3.678 1.499 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -2.864 4.223 0.491 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.105 2.916 2.186 1.00 0.00 O ATOM 0 H GLU B 2 0.242 6.489 2.591 1.00 0.00 H new ATOM 0 HA GLU B 2 1.591 4.104 1.602 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -0.825 5.721 0.685 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.303 4.243 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.471 3.023 2.085 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -0.992 4.501 2.870 1.00 0.00 H new ATOM 1509 N LEU B 3 2.336 6.881 0.308 1.00 0.00 N ATOM 1510 CA LEU B 3 3.103 7.572 -0.771 1.00 0.00 C ATOM 1511 C LEU B 3 4.144 6.628 -1.368 1.00 0.00 C ATOM 1512 O LEU B 3 4.571 6.795 -2.487 1.00 0.00 O ATOM 1513 CB LEU B 3 3.819 8.789 -0.176 1.00 0.00 C ATOM 1514 CG LEU B 3 4.410 9.658 -1.295 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.280 10.324 -2.108 1.00 0.00 C ATOM 1516 CD2 LEU B 3 5.315 10.735 -0.671 1.00 0.00 C ATOM 0 H LEU B 3 2.168 7.444 1.142 1.00 0.00 H new ATOM 0 HA LEU B 3 2.412 7.884 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU B 3 3.120 9.376 0.419 1.00 0.00 H new ATOM 0 HB3 LEU B 3 4.612 8.461 0.496 1.00 0.00 H new ATOM 0 HG LEU B 3 4.996 9.032 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.713 10.937 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.648 9.554 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU B 3 2.679 10.952 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 3 5.738 11.356 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.728 11.357 0.005 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.121 10.256 -0.115 1.00 0.00 H new ATOM 1528 N GLU B 4 4.560 5.643 -0.637 1.00 0.00 N ATOM 1529 CA GLU B 4 5.576 4.698 -1.179 1.00 0.00 C ATOM 1530 C GLU B 4 4.966 3.838 -2.286 1.00 0.00 C ATOM 1531 O GLU B 4 5.610 3.548 -3.275 1.00 0.00 O ATOM 1532 CB GLU B 4 6.092 3.806 -0.046 1.00 0.00 C ATOM 1533 CG GLU B 4 7.143 2.832 -0.588 1.00 0.00 C ATOM 1534 CD GLU B 4 7.728 2.019 0.568 1.00 0.00 C ATOM 1535 OE1 GLU B 4 7.451 2.360 1.706 1.00 0.00 O ATOM 1536 OE2 GLU B 4 8.445 1.070 0.296 1.00 0.00 O ATOM 0 H GLU B 4 4.244 5.446 0.313 1.00 0.00 H new ATOM 0 HA GLU B 4 6.404 5.266 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.525 4.420 0.744 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.265 3.252 0.398 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.692 2.166 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.935 3.381 -1.098 1.00 0.00 H new ATOM 1543 N LYS B 5 3.744 3.411 -2.135 1.00 0.00 N ATOM 1544 CA LYS B 5 3.139 2.554 -3.198 1.00 0.00 C ATOM 1545 C LYS B 5 2.777 3.421 -4.398 1.00 0.00 C ATOM 1546 O LYS B 5 2.812 2.978 -5.525 1.00 0.00 O ATOM 1547 CB LYS B 5 1.891 1.818 -2.662 1.00 0.00 C ATOM 1548 CG LYS B 5 0.653 2.730 -2.674 1.00 0.00 C ATOM 1549 CD LYS B 5 -0.510 2.032 -1.968 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.800 2.806 -2.246 1.00 0.00 C ATOM 1551 NZ LYS B 5 -2.937 2.163 -1.529 1.00 0.00 N ATOM 0 H LYS B 5 3.144 3.613 -1.335 1.00 0.00 H new ATOM 0 HA LYS B 5 3.864 1.800 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.699 0.934 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.080 1.471 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.880 3.673 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.376 2.970 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.603 1.005 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.324 1.983 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.692 3.841 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.999 2.827 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.719 2.000 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.626 1.254 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.260 2.786 -0.761 1.00 0.00 H new ATOM 1565 N ALA B 6 2.399 4.644 -4.162 1.00 0.00 N ATOM 1566 CA ALA B 6 2.007 5.523 -5.293 1.00 0.00 C ATOM 1567 C ALA B 6 3.217 5.864 -6.156 1.00 0.00 C ATOM 1568 O ALA B 6 3.151 5.813 -7.361 1.00 0.00 O ATOM 1569 CB ALA B 6 1.386 6.812 -4.747 1.00 0.00 C ATOM 0 H ALA B 6 2.345 5.071 -3.237 1.00 0.00 H new ATOM 0 HA ALA B 6 1.279 4.995 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.098 7.457 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.504 6.568 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.113 7.329 -4.121 1.00 0.00 H new ATOM 1575 N MET B 7 4.316 6.214 -5.558 1.00 0.00 N ATOM 1576 CA MET B 7 5.518 6.567 -6.369 1.00 0.00 C ATOM 1577 C MET B 7 5.954 5.373 -7.213 1.00 0.00 C ATOM 1578 O MET B 7 6.341 5.509 -8.361 1.00 0.00 O ATOM 1579 CB MET B 7 6.664 6.984 -5.438 1.00 0.00 C ATOM 1580 CG MET B 7 6.346 8.335 -4.791 1.00 0.00 C ATOM 1581 SD MET B 7 7.826 8.952 -3.944 1.00 0.00 S ATOM 1582 CE MET B 7 7.400 10.714 -3.955 1.00 0.00 C ATOM 0 H MET B 7 4.439 6.272 -4.547 1.00 0.00 H new ATOM 0 HA MET B 7 5.266 7.395 -7.031 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.811 6.228 -4.667 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.595 7.051 -6.001 1.00 0.00 H new ATOM 0 HG2 MET B 7 6.022 9.048 -5.549 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.525 8.228 -4.083 1.00 0.00 H new ATOM 0 HE1 MET B 7 8.099 11.261 -3.322 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.458 11.096 -4.974 1.00 0.00 H new ATOM 0 HE3 MET B 7 6.387 10.846 -3.575 1.00 0.00 H new ATOM 1592 N VAL B 8 5.895 4.207 -6.652 1.00 0.00 N ATOM 1593 CA VAL B 8 6.309 2.994 -7.407 1.00 0.00 C ATOM 1594 C VAL B 8 5.332 2.741 -8.558 1.00 0.00 C ATOM 1595 O VAL B 8 5.707 2.277 -9.614 1.00 0.00 O ATOM 1596 CB VAL B 8 6.333 1.788 -6.462 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.534 0.498 -7.267 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.484 1.955 -5.466 1.00 0.00 C ATOM 0 H VAL B 8 5.577 4.036 -5.698 1.00 0.00 H new ATOM 0 HA VAL B 8 7.307 3.146 -7.819 1.00 0.00 H new ATOM 0 HB VAL B 8 5.386 1.728 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.550 -0.355 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.716 0.381 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.479 0.550 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.507 1.100 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.428 2.015 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.337 2.869 -4.890 1.00 0.00 H new ATOM 1608 N ALA B 9 4.078 3.015 -8.346 1.00 0.00 N ATOM 1609 CA ALA B 9 3.060 2.765 -9.408 1.00 0.00 C ATOM 1610 C ALA B 9 3.237 3.726 -10.586 1.00 0.00 C ATOM 1611 O ALA B 9 3.022 3.358 -11.723 1.00 0.00 O ATOM 1612 CB ALA B 9 1.665 2.941 -8.827 1.00 0.00 C ATOM 0 H ALA B 9 3.709 3.404 -7.478 1.00 0.00 H new ATOM 0 HA ALA B 9 3.193 1.746 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA B 9 0.922 2.758 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.519 2.233 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.553 3.958 -8.450 1.00 0.00 H new ATOM 1618 N LEU B 10 3.613 4.952 -10.343 1.00 0.00 N ATOM 1619 CA LEU B 10 3.774 5.893 -11.487 1.00 0.00 C ATOM 1620 C LEU B 10 4.829 5.318 -12.418 1.00 0.00 C ATOM 1621 O LEU B 10 4.712 5.369 -13.626 1.00 0.00 O ATOM 1622 CB LEU B 10 4.261 7.263 -10.999 1.00 0.00 C ATOM 1623 CG LEU B 10 3.266 7.884 -10.014 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.763 9.284 -9.626 1.00 0.00 C ATOM 1625 CD2 LEU B 10 1.870 7.980 -10.653 1.00 0.00 C ATOM 0 H LEU B 10 3.812 5.337 -9.420 1.00 0.00 H new ATOM 0 HA LEU B 10 2.815 6.017 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.234 7.157 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.397 7.929 -11.851 1.00 0.00 H new ATOM 0 HG LEU B 10 3.193 7.257 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.063 9.737 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.745 9.205 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.835 9.905 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.174 8.423 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.921 8.602 -11.546 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.525 6.982 -10.925 1.00 0.00 H new ATOM 1637 N ILE B 11 5.860 4.766 -11.856 1.00 0.00 N ATOM 1638 CA ILE B 11 6.939 4.173 -12.686 1.00 0.00 C ATOM 1639 C ILE B 11 6.439 2.916 -13.424 1.00 0.00 C ATOM 1640 O ILE B 11 6.791 2.682 -14.563 1.00 0.00 O ATOM 1641 CB ILE B 11 8.133 3.838 -11.777 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.800 5.153 -11.338 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.138 2.962 -12.533 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.776 4.910 -10.182 1.00 0.00 C ATOM 0 H ILE B 11 6.004 4.699 -10.848 1.00 0.00 H new ATOM 0 HA ILE B 11 7.250 4.891 -13.445 1.00 0.00 H new ATOM 0 HB ILE B 11 7.790 3.288 -10.900 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.331 5.596 -12.181 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.037 5.868 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE B 11 9.980 2.730 -11.882 1.00 0.00 H new ATOM 0 HG22 ILE B 11 8.653 2.036 -12.843 1.00 0.00 H new ATOM 0 HG23 ILE B 11 9.496 3.496 -13.413 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.235 5.854 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.237 4.490 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.551 4.213 -10.501 1.00 0.00 H new ATOM 1656 N ASP B 12 5.653 2.091 -12.783 1.00 0.00 N ATOM 1657 CA ASP B 12 5.171 0.839 -13.452 1.00 0.00 C ATOM 1658 C ASP B 12 4.362 1.130 -14.727 1.00 0.00 C ATOM 1659 O ASP B 12 4.574 0.522 -15.757 1.00 0.00 O ATOM 1660 CB ASP B 12 4.285 0.062 -12.476 1.00 0.00 C ATOM 1661 CG ASP B 12 3.776 -1.216 -13.148 1.00 0.00 C ATOM 1662 OD1 ASP B 12 4.113 -1.433 -14.300 1.00 0.00 O ATOM 1663 OD2 ASP B 12 3.045 -1.949 -12.503 1.00 0.00 O ATOM 0 H ASP B 12 5.323 2.227 -11.827 1.00 0.00 H new ATOM 0 HA ASP B 12 6.049 0.260 -13.738 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.849 -0.188 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.443 0.680 -12.163 1.00 0.00 H new ATOM 1668 N VAL B 13 3.414 2.019 -14.658 1.00 0.00 N ATOM 1669 CA VAL B 13 2.559 2.309 -15.857 1.00 0.00 C ATOM 1670 C VAL B 13 3.377 3.023 -16.949 1.00 0.00 C ATOM 1671 O VAL B 13 3.224 2.758 -18.134 1.00 0.00 O ATOM 1672 CB VAL B 13 1.325 3.151 -15.400 1.00 0.00 C ATOM 1673 CG1 VAL B 13 1.244 4.505 -16.124 1.00 0.00 C ATOM 1674 CG2 VAL B 13 0.025 2.378 -15.676 1.00 0.00 C ATOM 0 H VAL B 13 3.188 2.562 -13.825 1.00 0.00 H new ATOM 0 HA VAL B 13 2.201 1.378 -16.297 1.00 0.00 H new ATOM 0 HB VAL B 13 1.448 3.333 -14.332 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.370 5.054 -15.773 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.144 5.084 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.161 4.339 -17.198 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.828 2.974 -15.353 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -0.057 2.174 -16.744 1.00 0.00 H new ATOM 0 HG23 VAL B 13 0.038 1.437 -15.127 1.00 0.00 H new ATOM 1684 N PHE B 14 4.226 3.929 -16.570 1.00 0.00 N ATOM 1685 CA PHE B 14 5.019 4.659 -17.592 1.00 0.00 C ATOM 1686 C PHE B 14 5.831 3.666 -18.410 1.00 0.00 C ATOM 1687 O PHE B 14 6.004 3.837 -19.592 1.00 0.00 O ATOM 1688 CB PHE B 14 5.957 5.663 -16.916 1.00 0.00 C ATOM 1689 CG PHE B 14 6.813 6.337 -17.965 1.00 0.00 C ATOM 1690 CD1 PHE B 14 6.302 7.409 -18.709 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.119 5.885 -18.200 1.00 0.00 C ATOM 1692 CE1 PHE B 14 7.097 8.028 -19.682 1.00 0.00 C ATOM 1693 CE2 PHE B 14 8.912 6.503 -19.172 1.00 0.00 C ATOM 1694 CZ PHE B 14 8.401 7.575 -19.914 1.00 0.00 C ATOM 0 H PHE B 14 4.406 4.196 -15.602 1.00 0.00 H new ATOM 0 HA PHE B 14 4.339 5.201 -18.249 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.378 6.408 -16.370 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.588 5.154 -16.188 1.00 0.00 H new ATOM 0 HD1 PHE B 14 5.295 7.758 -18.532 1.00 0.00 H new ATOM 0 HD2 PHE B 14 8.514 5.058 -17.629 1.00 0.00 H new ATOM 0 HE1 PHE B 14 6.704 8.855 -20.254 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.918 6.154 -19.350 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.013 8.052 -20.665 1.00 0.00 H new ATOM 1704 N HIS B 15 6.339 2.636 -17.802 1.00 0.00 N ATOM 1705 CA HIS B 15 7.137 1.651 -18.580 1.00 0.00 C ATOM 1706 C HIS B 15 6.229 0.869 -19.538 1.00 0.00 C ATOM 1707 O HIS B 15 6.679 0.371 -20.551 1.00 0.00 O ATOM 1708 CB HIS B 15 7.838 0.677 -17.623 1.00 0.00 C ATOM 1709 CG HIS B 15 9.053 1.333 -17.023 1.00 0.00 C ATOM 1710 ND1 HIS B 15 10.019 1.955 -17.804 1.00 0.00 N ATOM 1711 CD2 HIS B 15 9.483 1.459 -15.725 1.00 0.00 C ATOM 1712 CE1 HIS B 15 10.971 2.422 -16.976 1.00 0.00 C ATOM 1713 NE2 HIS B 15 10.692 2.145 -15.702 1.00 0.00 N ATOM 0 H HIS B 15 6.239 2.433 -16.808 1.00 0.00 H new ATOM 0 HA HIS B 15 7.886 2.188 -19.162 1.00 0.00 H new ATOM 0 HB2 HIS B 15 7.151 0.372 -16.833 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.129 -0.227 -18.159 1.00 0.00 H new ATOM 0 HD1 HIS B 15 10.008 2.042 -18.820 1.00 0.00 H new ATOM 0 HD2 HIS B 15 8.963 1.083 -14.856 1.00 0.00 H new ATOM 0 HE1 HIS B 15 11.852 2.955 -17.303 1.00 0.00 H new ATOM 1722 N GLN B 16 4.964 0.733 -19.235 1.00 0.00 N ATOM 1723 CA GLN B 16 4.081 -0.045 -20.149 1.00 0.00 C ATOM 1724 C GLN B 16 4.054 0.592 -21.546 1.00 0.00 C ATOM 1725 O GLN B 16 4.085 -0.102 -22.542 1.00 0.00 O ATOM 1726 CB GLN B 16 2.659 -0.070 -19.584 1.00 0.00 C ATOM 1727 CG GLN B 16 2.621 -0.935 -18.321 1.00 0.00 C ATOM 1728 CD GLN B 16 2.835 -2.404 -18.695 1.00 0.00 C ATOM 1729 OE1 GLN B 16 2.038 -2.985 -19.405 1.00 0.00 O ATOM 1730 NE2 GLN B 16 3.887 -3.031 -18.244 1.00 0.00 N ATOM 0 H GLN B 16 4.511 1.121 -18.407 1.00 0.00 H new ATOM 0 HA GLN B 16 4.471 -1.060 -20.229 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.331 0.943 -19.352 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.968 -0.466 -20.329 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.393 -0.611 -17.623 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.663 -0.814 -17.815 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.555 -2.543 -17.648 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.041 -4.010 -18.487 1.00 0.00 H new ATOM 1739 N TYR B 17 3.974 1.899 -21.639 1.00 0.00 N ATOM 1740 CA TYR B 17 3.918 2.553 -23.000 1.00 0.00 C ATOM 1741 C TYR B 17 5.293 3.022 -23.473 1.00 0.00 C ATOM 1742 O TYR B 17 5.554 3.104 -24.656 1.00 0.00 O ATOM 1743 CB TYR B 17 2.986 3.757 -22.929 1.00 0.00 C ATOM 1744 CG TYR B 17 1.583 3.248 -22.822 1.00 0.00 C ATOM 1745 CD1 TYR B 17 1.088 2.853 -21.584 1.00 0.00 C ATOM 1746 CD2 TYR B 17 0.795 3.134 -23.967 1.00 0.00 C ATOM 1747 CE1 TYR B 17 -0.203 2.345 -21.481 1.00 0.00 C ATOM 1748 CE2 TYR B 17 -0.497 2.620 -23.874 1.00 0.00 C ATOM 1749 CZ TYR B 17 -1.002 2.223 -22.629 1.00 0.00 C ATOM 1750 OH TYR B 17 -2.278 1.707 -22.536 1.00 0.00 O ATOM 0 H TYR B 17 3.945 2.540 -20.846 1.00 0.00 H new ATOM 0 HA TYR B 17 3.555 1.812 -23.712 1.00 0.00 H new ATOM 0 HB2 TYR B 17 3.232 4.380 -22.069 1.00 0.00 H new ATOM 0 HB3 TYR B 17 3.099 4.380 -23.816 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.706 2.941 -20.702 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.186 3.444 -24.925 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -0.590 2.045 -20.519 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -1.108 2.528 -24.760 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.302 1.017 -21.840 1.00 0.00 H new ATOM 1760 N SER B 18 6.158 3.357 -22.577 1.00 0.00 N ATOM 1761 CA SER B 18 7.492 3.849 -22.997 1.00 0.00 C ATOM 1762 C SER B 18 8.194 2.766 -23.816 1.00 0.00 C ATOM 1763 O SER B 18 8.839 3.042 -24.808 1.00 0.00 O ATOM 1764 CB SER B 18 8.310 4.177 -21.753 1.00 0.00 C ATOM 1765 OG SER B 18 7.633 5.178 -21.007 1.00 0.00 O ATOM 0 H SER B 18 6.005 3.314 -21.570 1.00 0.00 H new ATOM 0 HA SER B 18 7.388 4.745 -23.609 1.00 0.00 H new ATOM 0 HB2 SER B 18 8.447 3.282 -21.146 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.303 4.525 -22.036 1.00 0.00 H new ATOM 0 HG SER B 18 8.289 5.764 -20.575 1.00 0.00 H new ATOM 1771 N GLY B 19 8.064 1.533 -23.414 1.00 0.00 N ATOM 1772 CA GLY B 19 8.712 0.424 -24.169 1.00 0.00 C ATOM 1773 C GLY B 19 7.820 -0.013 -25.340 1.00 0.00 C ATOM 1774 O GLY B 19 8.114 -0.975 -26.020 1.00 0.00 O ATOM 0 H GLY B 19 7.535 1.244 -22.591 1.00 0.00 H new ATOM 0 HA2 GLY B 19 9.683 0.748 -24.543 1.00 0.00 H new ATOM 0 HA3 GLY B 19 8.892 -0.421 -23.505 1.00 0.00 H new ATOM 1778 N ARG B 20 6.722 0.658 -25.571 1.00 0.00 N ATOM 1779 CA ARG B 20 5.822 0.229 -26.684 1.00 0.00 C ATOM 1780 C ARG B 20 6.561 0.277 -28.027 1.00 0.00 C ATOM 1781 O ARG B 20 6.548 -0.679 -28.778 1.00 0.00 O ATOM 1782 CB ARG B 20 4.587 1.141 -26.731 1.00 0.00 C ATOM 1783 CG ARG B 20 3.710 0.804 -27.950 1.00 0.00 C ATOM 1784 CD ARG B 20 3.420 -0.698 -27.992 1.00 0.00 C ATOM 1785 NE ARG B 20 2.300 -0.976 -28.952 1.00 0.00 N ATOM 1786 CZ ARG B 20 1.092 -0.527 -28.750 1.00 0.00 C ATOM 1787 NH1 ARG B 20 0.793 0.083 -27.637 1.00 0.00 N ATOM 1788 NH2 ARG B 20 0.168 -0.721 -29.652 1.00 0.00 N ATOM 0 H ARG B 20 6.411 1.475 -25.045 1.00 0.00 H new ATOM 0 HA ARG B 20 5.507 -0.798 -26.502 1.00 0.00 H new ATOM 0 HB2 ARG B 20 4.007 1.024 -25.816 1.00 0.00 H new ATOM 0 HB3 ARG B 20 4.900 2.184 -26.779 1.00 0.00 H new ATOM 0 HG2 ARG B 20 2.775 1.361 -27.900 1.00 0.00 H new ATOM 0 HG3 ARG B 20 4.215 1.110 -28.866 1.00 0.00 H new ATOM 0 HD2 ARG B 20 4.315 -1.241 -28.296 1.00 0.00 H new ATOM 0 HD3 ARG B 20 3.154 -1.054 -26.997 1.00 0.00 H new ATOM 0 HE ARG B 20 2.489 -1.532 -29.786 1.00 0.00 H new ATOM 0 HH11 ARG B 20 1.505 0.211 -26.918 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -0.153 0.432 -27.485 1.00 0.00 H new ATOM 0 HH21 ARG B 20 0.392 -1.222 -30.512 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -0.778 -0.371 -29.497 1.00 0.00 H new ATOM 1802 N GLU B 21 7.215 1.371 -28.336 1.00 0.00 N ATOM 1803 CA GLU B 21 7.964 1.466 -29.634 1.00 0.00 C ATOM 1804 C GLU B 21 9.451 1.261 -29.363 1.00 0.00 C ATOM 1805 O GLU B 21 10.269 1.305 -30.260 1.00 0.00 O ATOM 1806 CB GLU B 21 7.757 2.845 -30.265 1.00 0.00 C ATOM 1807 CG GLU B 21 6.266 3.085 -30.506 1.00 0.00 C ATOM 1808 CD GLU B 21 5.729 2.041 -31.488 1.00 0.00 C ATOM 1809 OE1 GLU B 21 6.484 1.624 -32.351 1.00 0.00 O ATOM 1810 OE2 GLU B 21 4.572 1.676 -31.359 1.00 0.00 O ATOM 0 H GLU B 21 7.264 2.203 -27.748 1.00 0.00 H new ATOM 0 HA GLU B 21 7.594 0.702 -30.318 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.158 3.619 -29.610 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.302 2.910 -31.207 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.721 3.027 -29.564 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.109 4.088 -30.904 1.00 0.00 H new ATOM 1817 N GLY B 22 9.809 1.042 -28.125 1.00 0.00 N ATOM 1818 CA GLY B 22 11.246 0.836 -27.779 1.00 0.00 C ATOM 1819 C GLY B 22 11.837 2.139 -27.240 1.00 0.00 C ATOM 1820 O GLY B 22 12.978 2.180 -26.822 1.00 0.00 O ATOM 0 H GLY B 22 9.165 0.997 -27.335 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.341 0.046 -27.034 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.799 0.511 -28.660 1.00 0.00 H new ATOM 1824 N ASP B 23 11.078 3.206 -27.230 1.00 0.00 N ATOM 1825 CA ASP B 23 11.618 4.483 -26.698 1.00 0.00 C ATOM 1826 C ASP B 23 11.498 4.463 -25.174 1.00 0.00 C ATOM 1827 O ASP B 23 10.721 5.187 -24.589 1.00 0.00 O ATOM 1828 CB ASP B 23 10.809 5.645 -27.271 1.00 0.00 C ATOM 1829 CG ASP B 23 10.922 5.637 -28.797 1.00 0.00 C ATOM 1830 OD1 ASP B 23 12.036 5.554 -29.288 1.00 0.00 O ATOM 1831 OD2 ASP B 23 9.894 5.711 -29.448 1.00 0.00 O ATOM 0 H ASP B 23 10.116 3.243 -27.566 1.00 0.00 H new ATOM 0 HA ASP B 23 12.664 4.604 -26.981 1.00 0.00 H new ATOM 0 HB2 ASP B 23 9.764 5.558 -26.972 1.00 0.00 H new ATOM 0 HB3 ASP B 23 11.177 6.591 -26.873 1.00 0.00 H new ATOM 1836 N LYS B 24 12.256 3.620 -24.531 1.00 0.00 N ATOM 1837 CA LYS B 24 12.188 3.527 -23.046 1.00 0.00 C ATOM 1838 C LYS B 24 12.770 4.795 -22.407 1.00 0.00 C ATOM 1839 O LYS B 24 12.309 5.249 -21.378 1.00 0.00 O ATOM 1840 CB LYS B 24 12.983 2.304 -22.579 1.00 0.00 C ATOM 1841 CG LYS B 24 12.244 1.024 -22.992 1.00 0.00 C ATOM 1842 CD LYS B 24 12.901 -0.199 -22.336 1.00 0.00 C ATOM 1843 CE LYS B 24 14.323 -0.401 -22.874 1.00 0.00 C ATOM 1844 NZ LYS B 24 14.330 -0.258 -24.358 1.00 0.00 N ATOM 0 H LYS B 24 12.924 2.988 -24.973 1.00 0.00 H new ATOM 0 HA LYS B 24 11.146 3.427 -22.742 1.00 0.00 H new ATOM 0 HB2 LYS B 24 13.981 2.317 -23.016 1.00 0.00 H new ATOM 0 HB3 LYS B 24 13.109 2.331 -21.497 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.197 1.087 -22.695 1.00 0.00 H new ATOM 0 HG3 LYS B 24 12.262 0.918 -24.077 1.00 0.00 H new ATOM 0 HD2 LYS B 24 12.931 -0.066 -21.255 1.00 0.00 H new ATOM 0 HD3 LYS B 24 12.303 -1.089 -22.531 1.00 0.00 H new ATOM 0 HE2 LYS B 24 14.997 0.329 -22.427 1.00 0.00 H new ATOM 0 HE3 LYS B 24 14.690 -1.388 -22.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 15.180 -0.714 -24.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 13.482 -0.711 -24.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 14.333 0.751 -24.610 1.00 0.00 H new ATOM 1858 N HIS B 25 13.794 5.354 -22.995 1.00 0.00 N ATOM 1859 CA HIS B 25 14.426 6.577 -22.411 1.00 0.00 C ATOM 1860 C HIS B 25 13.595 7.831 -22.715 1.00 0.00 C ATOM 1861 O HIS B 25 13.741 8.844 -22.061 1.00 0.00 O ATOM 1862 CB HIS B 25 15.828 6.753 -23.002 1.00 0.00 C ATOM 1863 CG HIS B 25 16.756 5.712 -22.438 1.00 0.00 C ATOM 1864 ND1 HIS B 25 16.890 4.453 -23.007 1.00 0.00 N ATOM 1865 CD2 HIS B 25 17.614 5.732 -21.365 1.00 0.00 C ATOM 1866 CE1 HIS B 25 17.799 3.775 -22.281 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.269 4.510 -21.272 1.00 0.00 N ATOM 0 H HIS B 25 14.222 5.017 -23.857 1.00 0.00 H new ATOM 0 HA HIS B 25 14.480 6.450 -21.330 1.00 0.00 H new ATOM 0 HB2 HIS B 25 15.788 6.667 -24.088 1.00 0.00 H new ATOM 0 HB3 HIS B 25 16.205 7.750 -22.775 1.00 0.00 H new ATOM 0 HD2 HIS B 25 17.757 6.568 -20.697 1.00 0.00 H new ATOM 0 HE1 HIS B 25 18.109 2.762 -22.490 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.963 4.233 -20.578 1.00 0.00 H new ATOM 1876 N LYS B 26 12.742 7.789 -23.705 1.00 0.00 N ATOM 1877 CA LYS B 26 11.929 9.001 -24.045 1.00 0.00 C ATOM 1878 C LYS B 26 10.528 8.581 -24.492 1.00 0.00 C ATOM 1879 O LYS B 26 10.304 7.460 -24.894 1.00 0.00 O ATOM 1880 CB LYS B 26 12.635 9.763 -25.171 1.00 0.00 C ATOM 1881 CG LYS B 26 12.612 8.925 -26.449 1.00 0.00 C ATOM 1882 CD LYS B 26 13.522 9.561 -27.497 1.00 0.00 C ATOM 1883 CE LYS B 26 13.301 8.864 -28.839 1.00 0.00 C ATOM 1884 NZ LYS B 26 14.135 9.517 -29.886 1.00 0.00 N ATOM 0 H LYS B 26 12.571 6.973 -24.292 1.00 0.00 H new ATOM 0 HA LYS B 26 11.833 9.642 -23.169 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.141 10.719 -25.342 1.00 0.00 H new ATOM 0 HB3 LYS B 26 13.664 9.982 -24.886 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.942 7.909 -26.235 1.00 0.00 H new ATOM 0 HG3 LYS B 26 11.594 8.855 -26.832 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.306 10.626 -27.586 1.00 0.00 H new ATOM 0 HD3 LYS B 26 14.565 9.471 -27.194 1.00 0.00 H new ATOM 0 HE2 LYS B 26 13.561 7.809 -28.759 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.248 8.913 -29.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 13.983 9.041 -30.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 13.867 10.518 -29.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.139 9.448 -29.623 1.00 0.00 H new ATOM 1898 N LEU B 27 9.582 9.482 -24.414 1.00 0.00 N ATOM 1899 CA LEU B 27 8.174 9.165 -24.819 1.00 0.00 C ATOM 1900 C LEU B 27 7.787 10.069 -25.990 1.00 0.00 C ATOM 1901 O LEU B 27 7.977 11.265 -25.937 1.00 0.00 O ATOM 1902 CB LEU B 27 7.250 9.453 -23.632 1.00 0.00 C ATOM 1903 CG LEU B 27 5.837 8.908 -23.905 1.00 0.00 C ATOM 1904 CD1 LEU B 27 5.796 7.387 -23.679 1.00 0.00 C ATOM 1905 CD2 LEU B 27 4.839 9.594 -22.961 1.00 0.00 C ATOM 0 H LEU B 27 9.725 10.436 -24.083 1.00 0.00 H new ATOM 0 HA LEU B 27 8.086 8.119 -25.114 1.00 0.00 H new ATOM 0 HB2 LEU B 27 7.655 8.996 -22.729 1.00 0.00 H new ATOM 0 HB3 LEU B 27 7.204 10.527 -23.452 1.00 0.00 H new ATOM 0 HG LEU B 27 5.570 9.115 -24.941 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.790 7.017 -23.876 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.500 6.900 -24.353 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.069 7.165 -22.647 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.836 9.211 -23.151 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.116 9.389 -21.927 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.855 10.670 -23.134 1.00 0.00 H new ATOM 1917 N LYS B 28 7.254 9.519 -27.054 1.00 0.00 N ATOM 1918 CA LYS B 28 6.867 10.364 -28.224 1.00 0.00 C ATOM 1919 C LYS B 28 5.364 10.641 -28.190 1.00 0.00 C ATOM 1920 O LYS B 28 4.580 9.802 -27.791 1.00 0.00 O ATOM 1921 CB LYS B 28 7.235 9.619 -29.514 1.00 0.00 C ATOM 1922 CG LYS B 28 6.819 10.439 -30.739 1.00 0.00 C ATOM 1923 CD LYS B 28 7.346 9.772 -32.010 1.00 0.00 C ATOM 1924 CE LYS B 28 6.899 10.585 -33.226 1.00 0.00 C ATOM 1925 NZ LYS B 28 7.529 11.934 -33.177 1.00 0.00 N ATOM 0 H LYS B 28 7.071 8.521 -27.162 1.00 0.00 H new ATOM 0 HA LYS B 28 7.397 11.316 -28.185 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.309 9.432 -29.540 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.742 8.647 -29.534 1.00 0.00 H new ATOM 0 HG2 LYS B 28 5.733 10.519 -30.783 1.00 0.00 H new ATOM 0 HG3 LYS B 28 7.211 11.453 -30.660 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.434 9.710 -31.979 1.00 0.00 H new ATOM 0 HD3 LYS B 28 6.971 8.751 -32.082 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.183 10.072 -34.145 1.00 0.00 H new ATOM 0 HE3 LYS B 28 5.813 10.679 -33.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 7.295 12.458 -34.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.171 12.454 -32.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.561 11.833 -33.102 1.00 0.00 H new ATOM 1939 N LYS B 29 4.961 11.821 -28.604 1.00 0.00 N ATOM 1940 CA LYS B 29 3.516 12.185 -28.611 1.00 0.00 C ATOM 1941 C LYS B 29 2.691 10.994 -29.093 1.00 0.00 C ATOM 1942 O LYS B 29 1.513 10.884 -28.828 1.00 0.00 O ATOM 1943 CB LYS B 29 3.305 13.366 -29.569 1.00 0.00 C ATOM 1944 CG LYS B 29 3.498 12.921 -31.025 1.00 0.00 C ATOM 1945 CD LYS B 29 3.516 14.154 -31.930 1.00 0.00 C ATOM 1946 CE LYS B 29 3.477 13.713 -33.393 1.00 0.00 C ATOM 1947 NZ LYS B 29 4.760 13.038 -33.739 1.00 0.00 N ATOM 0 H LYS B 29 5.585 12.554 -28.941 1.00 0.00 H new ATOM 0 HA LYS B 29 3.202 12.460 -27.604 1.00 0.00 H new ATOM 0 HB2 LYS B 29 2.303 13.774 -29.437 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.008 14.165 -29.331 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.431 12.366 -31.128 1.00 0.00 H new ATOM 0 HG3 LYS B 29 2.693 12.249 -31.322 1.00 0.00 H new ATOM 0 HD2 LYS B 29 2.661 14.793 -31.709 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.413 14.744 -31.741 1.00 0.00 H new ATOM 0 HE2 LYS B 29 2.640 13.035 -33.558 1.00 0.00 H new ATOM 0 HE3 LYS B 29 3.321 14.576 -34.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.260 13.593 -34.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.354 12.964 -32.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.563 12.086 -34.107 1.00 0.00 H new ATOM 1961 N SER B 30 3.314 10.117 -29.819 1.00 0.00 N ATOM 1962 CA SER B 30 2.587 8.927 -30.347 1.00 0.00 C ATOM 1963 C SER B 30 2.297 7.956 -29.208 1.00 0.00 C ATOM 1964 O SER B 30 1.164 7.592 -28.962 1.00 0.00 O ATOM 1965 CB SER B 30 3.448 8.236 -31.406 1.00 0.00 C ATOM 1966 OG SER B 30 2.760 7.092 -31.894 1.00 0.00 O ATOM 0 H SER B 30 4.300 10.169 -30.073 1.00 0.00 H new ATOM 0 HA SER B 30 1.645 9.245 -30.795 1.00 0.00 H new ATOM 0 HB2 SER B 30 3.661 8.924 -32.224 1.00 0.00 H new ATOM 0 HB3 SER B 30 4.407 7.943 -30.978 1.00 0.00 H new ATOM 0 HG SER B 30 3.307 6.647 -32.574 1.00 0.00 H new ATOM 1972 N GLU B 31 3.308 7.547 -28.500 1.00 0.00 N ATOM 1973 CA GLU B 31 3.087 6.615 -27.365 1.00 0.00 C ATOM 1974 C GLU B 31 2.216 7.314 -26.329 1.00 0.00 C ATOM 1975 O GLU B 31 1.419 6.699 -25.655 1.00 0.00 O ATOM 1976 CB GLU B 31 4.421 6.245 -26.724 1.00 0.00 C ATOM 1977 CG GLU B 31 5.219 5.354 -27.672 1.00 0.00 C ATOM 1978 CD GLU B 31 6.536 4.972 -26.999 1.00 0.00 C ATOM 1979 OE1 GLU B 31 6.563 4.939 -25.782 1.00 0.00 O ATOM 1980 OE2 GLU B 31 7.494 4.729 -27.706 1.00 0.00 O ATOM 0 H GLU B 31 4.279 7.818 -28.658 1.00 0.00 H new ATOM 0 HA GLU B 31 2.602 5.708 -27.726 1.00 0.00 H new ATOM 0 HB2 GLU B 31 4.988 7.147 -26.495 1.00 0.00 H new ATOM 0 HB3 GLU B 31 4.250 5.727 -25.780 1.00 0.00 H new ATOM 0 HG2 GLU B 31 4.648 4.459 -27.919 1.00 0.00 H new ATOM 0 HG3 GLU B 31 5.412 5.877 -28.609 1.00 0.00 H new ATOM 1987 N LEU B 32 2.380 8.599 -26.193 1.00 0.00 N ATOM 1988 CA LEU B 32 1.583 9.358 -25.193 1.00 0.00 C ATOM 1989 C LEU B 32 0.095 9.215 -25.511 1.00 0.00 C ATOM 1990 O LEU B 32 -0.709 8.981 -24.639 1.00 0.00 O ATOM 1991 CB LEU B 32 1.988 10.831 -25.267 1.00 0.00 C ATOM 1992 CG LEU B 32 1.110 11.688 -24.349 1.00 0.00 C ATOM 1993 CD1 LEU B 32 1.120 11.124 -22.923 1.00 0.00 C ATOM 1994 CD2 LEU B 32 1.663 13.117 -24.338 1.00 0.00 C ATOM 0 H LEU B 32 3.037 9.160 -26.736 1.00 0.00 H new ATOM 0 HA LEU B 32 1.769 8.971 -24.191 1.00 0.00 H new ATOM 0 HB2 LEU B 32 3.034 10.939 -24.981 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.901 11.185 -26.294 1.00 0.00 H new ATOM 0 HG LEU B 32 0.084 11.682 -24.718 1.00 0.00 H new ATOM 0 HD11 LEU B 32 0.492 11.743 -22.282 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.735 10.104 -22.932 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.140 11.123 -22.539 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.048 13.740 -23.688 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.688 13.108 -23.968 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.647 13.521 -25.350 1.00 0.00 H new ATOM 2006 N LYS B 33 -0.275 9.353 -26.753 1.00 0.00 N ATOM 2007 CA LYS B 33 -1.718 9.216 -27.128 1.00 0.00 C ATOM 2008 C LYS B 33 -2.216 7.805 -26.823 1.00 0.00 C ATOM 2009 O LYS B 33 -3.332 7.615 -26.383 1.00 0.00 O ATOM 2010 CB LYS B 33 -1.884 9.496 -28.624 1.00 0.00 C ATOM 2011 CG LYS B 33 -3.369 9.420 -29.006 1.00 0.00 C ATOM 2012 CD LYS B 33 -3.524 9.722 -30.497 1.00 0.00 C ATOM 2013 CE LYS B 33 -5.001 9.648 -30.888 1.00 0.00 C ATOM 2014 NZ LYS B 33 -5.177 10.212 -32.256 1.00 0.00 N ATOM 0 H LYS B 33 0.356 9.555 -27.528 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.301 9.931 -26.548 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -1.487 10.482 -28.865 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.312 8.772 -29.204 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -3.764 8.429 -28.781 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -3.945 10.134 -28.417 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -3.128 10.713 -30.720 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.946 9.008 -31.084 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.345 8.614 -30.861 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.607 10.204 -30.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.978 9.743 -32.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.365 11.233 -32.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.311 10.055 -32.810 1.00 0.00 H new ATOM 2028 N GLU B 34 -1.416 6.813 -27.080 1.00 0.00 N ATOM 2029 CA GLU B 34 -1.863 5.425 -26.835 1.00 0.00 C ATOM 2030 C GLU B 34 -2.048 5.216 -25.331 1.00 0.00 C ATOM 2031 O GLU B 34 -2.859 4.435 -24.907 1.00 0.00 O ATOM 2032 CB GLU B 34 -0.825 4.450 -27.408 1.00 0.00 C ATOM 2033 CG GLU B 34 -1.478 3.094 -27.693 1.00 0.00 C ATOM 2034 CD GLU B 34 -2.425 3.227 -28.888 1.00 0.00 C ATOM 2035 OE1 GLU B 34 -2.472 4.301 -29.466 1.00 0.00 O ATOM 2036 OE2 GLU B 34 -3.088 2.253 -29.203 1.00 0.00 O ATOM 0 H GLU B 34 -0.470 6.907 -27.450 1.00 0.00 H new ATOM 0 HA GLU B 34 -2.817 5.239 -27.329 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.399 4.857 -28.325 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.003 4.326 -26.703 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.713 2.346 -27.903 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.027 2.751 -26.816 1.00 0.00 H new ATOM 2043 N LEU B 35 -1.310 5.919 -24.521 1.00 0.00 N ATOM 2044 CA LEU B 35 -1.481 5.777 -23.046 1.00 0.00 C ATOM 2045 C LEU B 35 -2.801 6.424 -22.636 1.00 0.00 C ATOM 2046 O LEU B 35 -3.554 5.899 -21.839 1.00 0.00 O ATOM 2047 CB LEU B 35 -0.321 6.487 -22.327 1.00 0.00 C ATOM 2048 CG LEU B 35 -0.632 6.639 -20.808 1.00 0.00 C ATOM 2049 CD1 LEU B 35 0.637 6.405 -19.977 1.00 0.00 C ATOM 2050 CD2 LEU B 35 -1.171 8.055 -20.502 1.00 0.00 C ATOM 0 H LEU B 35 -0.596 6.586 -24.814 1.00 0.00 H new ATOM 0 HA LEU B 35 -1.485 4.722 -22.774 1.00 0.00 H new ATOM 0 HB2 LEU B 35 0.600 5.919 -22.461 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -0.157 7.469 -22.771 1.00 0.00 H new ATOM 0 HG LEU B 35 -1.387 5.897 -20.546 1.00 0.00 H new ATOM 0 HD11 LEU B 35 0.404 6.515 -18.918 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.014 5.399 -20.163 1.00 0.00 H new ATOM 0 HD13 LEU B 35 1.396 7.135 -20.259 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -1.382 8.141 -19.436 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -0.425 8.797 -20.785 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -2.086 8.226 -21.068 1.00 0.00 H new ATOM 2062 N ILE B 36 -3.059 7.587 -23.160 1.00 0.00 N ATOM 2063 CA ILE B 36 -4.293 8.330 -22.805 1.00 0.00 C ATOM 2064 C ILE B 36 -5.526 7.634 -23.380 1.00 0.00 C ATOM 2065 O ILE B 36 -6.512 7.439 -22.698 1.00 0.00 O ATOM 2066 CB ILE B 36 -4.174 9.747 -23.381 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -2.943 10.427 -22.771 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -5.429 10.562 -23.051 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -2.659 11.736 -23.507 1.00 0.00 C ATOM 0 H ILE B 36 -2.455 8.061 -23.831 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.405 8.366 -21.721 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.071 9.690 -24.465 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -3.111 10.623 -21.712 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.079 9.766 -22.839 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -5.331 11.565 -23.466 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -6.303 10.075 -23.483 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -5.547 10.627 -21.969 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.783 12.216 -23.070 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.471 11.528 -24.560 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.520 12.399 -23.416 1.00 0.00 H new ATOM 2081 N ASN B 37 -5.495 7.286 -24.634 1.00 0.00 N ATOM 2082 CA ASN B 37 -6.681 6.636 -25.253 1.00 0.00 C ATOM 2083 C ASN B 37 -6.793 5.157 -24.870 1.00 0.00 C ATOM 2084 O ASN B 37 -7.875 4.605 -24.823 1.00 0.00 O ATOM 2085 CB ASN B 37 -6.570 6.760 -26.773 1.00 0.00 C ATOM 2086 CG ASN B 37 -6.719 8.229 -27.174 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -7.302 9.012 -26.450 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -6.205 8.643 -28.300 1.00 0.00 N ATOM 0 H ASN B 37 -4.700 7.424 -25.257 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.576 7.138 -24.885 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.608 6.375 -27.111 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -7.341 6.160 -27.255 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -6.293 9.622 -28.571 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -5.715 7.987 -28.909 1.00 0.00 H new ATOM 2095 N ASN B 38 -5.692 4.499 -24.646 1.00 0.00 N ATOM 2096 CA ASN B 38 -5.735 3.028 -24.323 1.00 0.00 C ATOM 2097 C ASN B 38 -5.647 2.745 -22.813 1.00 0.00 C ATOM 2098 O ASN B 38 -6.298 1.845 -22.319 1.00 0.00 O ATOM 2099 CB ASN B 38 -4.567 2.320 -25.037 1.00 0.00 C ATOM 2100 CG ASN B 38 -4.929 0.856 -25.309 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -5.912 0.309 -24.648 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -4.309 0.206 -26.127 1.00 0.00 N flip ATOM 0 H ASN B 38 -4.758 4.908 -24.670 1.00 0.00 H new ATOM 0 HA ASN B 38 -6.696 2.648 -24.669 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -4.342 2.828 -25.975 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -3.668 2.373 -24.422 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -3.541 0.635 -26.643 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -4.557 -0.769 -26.298 1.00 0.00 H new ATOM 2109 N GLU B 39 -4.829 3.454 -22.074 1.00 0.00 N ATOM 2110 CA GLU B 39 -4.710 3.136 -20.609 1.00 0.00 C ATOM 2111 C GLU B 39 -5.759 3.899 -19.803 1.00 0.00 C ATOM 2112 O GLU B 39 -6.072 3.533 -18.687 1.00 0.00 O ATOM 2113 CB GLU B 39 -3.304 3.507 -20.096 1.00 0.00 C ATOM 2114 CG GLU B 39 -3.004 2.719 -18.811 1.00 0.00 C ATOM 2115 CD GLU B 39 -2.620 1.277 -19.170 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -2.886 0.875 -20.290 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -2.056 0.605 -18.324 1.00 0.00 O ATOM 0 H GLU B 39 -4.249 4.223 -22.408 1.00 0.00 H new ATOM 0 HA GLU B 39 -4.874 2.066 -20.481 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.556 3.282 -20.857 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.247 4.578 -19.901 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.193 3.196 -18.261 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.877 2.722 -18.158 1.00 0.00 H new ATOM 2124 N LEU B 40 -6.310 4.947 -20.354 1.00 0.00 N ATOM 2125 CA LEU B 40 -7.351 5.738 -19.622 1.00 0.00 C ATOM 2126 C LEU B 40 -8.661 5.645 -20.408 1.00 0.00 C ATOM 2127 O LEU B 40 -9.301 6.638 -20.688 1.00 0.00 O ATOM 2128 CB LEU B 40 -6.916 7.209 -19.519 1.00 0.00 C ATOM 2129 CG LEU B 40 -5.409 7.312 -19.227 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -4.989 8.791 -19.192 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -5.100 6.669 -17.871 1.00 0.00 C ATOM 0 H LEU B 40 -6.084 5.294 -21.286 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.482 5.342 -18.615 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.147 7.728 -20.449 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.479 7.705 -18.729 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.858 6.793 -20.011 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.921 8.861 -18.985 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.203 9.253 -20.156 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.545 9.309 -18.410 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.032 6.744 -17.668 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.655 7.186 -17.088 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -5.393 5.619 -17.891 1.00 0.00 H new ATOM 2143 N SER B 41 -9.041 4.458 -20.795 1.00 0.00 N ATOM 2144 CA SER B 41 -10.285 4.288 -21.599 1.00 0.00 C ATOM 2145 C SER B 41 -11.519 4.798 -20.843 1.00 0.00 C ATOM 2146 O SER B 41 -12.394 5.401 -21.432 1.00 0.00 O ATOM 2147 CB SER B 41 -10.475 2.805 -21.919 1.00 0.00 C ATOM 2148 OG SER B 41 -10.728 2.092 -20.715 1.00 0.00 O ATOM 0 H SER B 41 -8.540 3.594 -20.588 1.00 0.00 H new ATOM 0 HA SER B 41 -10.180 4.870 -22.514 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.305 2.675 -22.613 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.585 2.410 -22.409 1.00 0.00 H new ATOM 0 HG SER B 41 -10.852 1.141 -20.918 1.00 0.00 H new ATOM 2154 N HIS B 42 -11.616 4.553 -19.557 1.00 0.00 N ATOM 2155 CA HIS B 42 -12.820 5.019 -18.783 1.00 0.00 C ATOM 2156 C HIS B 42 -12.392 5.778 -17.526 1.00 0.00 C ATOM 2157 O HIS B 42 -13.158 6.532 -16.959 1.00 0.00 O ATOM 2158 CB HIS B 42 -13.650 3.802 -18.368 1.00 0.00 C ATOM 2159 CG HIS B 42 -14.865 4.264 -17.613 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -14.811 4.599 -16.269 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -16.170 4.460 -17.998 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -16.048 4.975 -15.894 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -16.910 4.909 -16.910 1.00 0.00 N ATOM 0 H HIS B 42 -10.917 4.052 -19.008 1.00 0.00 H new ATOM 0 HA HIS B 42 -13.407 5.684 -19.416 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -13.949 3.234 -19.249 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -13.053 3.135 -17.746 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -16.560 4.291 -18.991 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -16.310 5.291 -14.895 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -17.903 5.140 -16.892 1.00 0.00 H new ATOM 2172 N PHE B 43 -11.189 5.580 -17.074 1.00 0.00 N ATOM 2173 CA PHE B 43 -10.733 6.285 -15.843 1.00 0.00 C ATOM 2174 C PHE B 43 -10.705 7.803 -16.091 1.00 0.00 C ATOM 2175 O PHE B 43 -11.048 8.584 -15.226 1.00 0.00 O ATOM 2176 CB PHE B 43 -9.348 5.751 -15.446 1.00 0.00 C ATOM 2177 CG PHE B 43 -8.721 6.572 -14.327 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -9.492 7.085 -13.267 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -7.341 6.811 -14.354 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.879 7.832 -12.253 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.733 7.558 -13.341 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.501 8.069 -12.291 1.00 0.00 C ATOM 0 H PHE B 43 -10.500 4.961 -17.502 1.00 0.00 H new ATOM 0 HA PHE B 43 -11.424 6.098 -15.021 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -9.437 4.712 -15.128 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -8.692 5.763 -16.316 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -10.556 6.903 -13.236 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.743 6.416 -15.162 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.471 8.226 -11.440 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.669 7.740 -13.370 1.00 0.00 H new ATOM 0 HZ PHE B 43 -7.031 8.647 -11.509 1.00 0.00 H new ATOM 2192 N LEU B 44 -10.311 8.227 -17.269 1.00 0.00 N ATOM 2193 CA LEU B 44 -10.274 9.695 -17.585 1.00 0.00 C ATOM 2194 C LEU B 44 -10.797 9.891 -19.009 1.00 0.00 C ATOM 2195 O LEU B 44 -10.732 8.993 -19.824 1.00 0.00 O ATOM 2196 CB LEU B 44 -8.828 10.198 -17.507 1.00 0.00 C ATOM 2197 CG LEU B 44 -8.773 11.731 -17.615 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -9.322 12.389 -16.337 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -7.317 12.155 -17.827 1.00 0.00 C ATOM 0 H LEU B 44 -10.012 7.618 -18.030 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.887 10.249 -16.873 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.378 9.879 -16.567 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.240 9.752 -18.309 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.388 12.053 -18.455 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.273 13.473 -16.436 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -10.358 12.085 -16.187 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.724 12.076 -15.481 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.262 13.241 -17.906 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -6.714 11.821 -16.982 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -6.937 11.705 -18.744 1.00 0.00 H new ATOM 2211 N GLU B 45 -11.312 11.046 -19.331 1.00 0.00 N ATOM 2212 CA GLU B 45 -11.819 11.244 -20.715 1.00 0.00 C ATOM 2213 C GLU B 45 -10.658 11.057 -21.690 1.00 0.00 C ATOM 2214 O GLU B 45 -9.717 11.823 -21.712 1.00 0.00 O ATOM 2215 CB GLU B 45 -12.389 12.655 -20.871 1.00 0.00 C ATOM 2216 CG GLU B 45 -12.972 12.821 -22.280 1.00 0.00 C ATOM 2217 CD GLU B 45 -13.541 14.233 -22.431 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -13.603 14.934 -21.435 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -13.908 14.588 -23.538 1.00 0.00 O ATOM 0 H GLU B 45 -11.402 11.848 -18.707 1.00 0.00 H new ATOM 0 HA GLU B 45 -12.608 10.521 -20.921 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.163 12.830 -20.123 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -11.607 13.395 -20.700 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.199 12.647 -23.028 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.754 12.081 -22.451 1.00 0.00 H new ATOM 2226 N GLU B 46 -10.726 10.040 -22.492 1.00 0.00 N ATOM 2227 CA GLU B 46 -9.638 9.783 -23.476 1.00 0.00 C ATOM 2228 C GLU B 46 -9.627 10.883 -24.544 1.00 0.00 C ATOM 2229 O GLU B 46 -10.454 11.774 -24.547 1.00 0.00 O ATOM 2230 CB GLU B 46 -9.835 8.409 -24.139 1.00 0.00 C ATOM 2231 CG GLU B 46 -11.322 8.084 -24.275 1.00 0.00 C ATOM 2232 CD GLU B 46 -11.886 7.570 -22.944 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -11.101 7.274 -22.060 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -13.098 7.486 -22.831 1.00 0.00 O ATOM 0 H GLU B 46 -11.493 9.368 -22.512 1.00 0.00 H new ATOM 0 HA GLU B 46 -8.682 9.787 -22.952 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -9.365 8.403 -25.122 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -9.342 7.639 -23.545 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.867 8.974 -24.588 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.466 7.333 -25.052 1.00 0.00 H new ATOM 2241 N ILE B 47 -8.680 10.816 -25.447 1.00 0.00 N ATOM 2242 CA ILE B 47 -8.564 11.837 -26.533 1.00 0.00 C ATOM 2243 C ILE B 47 -8.957 11.203 -27.867 1.00 0.00 C ATOM 2244 O ILE B 47 -8.584 10.086 -28.167 1.00 0.00 O ATOM 2245 CB ILE B 47 -7.120 12.328 -26.580 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -6.818 13.026 -25.253 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -6.923 13.298 -27.750 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -5.347 13.410 -25.190 1.00 0.00 C ATOM 0 H ILE B 47 -7.970 10.084 -25.477 1.00 0.00 H new ATOM 0 HA ILE B 47 -9.228 12.680 -26.341 1.00 0.00 H new ATOM 0 HB ILE B 47 -6.441 11.488 -26.728 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -7.439 13.916 -25.151 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -7.066 12.367 -24.421 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -5.888 13.639 -27.770 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.156 12.791 -28.686 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -7.585 14.155 -27.627 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -5.141 13.906 -24.242 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -4.733 12.513 -25.271 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.112 14.086 -26.012 1.00 0.00 H new ATOM 2260 N LYS B 48 -9.745 11.893 -28.651 1.00 0.00 N ATOM 2261 CA LYS B 48 -10.217 11.325 -29.952 1.00 0.00 C ATOM 2262 C LYS B 48 -9.412 11.917 -31.119 1.00 0.00 C ATOM 2263 O LYS B 48 -9.368 11.350 -32.193 1.00 0.00 O ATOM 2264 CB LYS B 48 -11.709 11.678 -30.133 1.00 0.00 C ATOM 2265 CG LYS B 48 -12.426 11.719 -28.770 1.00 0.00 C ATOM 2266 CD LYS B 48 -12.450 10.332 -28.129 1.00 0.00 C ATOM 2267 CE LYS B 48 -12.938 10.460 -26.685 1.00 0.00 C ATOM 2268 NZ LYS B 48 -14.074 11.424 -26.620 1.00 0.00 N ATOM 0 H LYS B 48 -10.085 12.832 -28.445 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.079 10.244 -29.944 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.802 12.645 -30.628 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.187 10.942 -30.779 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -11.920 12.422 -28.108 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.445 12.082 -28.901 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -13.107 9.669 -28.691 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.454 9.889 -28.152 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.253 9.486 -26.310 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.124 10.799 -26.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.605 11.276 -25.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.706 12.396 -26.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -14.705 11.273 -27.433 1.00 0.00 H new ATOM 2282 N GLU B 49 -8.790 13.056 -30.924 1.00 0.00 N ATOM 2283 CA GLU B 49 -8.000 13.701 -32.023 1.00 0.00 C ATOM 2284 C GLU B 49 -6.530 13.802 -31.625 1.00 0.00 C ATOM 2285 O GLU B 49 -6.197 14.105 -30.498 1.00 0.00 O ATOM 2286 CB GLU B 49 -8.546 15.105 -32.281 1.00 0.00 C ATOM 2287 CG GLU B 49 -9.887 15.007 -33.001 1.00 0.00 C ATOM 2288 CD GLU B 49 -10.551 16.386 -33.040 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -9.959 17.322 -32.527 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -11.639 16.483 -33.584 1.00 0.00 O ATOM 0 H GLU B 49 -8.796 13.571 -30.043 1.00 0.00 H new ATOM 0 HA GLU B 49 -8.086 13.095 -32.925 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -8.666 15.639 -31.338 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -7.839 15.676 -32.883 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -9.741 14.634 -34.015 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -10.535 14.295 -32.490 1.00 0.00 H new ATOM 2297 N GLN B 50 -5.649 13.556 -32.553 1.00 0.00 N ATOM 2298 CA GLN B 50 -4.196 13.641 -32.250 1.00 0.00 C ATOM 2299 C GLN B 50 -3.787 15.105 -32.057 1.00 0.00 C ATOM 2300 O GLN B 50 -2.756 15.394 -31.487 1.00 0.00 O ATOM 2301 CB GLN B 50 -3.404 13.017 -33.406 1.00 0.00 C ATOM 2302 CG GLN B 50 -3.672 13.788 -34.706 1.00 0.00 C ATOM 2303 CD GLN B 50 -2.803 15.048 -34.757 1.00 0.00 C ATOM 2304 OE1 GLN B 50 -3.371 16.220 -34.682 1.00 0.00 O flip ATOM 2305 NE2 GLN B 50 -1.596 14.964 -34.866 1.00 0.00 N flip ATOM 0 H GLN B 50 -5.875 13.298 -33.514 1.00 0.00 H new ATOM 0 HA GLN B 50 -3.981 13.097 -31.330 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -2.338 13.033 -33.177 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -3.688 11.972 -33.529 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -3.457 13.153 -35.566 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -4.726 14.060 -34.766 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -1.152 14.048 -34.925 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -1.027 15.810 -34.899 1.00 0.00 H new ATOM 2314 N GLU B 51 -4.579 16.032 -32.529 1.00 0.00 N ATOM 2315 CA GLU B 51 -4.214 17.475 -32.364 1.00 0.00 C ATOM 2316 C GLU B 51 -4.242 17.845 -30.886 1.00 0.00 C ATOM 2317 O GLU B 51 -3.398 18.570 -30.407 1.00 0.00 O ATOM 2318 CB GLU B 51 -5.195 18.354 -33.151 1.00 0.00 C ATOM 2319 CG GLU B 51 -6.525 18.468 -32.396 1.00 0.00 C ATOM 2320 CD GLU B 51 -7.612 18.980 -33.344 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -8.184 18.168 -34.052 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -7.850 20.176 -33.348 1.00 0.00 O ATOM 0 H GLU B 51 -5.457 15.857 -33.018 1.00 0.00 H new ATOM 0 HA GLU B 51 -3.208 17.640 -32.751 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -4.767 19.345 -33.301 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -5.365 17.927 -34.140 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -6.809 17.497 -31.991 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -6.417 19.147 -31.550 1.00 0.00 H new ATOM 2329 N VAL B 52 -5.198 17.352 -30.158 1.00 0.00 N ATOM 2330 CA VAL B 52 -5.261 17.680 -28.716 1.00 0.00 C ATOM 2331 C VAL B 52 -3.983 17.194 -28.073 1.00 0.00 C ATOM 2332 O VAL B 52 -3.419 17.843 -27.226 1.00 0.00 O ATOM 2333 CB VAL B 52 -6.455 16.971 -28.087 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -6.437 17.167 -26.569 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -7.747 17.533 -28.674 1.00 0.00 C ATOM 0 H VAL B 52 -5.937 16.737 -30.500 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.373 18.754 -28.571 1.00 0.00 H new ATOM 0 HB VAL B 52 -6.398 15.904 -28.303 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -7.293 16.658 -26.126 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.516 16.752 -26.159 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -6.489 18.231 -26.339 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -8.601 17.027 -28.225 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -7.807 18.601 -28.465 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -7.756 17.373 -29.752 1.00 0.00 H new ATOM 2345 N VAL B 53 -3.526 16.053 -28.475 1.00 0.00 N ATOM 2346 CA VAL B 53 -2.275 15.512 -27.901 1.00 0.00 C ATOM 2347 C VAL B 53 -1.128 16.459 -28.199 1.00 0.00 C ATOM 2348 O VAL B 53 -0.282 16.675 -27.376 1.00 0.00 O ATOM 2349 CB VAL B 53 -1.989 14.158 -28.528 1.00 0.00 C ATOM 2350 CG1 VAL B 53 -0.736 13.550 -27.894 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -3.195 13.258 -28.298 1.00 0.00 C ATOM 0 H VAL B 53 -3.968 15.466 -29.182 1.00 0.00 H new ATOM 0 HA VAL B 53 -2.382 15.405 -26.822 1.00 0.00 H new ATOM 0 HB VAL B 53 -1.812 14.265 -29.598 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -0.534 12.579 -28.346 1.00 0.00 H new ATOM 0 HG12 VAL B 53 0.114 14.212 -28.061 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -0.894 13.426 -26.823 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -3.009 12.280 -28.741 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -3.365 13.145 -27.227 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -4.075 13.704 -28.760 1.00 0.00 H new ATOM 2361 N ASP B 54 -1.089 17.016 -29.372 1.00 0.00 N ATOM 2362 CA ASP B 54 0.018 17.948 -29.720 1.00 0.00 C ATOM 2363 C ASP B 54 -0.007 19.156 -28.788 1.00 0.00 C ATOM 2364 O ASP B 54 1.014 19.646 -28.359 1.00 0.00 O ATOM 2365 CB ASP B 54 -0.134 18.413 -31.168 1.00 0.00 C ATOM 2366 CG ASP B 54 0.159 17.248 -32.114 1.00 0.00 C ATOM 2367 OD1 ASP B 54 0.786 16.298 -31.675 1.00 0.00 O ATOM 2368 OD2 ASP B 54 -0.253 17.322 -33.260 1.00 0.00 O ATOM 0 H ASP B 54 -1.778 16.867 -30.109 1.00 0.00 H new ATOM 0 HA ASP B 54 0.969 17.428 -29.606 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -1.144 18.786 -31.337 1.00 0.00 H new ATOM 0 HB3 ASP B 54 0.549 19.239 -31.369 1.00 0.00 H new ATOM 2373 N LYS B 55 -1.170 19.640 -28.485 1.00 0.00 N ATOM 2374 CA LYS B 55 -1.282 20.825 -27.582 1.00 0.00 C ATOM 2375 C LYS B 55 -0.783 20.428 -26.198 1.00 0.00 C ATOM 2376 O LYS B 55 -0.087 21.170 -25.531 1.00 0.00 O ATOM 2377 CB LYS B 55 -2.744 21.277 -27.497 1.00 0.00 C ATOM 2378 CG LYS B 55 -2.841 22.588 -26.706 1.00 0.00 C ATOM 2379 CD LYS B 55 -4.306 23.031 -26.627 1.00 0.00 C ATOM 2380 CE LYS B 55 -4.404 24.372 -25.896 1.00 0.00 C ATOM 2381 NZ LYS B 55 -3.805 24.248 -24.538 1.00 0.00 N ATOM 0 H LYS B 55 -2.058 19.269 -28.822 1.00 0.00 H new ATOM 0 HA LYS B 55 -0.684 21.648 -27.972 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -3.149 21.416 -28.499 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -3.345 20.506 -27.014 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.437 22.450 -25.703 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -2.242 23.361 -27.188 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -4.722 23.122 -27.630 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.895 22.278 -26.104 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.886 25.145 -26.463 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -5.447 24.679 -25.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.022 25.101 -23.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -4.201 23.414 -24.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.774 24.142 -24.622 1.00 0.00 H new ATOM 2395 N VAL B 56 -1.117 19.243 -25.778 1.00 0.00 N ATOM 2396 CA VAL B 56 -0.653 18.764 -24.452 1.00 0.00 C ATOM 2397 C VAL B 56 0.862 18.645 -24.514 1.00 0.00 C ATOM 2398 O VAL B 56 1.559 18.836 -23.537 1.00 0.00 O ATOM 2399 CB VAL B 56 -1.290 17.398 -24.139 1.00 0.00 C ATOM 2400 CG1 VAL B 56 -0.519 16.692 -23.015 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -2.742 17.606 -23.694 1.00 0.00 C ATOM 0 H VAL B 56 -1.694 18.583 -26.299 1.00 0.00 H new ATOM 0 HA VAL B 56 -0.944 19.458 -23.663 1.00 0.00 H new ATOM 0 HB VAL B 56 -1.256 16.781 -25.037 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.982 15.728 -22.806 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.515 16.538 -23.324 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.541 17.308 -22.116 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -3.196 16.640 -23.472 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -2.763 18.231 -22.801 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -3.301 18.094 -24.492 1.00 0.00 H new ATOM 2411 N MET B 57 1.371 18.327 -25.667 1.00 0.00 N ATOM 2412 CA MET B 57 2.842 18.192 -25.813 1.00 0.00 C ATOM 2413 C MET B 57 3.497 19.558 -25.709 1.00 0.00 C ATOM 2414 O MET B 57 4.572 19.686 -25.202 1.00 0.00 O ATOM 2415 CB MET B 57 3.188 17.536 -27.146 1.00 0.00 C ATOM 2416 CG MET B 57 2.788 16.061 -27.094 1.00 0.00 C ATOM 2417 SD MET B 57 3.895 15.164 -25.972 1.00 0.00 S ATOM 2418 CE MET B 57 5.299 14.953 -27.098 1.00 0.00 C ATOM 0 H MET B 57 0.832 18.155 -26.515 1.00 0.00 H new ATOM 0 HA MET B 57 3.219 17.557 -25.012 1.00 0.00 H new ATOM 0 HB2 MET B 57 2.666 18.039 -27.960 1.00 0.00 H new ATOM 0 HB3 MET B 57 4.255 17.630 -27.346 1.00 0.00 H new ATOM 0 HG2 MET B 57 1.756 15.966 -26.755 1.00 0.00 H new ATOM 0 HG3 MET B 57 2.837 15.626 -28.092 1.00 0.00 H new ATOM 0 HE1 MET B 57 5.464 13.891 -27.278 1.00 0.00 H new ATOM 0 HE2 MET B 57 5.086 15.453 -28.043 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.193 15.388 -26.651 1.00 0.00 H new ATOM 2428 N GLU B 58 2.865 20.593 -26.155 1.00 0.00 N ATOM 2429 CA GLU B 58 3.513 21.922 -26.029 1.00 0.00 C ATOM 2430 C GLU B 58 3.803 22.143 -24.546 1.00 0.00 C ATOM 2431 O GLU B 58 4.832 22.665 -24.167 1.00 0.00 O ATOM 2432 CB GLU B 58 2.572 23.008 -26.555 1.00 0.00 C ATOM 2433 CG GLU B 58 3.241 24.378 -26.428 1.00 0.00 C ATOM 2434 CD GLU B 58 2.311 25.450 -26.995 1.00 0.00 C ATOM 2435 OE1 GLU B 58 1.293 25.084 -27.559 1.00 0.00 O ATOM 2436 OE2 GLU B 58 2.635 26.618 -26.862 1.00 0.00 O ATOM 0 H GLU B 58 1.945 20.584 -26.594 1.00 0.00 H new ATOM 0 HA GLU B 58 4.435 21.966 -26.609 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.321 22.811 -27.597 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.638 22.996 -25.994 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.465 24.591 -25.383 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.190 24.383 -26.964 1.00 0.00 H new ATOM 2443 N THR B 59 2.894 21.731 -23.710 1.00 0.00 N ATOM 2444 CA THR B 59 3.086 21.885 -22.243 1.00 0.00 C ATOM 2445 C THR B 59 4.119 20.870 -21.716 1.00 0.00 C ATOM 2446 O THR B 59 4.987 21.208 -20.936 1.00 0.00 O ATOM 2447 CB THR B 59 1.739 21.642 -21.556 1.00 0.00 C ATOM 2448 OG1 THR B 59 0.785 22.567 -22.056 1.00 0.00 O ATOM 2449 CG2 THR B 59 1.871 21.823 -20.046 1.00 0.00 C ATOM 0 H THR B 59 2.016 21.289 -23.984 1.00 0.00 H new ATOM 0 HA THR B 59 3.455 22.888 -22.030 1.00 0.00 H new ATOM 0 HB THR B 59 1.416 20.622 -21.763 1.00 0.00 H new ATOM 0 HG1 THR B 59 -0.079 22.414 -21.620 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.905 21.647 -19.573 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.601 21.113 -19.657 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.202 22.839 -19.829 1.00 0.00 H new ATOM 2457 N LEU B 60 4.012 19.623 -22.110 1.00 0.00 N ATOM 2458 CA LEU B 60 4.966 18.582 -21.602 1.00 0.00 C ATOM 2459 C LEU B 60 6.195 18.474 -22.499 1.00 0.00 C ATOM 2460 O LEU B 60 7.184 17.875 -22.129 1.00 0.00 O ATOM 2461 CB LEU B 60 4.266 17.224 -21.561 1.00 0.00 C ATOM 2462 CG LEU B 60 2.924 17.350 -20.838 1.00 0.00 C ATOM 2463 CD1 LEU B 60 2.242 15.981 -20.807 1.00 0.00 C ATOM 2464 CD2 LEU B 60 3.148 17.846 -19.403 1.00 0.00 C ATOM 0 H LEU B 60 3.306 19.280 -22.761 1.00 0.00 H new ATOM 0 HA LEU B 60 5.286 18.877 -20.603 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.109 16.855 -22.575 1.00 0.00 H new ATOM 0 HB3 LEU B 60 4.896 16.496 -21.051 1.00 0.00 H new ATOM 0 HG LEU B 60 2.293 18.065 -21.366 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.284 16.063 -20.293 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.078 15.633 -21.827 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.877 15.270 -20.279 1.00 0.00 H new ATOM 0 HD21 LEU B 60 2.188 17.933 -18.894 1.00 0.00 H new ATOM 0 HD22 LEU B 60 3.779 17.137 -18.867 1.00 0.00 H new ATOM 0 HD23 LEU B 60 3.636 18.820 -19.427 1.00 0.00 H new ATOM 2476 N ASP B 61 6.164 19.048 -23.663 1.00 0.00 N ATOM 2477 CA ASP B 61 7.363 18.966 -24.543 1.00 0.00 C ATOM 2478 C ASP B 61 8.339 20.007 -24.038 1.00 0.00 C ATOM 2479 O ASP B 61 8.734 20.918 -24.740 1.00 0.00 O ATOM 2480 CB ASP B 61 7.001 19.256 -26.002 1.00 0.00 C ATOM 2481 CG ASP B 61 8.241 19.083 -26.874 1.00 0.00 C ATOM 2482 OD1 ASP B 61 9.279 18.743 -26.331 1.00 0.00 O ATOM 2483 OD2 ASP B 61 8.130 19.287 -28.071 1.00 0.00 O ATOM 0 H ASP B 61 5.372 19.566 -24.044 1.00 0.00 H new ATOM 0 HA ASP B 61 7.790 17.963 -24.512 1.00 0.00 H new ATOM 0 HB2 ASP B 61 6.212 18.581 -26.334 1.00 0.00 H new ATOM 0 HB3 ASP B 61 6.614 20.270 -26.098 1.00 0.00 H new ATOM 2488 N GLU B 62 8.709 19.876 -22.803 1.00 0.00 N ATOM 2489 CA GLU B 62 9.639 20.847 -22.190 1.00 0.00 C ATOM 2490 C GLU B 62 10.941 20.833 -22.984 1.00 0.00 C ATOM 2491 O GLU B 62 11.612 21.837 -23.120 1.00 0.00 O ATOM 2492 CB GLU B 62 9.904 20.422 -20.751 1.00 0.00 C ATOM 2493 CG GLU B 62 8.566 20.156 -20.050 1.00 0.00 C ATOM 2494 CD GLU B 62 8.804 19.927 -18.555 1.00 0.00 C ATOM 2495 OE1 GLU B 62 9.956 19.807 -18.170 1.00 0.00 O ATOM 2496 OE2 GLU B 62 7.831 19.878 -17.822 1.00 0.00 O ATOM 0 H GLU B 62 8.401 19.126 -22.184 1.00 0.00 H new ATOM 0 HA GLU B 62 9.216 21.851 -22.200 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.523 19.525 -20.732 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.456 21.201 -20.225 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.894 21.001 -20.196 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.081 19.284 -20.489 1.00 0.00 H new ATOM 2503 N ASP B 63 11.291 19.702 -23.529 1.00 0.00 N ATOM 2504 CA ASP B 63 12.536 19.625 -24.336 1.00 0.00 C ATOM 2505 C ASP B 63 12.249 20.231 -25.708 1.00 0.00 C ATOM 2506 O ASP B 63 13.142 20.474 -26.496 1.00 0.00 O ATOM 2507 CB ASP B 63 12.947 18.161 -24.507 1.00 0.00 C ATOM 2508 CG ASP B 63 13.252 17.549 -23.140 1.00 0.00 C ATOM 2509 OD1 ASP B 63 13.822 18.244 -22.315 1.00 0.00 O ATOM 2510 OD2 ASP B 63 12.907 16.396 -22.940 1.00 0.00 O ATOM 0 H ASP B 63 10.768 18.830 -23.450 1.00 0.00 H new ATOM 0 HA ASP B 63 13.342 20.166 -23.839 1.00 0.00 H new ATOM 0 HB2 ASP B 63 12.148 17.604 -24.996 1.00 0.00 H new ATOM 0 HB3 ASP B 63 13.824 18.092 -25.151 1.00 0.00 H new ATOM 2515 N GLY B 64 10.999 20.485 -25.991 1.00 0.00 N ATOM 2516 CA GLY B 64 10.635 21.087 -27.309 1.00 0.00 C ATOM 2517 C GLY B 64 11.050 20.146 -28.444 1.00 0.00 C ATOM 2518 O GLY B 64 11.366 20.587 -29.532 1.00 0.00 O ATOM 0 H GLY B 64 10.213 20.302 -25.367 1.00 0.00 H new ATOM 0 HA2 GLY B 64 9.561 21.270 -27.351 1.00 0.00 H new ATOM 0 HA3 GLY B 64 11.128 22.052 -27.426 1.00 0.00 H new ATOM 2522 N ASP B 65 11.059 18.854 -28.203 1.00 0.00 N ATOM 2523 CA ASP B 65 11.463 17.880 -29.270 1.00 0.00 C ATOM 2524 C ASP B 65 10.241 17.108 -29.773 1.00 0.00 C ATOM 2525 O ASP B 65 10.365 16.146 -30.504 1.00 0.00 O ATOM 2526 CB ASP B 65 12.494 16.905 -28.693 1.00 0.00 C ATOM 2527 CG ASP B 65 11.882 16.155 -27.511 1.00 0.00 C ATOM 2528 OD1 ASP B 65 10.808 16.543 -27.085 1.00 0.00 O ATOM 2529 OD2 ASP B 65 12.499 15.209 -27.051 1.00 0.00 O ATOM 0 H ASP B 65 10.803 18.431 -27.311 1.00 0.00 H new ATOM 0 HA ASP B 65 11.899 18.423 -30.109 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.811 16.199 -29.460 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.383 17.448 -28.372 1.00 0.00 H new ATOM 2534 N GLY B 66 9.065 17.508 -29.381 1.00 0.00 N ATOM 2535 CA GLY B 66 7.846 16.781 -29.834 1.00 0.00 C ATOM 2536 C GLY B 66 7.760 15.464 -29.069 1.00 0.00 C ATOM 2537 O GLY B 66 6.965 14.597 -29.369 1.00 0.00 O ATOM 0 H GLY B 66 8.894 18.305 -28.768 1.00 0.00 H new ATOM 0 HA2 GLY B 66 6.956 17.384 -29.653 1.00 0.00 H new ATOM 0 HA3 GLY B 66 7.892 16.594 -30.907 1.00 0.00 H new ATOM 2541 N GLU B 67 8.592 15.323 -28.077 1.00 0.00 N ATOM 2542 CA GLU B 67 8.615 14.085 -27.251 1.00 0.00 C ATOM 2543 C GLU B 67 8.807 14.496 -25.787 1.00 0.00 C ATOM 2544 O GLU B 67 9.645 15.317 -25.476 1.00 0.00 O ATOM 2545 CB GLU B 67 9.802 13.221 -27.692 1.00 0.00 C ATOM 2546 CG GLU B 67 9.769 13.034 -29.211 1.00 0.00 C ATOM 2547 CD GLU B 67 10.955 12.172 -29.646 1.00 0.00 C ATOM 2548 OE1 GLU B 67 11.824 11.942 -28.824 1.00 0.00 O ATOM 2549 OE2 GLU B 67 10.980 11.767 -30.798 1.00 0.00 O ATOM 0 H GLU B 67 9.272 16.030 -27.798 1.00 0.00 H new ATOM 0 HA GLU B 67 7.689 13.523 -27.369 1.00 0.00 H new ATOM 0 HB2 GLU B 67 10.738 13.693 -27.394 1.00 0.00 H new ATOM 0 HB3 GLU B 67 9.762 12.251 -27.196 1.00 0.00 H new ATOM 0 HG2 GLU B 67 8.833 12.561 -29.509 1.00 0.00 H new ATOM 0 HG3 GLU B 67 9.809 14.003 -29.708 1.00 0.00 H new ATOM 2556 N CYS B 68 8.052 13.933 -24.884 1.00 0.00 N ATOM 2557 CA CYS B 68 8.207 14.296 -23.436 1.00 0.00 C ATOM 2558 C CYS B 68 9.060 13.231 -22.752 1.00 0.00 C ATOM 2559 O CYS B 68 8.820 12.050 -22.878 1.00 0.00 O ATOM 2560 CB CYS B 68 6.823 14.401 -22.780 1.00 0.00 C ATOM 2561 SG CYS B 68 6.185 12.751 -22.394 1.00 0.00 S ATOM 0 H CYS B 68 7.333 13.237 -25.081 1.00 0.00 H new ATOM 0 HA CYS B 68 8.702 15.262 -23.337 1.00 0.00 H new ATOM 0 HB2 CYS B 68 6.889 14.995 -21.869 1.00 0.00 H new ATOM 0 HB3 CYS B 68 6.134 14.918 -23.448 1.00 0.00 H new ATOM 0 HG CYS B 68 7.179 11.938 -22.191 1.00 0.00 H new ATOM 2567 N ASP B 69 10.067 13.643 -22.038 1.00 0.00 N ATOM 2568 CA ASP B 69 10.949 12.663 -21.360 1.00 0.00 C ATOM 2569 C ASP B 69 10.185 12.021 -20.212 1.00 0.00 C ATOM 2570 O ASP B 69 9.133 12.485 -19.821 1.00 0.00 O ATOM 2571 CB ASP B 69 12.186 13.387 -20.831 1.00 0.00 C ATOM 2572 CG ASP B 69 13.038 12.419 -20.008 1.00 0.00 C ATOM 2573 OD1 ASP B 69 12.656 12.132 -18.885 1.00 0.00 O ATOM 2574 OD2 ASP B 69 14.061 11.985 -20.512 1.00 0.00 O ATOM 0 H ASP B 69 10.317 14.622 -21.895 1.00 0.00 H new ATOM 0 HA ASP B 69 11.262 11.888 -22.060 1.00 0.00 H new ATOM 0 HB2 ASP B 69 12.770 13.784 -21.662 1.00 0.00 H new ATOM 0 HB3 ASP B 69 11.887 14.236 -20.216 1.00 0.00 H new ATOM 2579 N PHE B 70 10.688 10.951 -19.670 1.00 0.00 N ATOM 2580 CA PHE B 70 9.972 10.296 -18.566 1.00 0.00 C ATOM 2581 C PHE B 70 9.726 11.321 -17.459 1.00 0.00 C ATOM 2582 O PHE B 70 8.679 11.346 -16.865 1.00 0.00 O ATOM 2583 CB PHE B 70 10.819 9.127 -18.044 1.00 0.00 C ATOM 2584 CG PHE B 70 10.296 8.669 -16.701 1.00 0.00 C ATOM 2585 CD1 PHE B 70 8.943 8.356 -16.548 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.162 8.576 -15.608 1.00 0.00 C ATOM 2587 CE1 PHE B 70 8.454 7.950 -15.308 1.00 0.00 C ATOM 2588 CE2 PHE B 70 10.673 8.174 -14.366 1.00 0.00 C ATOM 2589 CZ PHE B 70 9.317 7.860 -14.214 1.00 0.00 C ATOM 0 H PHE B 70 11.563 10.508 -19.949 1.00 0.00 H new ATOM 0 HA PHE B 70 9.012 9.908 -18.908 1.00 0.00 H new ATOM 0 HB2 PHE B 70 10.792 8.301 -18.755 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.861 9.434 -17.952 1.00 0.00 H new ATOM 0 HD1 PHE B 70 8.274 8.429 -17.393 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.209 8.815 -15.725 1.00 0.00 H new ATOM 0 HE1 PHE B 70 7.408 7.705 -15.193 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.341 8.105 -13.520 1.00 0.00 H new ATOM 0 HZ PHE B 70 8.939 7.548 -13.251 1.00 0.00 H new ATOM 2599 N GLN B 71 10.672 12.171 -17.179 1.00 0.00 N ATOM 2600 CA GLN B 71 10.451 13.179 -16.103 1.00 0.00 C ATOM 2601 C GLN B 71 9.342 14.151 -16.520 1.00 0.00 C ATOM 2602 O GLN B 71 8.579 14.620 -15.698 1.00 0.00 O ATOM 2603 CB GLN B 71 11.747 13.951 -15.825 1.00 0.00 C ATOM 2604 CG GLN B 71 12.094 14.852 -17.011 1.00 0.00 C ATOM 2605 CD GLN B 71 13.488 15.445 -16.805 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.388 14.768 -16.350 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.705 16.695 -17.113 1.00 0.00 N ATOM 0 H GLN B 71 11.580 12.213 -17.642 1.00 0.00 H new ATOM 0 HA GLN B 71 10.149 12.662 -15.192 1.00 0.00 H new ATOM 0 HB2 GLN B 71 11.633 14.553 -14.923 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.562 13.252 -15.640 1.00 0.00 H new ATOM 0 HG2 GLN B 71 12.063 14.280 -17.938 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.357 15.650 -17.104 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.950 17.265 -17.495 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.630 17.102 -16.971 1.00 0.00 H new ATOM 2616 N GLU B 72 9.249 14.471 -17.785 1.00 0.00 N ATOM 2617 CA GLU B 72 8.197 15.424 -18.233 1.00 0.00 C ATOM 2618 C GLU B 72 6.813 14.785 -18.100 1.00 0.00 C ATOM 2619 O GLU B 72 5.852 15.418 -17.701 1.00 0.00 O ATOM 2620 CB GLU B 72 8.451 15.771 -19.699 1.00 0.00 C ATOM 2621 CG GLU B 72 9.724 16.608 -19.820 1.00 0.00 C ATOM 2622 CD GLU B 72 10.064 16.800 -21.300 1.00 0.00 C ATOM 2623 OE1 GLU B 72 9.526 17.716 -21.897 1.00 0.00 O ATOM 2624 OE2 GLU B 72 10.857 16.026 -21.810 1.00 0.00 O ATOM 0 H GLU B 72 9.855 14.113 -18.523 1.00 0.00 H new ATOM 0 HA GLU B 72 8.231 16.321 -17.615 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.548 14.858 -20.287 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.602 16.322 -20.104 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.584 17.576 -19.339 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.549 16.113 -19.307 1.00 0.00 H new ATOM 2631 N PHE B 73 6.710 13.533 -18.432 1.00 0.00 N ATOM 2632 CA PHE B 73 5.400 12.834 -18.335 1.00 0.00 C ATOM 2633 C PHE B 73 4.986 12.719 -16.872 1.00 0.00 C ATOM 2634 O PHE B 73 3.822 12.788 -16.531 1.00 0.00 O ATOM 2635 CB PHE B 73 5.520 11.438 -18.948 1.00 0.00 C ATOM 2636 CG PHE B 73 4.206 10.714 -18.798 1.00 0.00 C ATOM 2637 CD1 PHE B 73 3.228 10.828 -19.792 1.00 0.00 C ATOM 2638 CD2 PHE B 73 3.967 9.924 -17.667 1.00 0.00 C ATOM 2639 CE1 PHE B 73 2.011 10.154 -19.655 1.00 0.00 C ATOM 2640 CE2 PHE B 73 2.748 9.249 -17.530 1.00 0.00 C ATOM 2641 CZ PHE B 73 1.770 9.364 -18.524 1.00 0.00 C ATOM 0 H PHE B 73 7.482 12.958 -18.769 1.00 0.00 H new ATOM 0 HA PHE B 73 4.645 13.403 -18.877 1.00 0.00 H new ATOM 0 HB2 PHE B 73 5.789 11.513 -20.002 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.315 10.879 -18.455 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.413 11.437 -20.665 1.00 0.00 H new ATOM 0 HD2 PHE B 73 4.723 9.835 -16.901 1.00 0.00 H new ATOM 0 HE1 PHE B 73 1.256 10.243 -20.422 1.00 0.00 H new ATOM 0 HE2 PHE B 73 2.563 8.640 -16.658 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.829 8.844 -18.419 1.00 0.00 H new ATOM 2651 N MET B 74 5.938 12.525 -16.011 1.00 0.00 N ATOM 2652 CA MET B 74 5.629 12.384 -14.566 1.00 0.00 C ATOM 2653 C MET B 74 4.939 13.642 -14.042 1.00 0.00 C ATOM 2654 O MET B 74 4.043 13.578 -13.218 1.00 0.00 O ATOM 2655 CB MET B 74 6.919 12.131 -13.786 1.00 0.00 C ATOM 2656 CG MET B 74 7.415 10.710 -14.077 1.00 0.00 C ATOM 2657 SD MET B 74 6.280 9.500 -13.346 1.00 0.00 S ATOM 2658 CE MET B 74 6.580 9.910 -11.613 1.00 0.00 C ATOM 0 H MET B 74 6.928 12.457 -16.248 1.00 0.00 H new ATOM 0 HA MET B 74 4.955 11.538 -14.431 1.00 0.00 H new ATOM 0 HB2 MET B 74 7.679 12.859 -14.070 1.00 0.00 H new ATOM 0 HB3 MET B 74 6.742 12.255 -12.718 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.484 10.553 -15.153 1.00 0.00 H new ATOM 0 HG3 MET B 74 8.417 10.574 -13.670 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.387 9.034 -10.993 1.00 0.00 H new ATOM 0 HE2 MET B 74 7.617 10.222 -11.487 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.918 10.721 -11.311 1.00 0.00 H new ATOM 2668 N ALA B 75 5.359 14.793 -14.473 1.00 0.00 N ATOM 2669 CA ALA B 75 4.717 16.029 -13.948 1.00 0.00 C ATOM 2670 C ALA B 75 3.262 16.115 -14.418 1.00 0.00 C ATOM 2671 O ALA B 75 2.405 16.625 -13.726 1.00 0.00 O ATOM 2672 CB ALA B 75 5.505 17.263 -14.406 1.00 0.00 C ATOM 0 H ALA B 75 6.105 14.934 -15.154 1.00 0.00 H new ATOM 0 HA ALA B 75 4.723 15.995 -12.859 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.029 18.163 -14.018 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.527 17.202 -14.031 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.520 17.301 -15.495 1.00 0.00 H new ATOM 2678 N PHE B 76 2.978 15.619 -15.580 1.00 0.00 N ATOM 2679 CA PHE B 76 1.578 15.664 -16.102 1.00 0.00 C ATOM 2680 C PHE B 76 0.643 14.911 -15.163 1.00 0.00 C ATOM 2681 O PHE B 76 -0.487 15.281 -14.954 1.00 0.00 O ATOM 2682 CB PHE B 76 1.550 14.994 -17.473 1.00 0.00 C ATOM 2683 CG PHE B 76 0.147 15.023 -18.029 1.00 0.00 C ATOM 2684 CD1 PHE B 76 -0.444 16.249 -18.344 1.00 0.00 C ATOM 2685 CD2 PHE B 76 -0.559 13.830 -18.236 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -1.737 16.289 -18.866 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -1.855 13.869 -18.761 1.00 0.00 C ATOM 2688 CZ PHE B 76 -2.445 15.100 -19.077 1.00 0.00 C ATOM 0 H PHE B 76 3.656 15.179 -16.202 1.00 0.00 H new ATOM 0 HA PHE B 76 1.250 16.701 -16.174 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.231 15.507 -18.152 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.897 13.964 -17.392 1.00 0.00 H new ATOM 0 HD1 PHE B 76 0.101 17.167 -18.183 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -0.103 12.882 -17.991 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -2.192 17.238 -19.108 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -2.400 12.951 -18.923 1.00 0.00 H new ATOM 0 HZ PHE B 76 -3.445 15.131 -19.483 1.00 0.00 H new ATOM 2698 N VAL B 77 1.107 13.840 -14.633 1.00 0.00 N ATOM 2699 CA VAL B 77 0.272 13.009 -13.725 1.00 0.00 C ATOM 2700 C VAL B 77 -0.083 13.795 -12.468 1.00 0.00 C ATOM 2701 O VAL B 77 -1.150 13.647 -11.917 1.00 0.00 O ATOM 2702 CB VAL B 77 1.052 11.743 -13.327 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.079 10.591 -13.087 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.022 11.376 -14.449 1.00 0.00 C ATOM 0 H VAL B 77 2.051 13.486 -14.787 1.00 0.00 H new ATOM 0 HA VAL B 77 -0.646 12.732 -14.244 1.00 0.00 H new ATOM 0 HB VAL B 77 1.610 11.932 -12.410 1.00 0.00 H new ATOM 0 HG11 VAL B 77 0.636 9.697 -12.806 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.609 10.857 -12.285 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -0.485 10.395 -13.999 1.00 0.00 H new ATOM 0 HG21 VAL B 77 2.577 10.480 -14.172 1.00 0.00 H new ATOM 0 HG22 VAL B 77 1.463 11.188 -15.366 1.00 0.00 H new ATOM 0 HG23 VAL B 77 2.719 12.198 -14.611 1.00 0.00 H new ATOM 2714 N SER B 78 0.819 14.593 -11.988 1.00 0.00 N ATOM 2715 CA SER B 78 0.532 15.348 -10.739 1.00 0.00 C ATOM 2716 C SER B 78 -0.594 16.354 -10.956 1.00 0.00 C ATOM 2717 O SER B 78 -1.428 16.553 -10.095 1.00 0.00 O ATOM 2718 CB SER B 78 1.784 16.098 -10.294 1.00 0.00 C ATOM 2719 OG SER B 78 2.310 16.833 -11.389 1.00 0.00 O ATOM 0 H SER B 78 1.738 14.757 -12.400 1.00 0.00 H new ATOM 0 HA SER B 78 0.227 14.635 -9.974 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.544 16.772 -9.472 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.529 15.395 -9.923 1.00 0.00 H new ATOM 0 HG SER B 78 1.797 16.627 -12.198 1.00 0.00 H new ATOM 2725 N MET B 79 -0.621 17.016 -12.079 1.00 0.00 N ATOM 2726 CA MET B 79 -1.695 18.032 -12.295 1.00 0.00 C ATOM 2727 C MET B 79 -3.038 17.365 -12.607 1.00 0.00 C ATOM 2728 O MET B 79 -4.073 17.802 -12.139 1.00 0.00 O ATOM 2729 CB MET B 79 -1.294 18.990 -13.421 1.00 0.00 C ATOM 2730 CG MET B 79 -0.884 18.198 -14.660 1.00 0.00 C ATOM 2731 SD MET B 79 -0.225 19.324 -15.912 1.00 0.00 S ATOM 2732 CE MET B 79 -1.737 20.278 -16.186 1.00 0.00 C ATOM 0 H MET B 79 0.041 16.903 -12.847 1.00 0.00 H new ATOM 0 HA MET B 79 -1.815 18.601 -11.373 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.127 19.651 -13.661 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.469 19.623 -13.094 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.133 17.453 -14.396 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.743 17.658 -15.059 1.00 0.00 H new ATOM 0 HE1 MET B 79 -1.784 20.594 -17.228 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.604 19.660 -15.955 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.735 21.156 -15.540 1.00 0.00 H new ATOM 2742 N VAL B 80 -3.051 16.321 -13.385 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.358 15.667 -13.696 1.00 0.00 C ATOM 2744 C VAL B 80 -4.944 15.069 -12.420 1.00 0.00 C ATOM 2745 O VAL B 80 -6.137 15.090 -12.201 1.00 0.00 O ATOM 2746 CB VAL B 80 -4.192 14.548 -14.724 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -5.572 13.995 -15.088 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -3.519 15.081 -15.984 1.00 0.00 C ATOM 0 H VAL B 80 -2.230 15.895 -13.815 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.022 16.427 -14.108 1.00 0.00 H new ATOM 0 HB VAL B 80 -3.571 13.761 -14.296 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -5.462 13.196 -15.821 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.054 13.602 -14.193 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.184 14.792 -15.510 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -3.408 14.273 -16.707 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.131 15.873 -16.416 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.536 15.479 -15.731 1.00 0.00 H new ATOM 2758 N THR B 81 -4.115 14.525 -11.581 1.00 0.00 N ATOM 2759 CA THR B 81 -4.627 13.914 -10.325 1.00 0.00 C ATOM 2760 C THR B 81 -5.339 14.978 -9.513 1.00 0.00 C ATOM 2761 O THR B 81 -6.370 14.741 -8.916 1.00 0.00 O ATOM 2762 CB THR B 81 -3.469 13.361 -9.503 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.781 12.371 -10.250 1.00 0.00 O ATOM 2764 CG2 THR B 81 -4.010 12.764 -8.199 1.00 0.00 C ATOM 0 H THR B 81 -3.104 14.476 -11.709 1.00 0.00 H new ATOM 0 HA THR B 81 -5.312 13.104 -10.574 1.00 0.00 H new ATOM 0 HB THR B 81 -2.773 14.165 -9.264 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.992 12.770 -10.674 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.183 12.368 -7.610 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.523 13.539 -7.629 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.709 11.960 -8.429 1.00 0.00 H new ATOM 2772 N THR B 82 -4.794 16.153 -9.486 1.00 0.00 N ATOM 2773 CA THR B 82 -5.429 17.243 -8.714 1.00 0.00 C ATOM 2774 C THR B 82 -6.880 17.371 -9.186 1.00 0.00 C ATOM 2775 O THR B 82 -7.781 17.602 -8.404 1.00 0.00 O ATOM 2776 CB THR B 82 -4.660 18.548 -8.960 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.267 18.270 -8.983 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.947 19.546 -7.837 1.00 0.00 C ATOM 0 H THR B 82 -3.932 16.407 -9.968 1.00 0.00 H new ATOM 0 HA THR B 82 -5.410 17.030 -7.645 1.00 0.00 H new ATOM 0 HB THR B 82 -4.976 18.975 -9.912 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.770 19.100 -9.142 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.397 20.469 -8.021 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.015 19.761 -7.805 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.634 19.121 -6.883 1.00 0.00 H new ATOM 2786 N ALA B 83 -7.118 17.181 -10.457 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.516 17.245 -10.967 1.00 0.00 C ATOM 2788 C ALA B 83 -9.332 16.151 -10.273 1.00 0.00 C ATOM 2789 O ALA B 83 -10.473 16.345 -9.907 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.537 17.018 -12.482 1.00 0.00 C ATOM 0 H ALA B 83 -6.406 16.985 -11.161 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.941 18.227 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.564 17.067 -12.843 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.942 17.788 -12.974 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -8.119 16.037 -12.709 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.742 14.996 -10.093 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.462 13.871 -9.429 1.00 0.00 C ATOM 2798 C CYS B 84 -9.872 14.292 -8.018 1.00 0.00 C ATOM 2799 O CYS B 84 -10.906 13.891 -7.521 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.541 12.652 -9.342 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.838 12.313 -10.972 1.00 0.00 S ATOM 0 H CYS B 84 -7.786 14.785 -10.380 1.00 0.00 H new ATOM 0 HA CYS B 84 -10.349 13.618 -10.010 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.744 12.835 -8.621 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -9.099 11.785 -8.987 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.159 13.346 -11.375 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.081 15.102 -7.365 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.458 15.532 -5.991 1.00 0.00 C ATOM 2809 C HIS B 85 -10.798 16.259 -6.058 1.00 0.00 C ATOM 2810 O HIS B 85 -11.659 16.066 -5.223 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.393 16.480 -5.431 1.00 0.00 C ATOM 2812 CG HIS B 85 -8.852 17.016 -4.101 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.536 18.220 -3.986 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -8.751 16.521 -2.826 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -9.818 18.404 -2.683 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -9.361 17.398 -1.937 1.00 0.00 N ATOM 0 H HIS B 85 -8.202 15.479 -7.719 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.534 14.660 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.446 15.954 -5.316 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.219 17.301 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -9.780 18.850 -4.750 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -8.271 15.592 -2.554 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -10.348 19.259 -2.291 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.998 17.074 -7.054 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.301 17.778 -7.168 1.00 0.00 C ATOM 2827 C GLU B 86 -13.405 16.730 -7.317 1.00 0.00 C ATOM 2828 O GLU B 86 -14.467 16.839 -6.739 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.288 18.686 -8.399 1.00 0.00 C ATOM 2830 CG GLU B 86 -11.341 19.861 -8.157 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.945 20.794 -7.107 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -13.155 20.768 -6.946 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -11.189 21.518 -6.480 1.00 0.00 O ATOM 0 H GLU B 86 -10.321 17.281 -7.788 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.477 18.386 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.969 18.123 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -13.294 19.052 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -10.371 19.496 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -11.172 20.404 -9.087 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.144 15.699 -8.076 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.154 14.619 -8.253 1.00 0.00 C ATOM 2842 C PHE B 87 -14.250 13.827 -6.953 1.00 0.00 C ATOM 2843 O PHE B 87 -15.316 13.438 -6.521 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.739 13.701 -9.407 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.755 12.593 -9.565 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -15.862 12.768 -10.407 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -14.592 11.392 -8.866 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -16.803 11.740 -10.549 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -15.533 10.365 -9.009 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.638 10.539 -9.850 1.00 0.00 C ATOM 0 H PHE B 87 -12.270 15.559 -8.583 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.126 15.050 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.664 14.274 -10.331 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.753 13.279 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.989 13.695 -10.946 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -13.740 11.257 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -17.656 11.874 -11.198 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -15.406 9.438 -8.470 1.00 0.00 H new ATOM 0 HZ PHE B 87 -17.363 9.746 -9.960 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.131 13.593 -6.328 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.129 12.833 -5.051 1.00 0.00 C ATOM 2862 C PHE B 88 -13.664 13.752 -3.941 1.00 0.00 C ATOM 2863 O PHE B 88 -12.993 14.040 -2.970 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.678 12.383 -4.749 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.665 11.000 -4.124 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.346 10.773 -2.923 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.975 9.947 -4.748 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.338 9.498 -2.343 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.969 8.674 -4.167 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.650 8.450 -2.966 1.00 0.00 C ATOM 0 H PHE B 88 -12.213 13.898 -6.650 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.763 11.949 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.095 12.377 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.203 13.097 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.878 11.581 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.450 10.120 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.863 9.323 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.438 7.864 -4.646 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.645 7.467 -2.519 1.00 0.00 H new ATOM 3114 N ARG X 104 22.829 18.353 1.076 1.00 0.00 N ATOM 3115 CA ARG X 104 21.645 17.503 0.771 1.00 0.00 C ATOM 3116 C ARG X 104 20.725 18.209 -0.232 1.00 0.00 C ATOM 3117 O ARG X 104 20.198 17.594 -1.141 1.00 0.00 O ATOM 3118 CB ARG X 104 20.880 17.297 2.082 1.00 0.00 C ATOM 3119 CG ARG X 104 19.625 16.447 1.858 1.00 0.00 C ATOM 3120 CD ARG X 104 18.873 16.340 3.184 1.00 0.00 C ATOM 3121 NE ARG X 104 17.554 15.648 2.980 1.00 0.00 N ATOM 3122 CZ ARG X 104 16.637 16.124 2.178 1.00 0.00 C ATOM 3123 NH1 ARG X 104 16.783 17.293 1.617 1.00 0.00 N ATOM 3124 NH2 ARG X 104 15.545 15.439 1.971 1.00 0.00 N ATOM 0 HA ARG X 104 21.967 16.555 0.341 1.00 0.00 H new ATOM 0 HB2 ARG X 104 21.527 16.811 2.812 1.00 0.00 H new ATOM 0 HB3 ARG X 104 20.599 18.264 2.499 1.00 0.00 H new ATOM 0 HG2 ARG X 104 18.990 16.901 1.097 1.00 0.00 H new ATOM 0 HG3 ARG X 104 19.898 15.456 1.495 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.473 15.788 3.907 1.00 0.00 H new ATOM 0 HD3 ARG X 104 18.710 17.335 3.599 1.00 0.00 H new ATOM 0 HE ARG X 104 17.368 14.780 3.483 1.00 0.00 H new ATOM 0 HH11 ARG X 104 17.619 17.847 1.802 1.00 0.00 H new ATOM 0 HH12 ARG X 104 16.061 17.653 0.993 1.00 0.00 H new ATOM 0 HH21 ARG X 104 15.412 14.540 2.433 1.00 0.00 H new ATOM 0 HH22 ARG X 104 14.825 15.803 1.347 1.00 0.00 H new ATOM 3138 N HIS X 105 20.508 19.484 -0.070 1.00 0.00 N ATOM 3139 CA HIS X 105 19.599 20.198 -1.010 1.00 0.00 C ATOM 3140 C HIS X 105 20.140 20.095 -2.437 1.00 0.00 C ATOM 3141 O HIS X 105 19.395 19.935 -3.377 1.00 0.00 O ATOM 3142 CB HIS X 105 19.459 21.672 -0.602 1.00 0.00 C ATOM 3143 CG HIS X 105 20.719 22.436 -0.913 1.00 0.00 C ATOM 3144 ND1 HIS X 105 21.293 22.816 -2.103 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 21.548 22.931 0.083 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 22.455 23.534 -1.847 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 22.565 23.576 -0.518 1.00 0.00 N flip ATOM 0 H HIS X 105 20.917 20.059 0.666 1.00 0.00 H new ATOM 0 HA HIS X 105 18.615 19.732 -0.969 1.00 0.00 H new ATOM 0 HB2 HIS X 105 18.617 22.121 -1.129 1.00 0.00 H new ATOM 0 HB3 HIS X 105 19.241 21.740 0.464 1.00 0.00 H new ATOM 0 HD2 HIS X 105 21.404 22.819 1.147 1.00 0.00 H new ATOM 0 HE1 HIS X 105 23.128 23.967 -2.572 1.00 0.00 H new ATOM 0 HE2 HIS X 105 23.325 24.039 -0.020 1.00 0.00 H new ATOM 3156 N LYS X 106 21.427 20.192 -2.604 1.00 0.00 N ATOM 3157 CA LYS X 106 22.017 20.117 -3.971 1.00 0.00 C ATOM 3158 C LYS X 106 21.677 18.770 -4.624 1.00 0.00 C ATOM 3159 O LYS X 106 21.408 18.698 -5.810 1.00 0.00 O ATOM 3160 CB LYS X 106 23.541 20.282 -3.864 1.00 0.00 C ATOM 3161 CG LYS X 106 24.191 20.361 -5.271 1.00 0.00 C ATOM 3162 CD LYS X 106 24.755 18.993 -5.685 1.00 0.00 C ATOM 3163 CE LYS X 106 25.506 19.131 -7.010 1.00 0.00 C ATOM 3164 NZ LYS X 106 26.668 20.045 -6.827 1.00 0.00 N ATOM 0 H LYS X 106 22.101 20.321 -1.849 1.00 0.00 H new ATOM 0 HA LYS X 106 21.603 20.912 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS X 106 23.774 21.185 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS X 106 23.963 19.443 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS X 106 23.452 20.691 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS X 106 24.989 21.103 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS X 106 25.425 18.615 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS X 106 23.946 18.270 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS X 106 25.848 18.154 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS X 106 24.840 19.521 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 27.396 19.828 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 26.356 21.030 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 27.065 19.916 -5.874 1.00 0.00 H new ATOM 3178 N LYS X 107 21.700 17.703 -3.874 1.00 0.00 N ATOM 3179 CA LYS X 107 21.398 16.369 -4.473 1.00 0.00 C ATOM 3180 C LYS X 107 19.983 16.347 -5.071 1.00 0.00 C ATOM 3181 O LYS X 107 19.772 15.784 -6.121 1.00 0.00 O ATOM 3182 CB LYS X 107 21.496 15.293 -3.388 1.00 0.00 C ATOM 3183 CG LYS X 107 22.959 15.108 -2.977 1.00 0.00 C ATOM 3184 CD LYS X 107 23.055 14.105 -1.816 1.00 0.00 C ATOM 3185 CE LYS X 107 22.619 12.704 -2.271 1.00 0.00 C ATOM 3186 NZ LYS X 107 23.141 12.427 -3.640 1.00 0.00 N ATOM 0 H LYS X 107 21.914 17.695 -2.877 1.00 0.00 H new ATOM 0 HA LYS X 107 22.119 16.175 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.898 15.580 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS X 107 21.090 14.351 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS X 107 23.542 14.751 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS X 107 23.385 16.065 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS X 107 24.079 14.070 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS X 107 22.426 14.436 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS X 107 22.990 11.954 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS X 107 21.531 12.633 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 23.130 11.402 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 22.542 12.905 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 24.116 12.781 -3.718 1.00 0.00 H new ATOM 3200 N LEU X 108 19.013 16.944 -4.422 1.00 0.00 N ATOM 3201 CA LEU X 108 17.619 16.936 -4.985 1.00 0.00 C ATOM 3202 C LEU X 108 17.509 17.942 -6.138 1.00 0.00 C ATOM 3203 O LEU X 108 16.697 17.802 -7.040 1.00 0.00 O ATOM 3204 CB LEU X 108 16.613 17.293 -3.885 1.00 0.00 C ATOM 3205 CG LEU X 108 15.179 17.318 -4.448 1.00 0.00 C ATOM 3206 CD1 LEU X 108 14.806 15.938 -5.020 1.00 0.00 C ATOM 3207 CD2 LEU X 108 14.202 17.691 -3.320 1.00 0.00 C ATOM 0 H LEU X 108 19.121 17.434 -3.534 1.00 0.00 H new ATOM 0 HA LEU X 108 17.397 15.939 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU X 108 16.679 16.567 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU X 108 16.860 18.266 -3.461 1.00 0.00 H new ATOM 0 HG LEU X 108 15.120 18.055 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.790 15.970 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU X 108 15.498 15.677 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU X 108 14.865 15.189 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU X 108 13.185 17.711 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU X 108 14.269 16.952 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU X 108 14.459 18.675 -2.927 1.00 0.00 H new ATOM 3219 N MET X 109 18.310 18.959 -6.120 1.00 0.00 N ATOM 3220 CA MET X 109 18.238 19.963 -7.208 1.00 0.00 C ATOM 3221 C MET X 109 18.502 19.265 -8.549 1.00 0.00 C ATOM 3222 O MET X 109 18.092 19.741 -9.587 1.00 0.00 O ATOM 3223 CB MET X 109 19.271 21.092 -6.960 1.00 0.00 C ATOM 3224 CG MET X 109 18.602 22.337 -6.331 1.00 0.00 C ATOM 3225 SD MET X 109 18.369 22.092 -4.548 1.00 0.00 S ATOM 3226 CE MET X 109 16.708 21.362 -4.573 1.00 0.00 C ATOM 0 H MET X 109 19.011 19.141 -5.402 1.00 0.00 H new ATOM 0 HA MET X 109 17.246 20.415 -7.231 1.00 0.00 H new ATOM 0 HB2 MET X 109 20.059 20.728 -6.301 1.00 0.00 H new ATOM 0 HB3 MET X 109 19.745 21.368 -7.902 1.00 0.00 H new ATOM 0 HG2 MET X 109 19.219 23.218 -6.506 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.640 22.522 -6.809 1.00 0.00 H new ATOM 0 HE1 MET X 109 16.117 21.775 -3.756 1.00 0.00 H new ATOM 0 HE2 MET X 109 16.224 21.591 -5.523 1.00 0.00 H new ATOM 0 HE3 MET X 109 16.784 20.281 -4.456 1.00 0.00 H new ATOM 3236 N PHE X 110 19.192 18.153 -8.557 1.00 0.00 N ATOM 3237 CA PHE X 110 19.457 17.493 -9.868 1.00 0.00 C ATOM 3238 C PHE X 110 18.138 17.325 -10.638 1.00 0.00 C ATOM 3239 O PHE X 110 18.124 17.386 -11.851 1.00 0.00 O ATOM 3240 CB PHE X 110 20.201 16.155 -9.681 1.00 0.00 C ATOM 3241 CG PHE X 110 19.282 15.007 -9.286 1.00 0.00 C ATOM 3242 CD1 PHE X 110 18.343 15.156 -8.258 1.00 0.00 C ATOM 3243 CD2 PHE X 110 19.419 13.762 -9.922 1.00 0.00 C ATOM 3244 CE1 PHE X 110 17.549 14.071 -7.870 1.00 0.00 C ATOM 3245 CE2 PHE X 110 18.615 12.683 -9.539 1.00 0.00 C ATOM 3246 CZ PHE X 110 17.681 12.839 -8.511 1.00 0.00 C ATOM 0 H PHE X 110 19.574 17.684 -7.735 1.00 0.00 H new ATOM 0 HA PHE X 110 20.115 18.128 -10.461 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.713 15.899 -10.608 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.968 16.277 -8.916 1.00 0.00 H new ATOM 0 HD1 PHE X 110 18.231 16.110 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE X 110 20.148 13.637 -10.709 1.00 0.00 H new ATOM 0 HE1 PHE X 110 16.831 14.188 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE X 110 18.716 11.730 -10.037 1.00 0.00 H new ATOM 0 HZ PHE X 110 17.062 12.006 -8.213 1.00 0.00 H new ATOM 3256 N LYS X 111 17.018 17.188 -9.964 1.00 0.00 N ATOM 3257 CA LYS X 111 15.728 17.108 -10.722 1.00 0.00 C ATOM 3258 C LYS X 111 15.455 18.486 -11.313 1.00 0.00 C ATOM 3259 O LYS X 111 15.001 18.620 -12.432 1.00 0.00 O ATOM 3260 CB LYS X 111 14.546 16.748 -9.804 1.00 0.00 C ATOM 3261 CG LYS X 111 14.612 15.286 -9.353 1.00 0.00 C ATOM 3262 CD LYS X 111 14.554 14.322 -10.573 1.00 0.00 C ATOM 3263 CE LYS X 111 15.967 13.839 -10.989 1.00 0.00 C ATOM 3264 NZ LYS X 111 16.060 13.822 -12.478 1.00 0.00 N ATOM 0 H LYS X 111 16.941 17.129 -8.949 1.00 0.00 H new ATOM 0 HA LYS X 111 15.820 16.335 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.550 17.400 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.608 16.926 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.532 15.116 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.784 15.073 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS X 111 13.933 13.461 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS X 111 14.080 14.828 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS X 111 16.728 14.499 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS X 111 16.156 12.843 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 16.710 13.067 -12.777 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 15.118 13.648 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 16.417 14.739 -12.814 1.00 0.00 H new ATOM 3278 N THR X 112 15.730 19.516 -10.558 1.00 0.00 N ATOM 3279 CA THR X 112 15.483 20.898 -11.067 1.00 0.00 C ATOM 3280 C THR X 112 16.328 21.147 -12.319 1.00 0.00 C ATOM 3281 O THR X 112 15.891 21.785 -13.256 1.00 0.00 O ATOM 3282 CB THR X 112 15.844 21.931 -9.994 1.00 0.00 C ATOM 3283 OG1 THR X 112 17.247 21.926 -9.779 1.00 0.00 O ATOM 3284 CG2 THR X 112 15.119 21.597 -8.687 1.00 0.00 C ATOM 0 H THR X 112 16.113 19.462 -9.614 1.00 0.00 H new ATOM 0 HA THR X 112 14.426 20.996 -11.315 1.00 0.00 H new ATOM 0 HB THR X 112 15.535 22.921 -10.331 1.00 0.00 H new ATOM 0 HG1 THR X 112 17.585 21.009 -9.846 1.00 0.00 H new ATOM 0 HG21 THR X 112 15.379 22.335 -7.928 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.042 21.613 -8.854 1.00 0.00 H new ATOM 0 HG23 THR X 112 15.419 20.606 -8.348 1.00 0.00 H new ATOM 3292 N GLU X 113 17.539 20.660 -12.335 1.00 0.00 N ATOM 3293 CA GLU X 113 18.419 20.877 -13.519 1.00 0.00 C ATOM 3294 CB GLU X 113 17.851 20.150 -14.744 1.00 0.00 C ATOM 3295 CG GLU X 113 17.717 18.653 -14.451 1.00 0.00 C ATOM 3296 CD GLU X 113 17.150 17.945 -15.682 1.00 0.00 C ATOM 3297 OE1 GLU X 113 16.729 18.635 -16.597 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.150 16.726 -15.692 1.00 0.00 O ATOM 0 H GLU X 113 17.958 20.120 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.878 20.566 -15.005 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.504 20.304 -15.603 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.689 18.233 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.063 18.496 -13.593 1.00 0.00 H new ATOM 3493 N ARG Y 104 -12.780 19.961 -25.424 1.00 0.00 N ATOM 3494 CA ARG Y 104 -12.226 19.057 -24.380 1.00 0.00 C ATOM 3495 C ARG Y 104 -10.867 19.573 -23.893 1.00 0.00 C ATOM 3496 O ARG Y 104 -10.571 19.546 -22.713 1.00 0.00 O ATOM 3497 CB ARG Y 104 -12.033 17.679 -25.023 1.00 0.00 C ATOM 3498 CG ARG Y 104 -11.428 16.685 -24.027 1.00 0.00 C ATOM 3499 CD ARG Y 104 -11.187 15.361 -24.749 1.00 0.00 C ATOM 3500 NE ARG Y 104 -10.461 14.403 -23.845 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -9.280 14.673 -23.354 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -8.623 15.729 -23.744 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -8.731 13.855 -22.498 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.905 19.009 -23.528 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -12.992 17.303 -25.379 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -11.382 17.768 -25.893 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -10.492 17.073 -23.626 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.101 16.539 -23.182 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -12.138 14.929 -25.060 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -10.604 15.532 -25.654 1.00 0.00 H new ATOM 0 HE ARG Y 104 -10.904 13.515 -23.608 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -9.030 16.355 -24.439 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -7.702 15.930 -23.354 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -9.223 13.008 -22.214 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -7.810 14.063 -22.113 1.00 0.00 H new ATOM 3517 N HIS Y 105 -10.028 20.023 -24.784 1.00 0.00 N ATOM 3518 CA HIS Y 105 -8.688 20.510 -24.350 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.850 21.675 -23.373 1.00 0.00 C ATOM 3520 O HIS Y 105 -8.123 21.791 -22.413 1.00 0.00 O ATOM 3521 CB HIS Y 105 -7.859 20.950 -25.566 1.00 0.00 C ATOM 3522 CG HIS Y 105 -8.383 22.246 -26.127 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -8.355 23.530 -25.642 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -9.012 22.321 -27.361 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -8.953 24.386 -26.560 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -9.333 23.610 -27.576 1.00 0.00 N flip ATOM 0 H HIS Y 105 -10.210 20.075 -25.786 1.00 0.00 H new ATOM 0 HA HIS Y 105 -8.163 19.696 -23.849 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -6.815 21.069 -25.277 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -7.891 20.177 -26.333 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -9.208 21.495 -28.028 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -9.083 25.454 -26.469 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -9.808 23.951 -28.412 1.00 0.00 H new ATOM 3535 N LYS Y 106 -9.791 22.539 -23.615 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.989 23.707 -22.710 1.00 0.00 C ATOM 3537 C LYS Y 106 -10.305 23.228 -21.286 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.855 23.808 -20.314 1.00 0.00 O ATOM 3539 CB LYS Y 106 -11.147 24.564 -23.248 1.00 0.00 C ATOM 3540 CG LYS Y 106 -11.299 25.870 -22.423 1.00 0.00 C ATOM 3541 CD LYS Y 106 -12.417 25.725 -21.382 1.00 0.00 C ATOM 3542 CE LYS Y 106 -12.628 27.065 -20.672 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -13.089 28.084 -21.658 1.00 0.00 N ATOM 0 H LYS Y 106 -10.436 22.489 -24.404 1.00 0.00 H new ATOM 0 HA LYS Y 106 -9.076 24.302 -22.678 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -10.968 24.809 -24.295 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -12.075 23.994 -23.209 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -10.358 26.103 -21.924 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -11.521 26.704 -23.089 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -13.341 25.408 -21.866 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -12.156 24.954 -20.657 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -13.364 26.955 -19.876 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -11.699 27.391 -20.204 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -13.623 28.828 -21.165 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -12.265 28.506 -22.132 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -13.701 27.630 -22.366 1.00 0.00 H new ATOM 3557 N LYS Y 107 -11.086 22.192 -21.147 1.00 0.00 N ATOM 3558 CA LYS Y 107 -11.440 21.707 -19.780 1.00 0.00 C ATOM 3559 C LYS Y 107 -10.179 21.306 -18.999 1.00 0.00 C ATOM 3560 O LYS Y 107 -10.078 21.568 -17.821 1.00 0.00 O ATOM 3561 CB LYS Y 107 -12.357 20.488 -19.895 1.00 0.00 C ATOM 3562 CG LYS Y 107 -13.727 20.922 -20.420 1.00 0.00 C ATOM 3563 CD LYS Y 107 -14.623 19.691 -20.629 1.00 0.00 C ATOM 3564 CE LYS Y 107 -14.951 19.022 -19.286 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -15.214 20.061 -18.250 1.00 0.00 N ATOM 0 H LYS Y 107 -11.494 21.661 -21.917 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.945 22.514 -19.249 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.916 19.751 -20.566 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -12.465 20.009 -18.922 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -14.196 21.608 -19.714 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -13.611 21.462 -21.360 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -15.546 19.987 -21.128 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -14.122 18.978 -21.283 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -15.823 18.377 -19.395 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.121 18.387 -18.974 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -15.751 19.640 -17.465 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.310 20.431 -17.892 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -15.765 20.838 -18.669 1.00 0.00 H new ATOM 3579 N LEU Y 108 -9.223 20.671 -19.631 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.979 20.261 -18.891 1.00 0.00 C ATOM 3581 C LEU Y 108 -7.068 21.476 -18.677 1.00 0.00 C ATOM 3582 O LEU Y 108 -6.281 21.537 -17.744 1.00 0.00 O ATOM 3583 CB LEU Y 108 -7.235 19.183 -19.685 1.00 0.00 C ATOM 3584 CG LEU Y 108 -5.940 18.776 -18.960 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -6.261 18.223 -17.560 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.235 17.694 -19.785 1.00 0.00 C ATOM 0 H LEU Y 108 -9.245 20.418 -20.619 1.00 0.00 H new ATOM 0 HA LEU Y 108 -8.261 19.858 -17.918 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -7.876 18.311 -19.814 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -6.999 19.555 -20.682 1.00 0.00 H new ATOM 0 HG LEU Y 108 -5.297 19.649 -18.851 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.335 17.939 -17.060 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.770 18.988 -16.974 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -6.905 17.349 -17.653 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -4.315 17.396 -19.283 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -5.890 16.829 -19.886 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -4.998 18.087 -20.774 1.00 0.00 H new ATOM 3598 N MET Y 109 -7.161 22.445 -19.530 1.00 0.00 N ATOM 3599 CA MET Y 109 -6.301 23.641 -19.373 1.00 0.00 C ATOM 3600 C MET Y 109 -6.585 24.284 -18.010 1.00 0.00 C ATOM 3601 O MET Y 109 -5.752 24.979 -17.467 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.575 24.637 -20.528 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.493 24.534 -21.628 1.00 0.00 C ATOM 3604 SD MET Y 109 -5.841 23.125 -22.718 1.00 0.00 S ATOM 3605 CE MET Y 109 -4.891 21.855 -21.838 1.00 0.00 C ATOM 0 H MET Y 109 -7.794 22.463 -20.329 1.00 0.00 H new ATOM 0 HA MET Y 109 -5.250 23.357 -19.415 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.555 24.436 -20.960 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -6.602 25.654 -20.136 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -5.466 25.455 -22.210 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -4.510 24.416 -21.172 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -4.355 21.237 -22.558 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -4.176 22.334 -21.169 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -5.570 21.230 -21.257 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.748 24.079 -17.445 1.00 0.00 N ATOM 3616 CA PHE Y 110 -8.019 24.720 -16.128 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.874 24.401 -15.155 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.548 25.207 -14.307 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.396 24.298 -15.572 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.378 22.934 -14.901 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.780 21.834 -15.525 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -10.026 22.762 -13.665 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.828 20.574 -14.921 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -10.060 21.502 -13.058 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -9.463 20.409 -13.689 1.00 0.00 C ATOM 0 H PHE Y 110 -8.503 23.510 -17.828 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.061 25.801 -16.258 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.735 25.045 -14.854 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -10.121 24.286 -16.386 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.281 21.958 -16.475 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -10.499 23.605 -13.183 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -8.372 19.725 -15.409 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -10.547 21.375 -12.103 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -9.493 19.435 -13.223 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.207 23.276 -15.296 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.042 23.019 -14.390 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.927 23.984 -14.784 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.235 24.532 -13.949 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.499 21.586 -14.548 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.455 20.551 -13.947 1.00 0.00 C ATOM 3641 CD LYS Y 111 -5.661 20.803 -12.426 1.00 0.00 C ATOM 3642 CE LYS Y 111 -6.972 21.578 -12.148 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -6.721 22.596 -11.090 1.00 0.00 N ATOM 0 H LYS Y 111 -6.411 22.546 -15.978 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.368 23.154 -13.359 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.345 21.369 -15.605 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -3.526 21.509 -14.062 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -6.415 20.596 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -5.057 19.548 -14.103 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -5.683 19.849 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.815 21.366 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -7.323 22.062 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -7.755 20.890 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -7.573 22.705 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -5.927 22.288 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.487 23.507 -11.533 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.748 24.187 -16.061 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.674 25.116 -16.526 1.00 0.00 C ATOM 3659 C THR Y 112 -2.920 26.521 -15.971 1.00 0.00 C ATOM 3660 O THR Y 112 -2.000 27.225 -15.608 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.647 25.167 -18.055 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.828 25.794 -18.534 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.549 23.746 -18.614 1.00 0.00 C ATOM 0 H THR Y 112 -4.297 23.752 -16.802 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.714 24.749 -16.163 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.781 25.742 -18.382 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.593 25.510 -17.991 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.530 23.784 -19.703 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.636 23.275 -18.251 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -3.412 23.166 -18.286 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.157 26.936 -15.919 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.470 28.299 -15.404 1.00 0.00 C ATOM 3673 CB GLU Y 113 -4.127 28.391 -13.915 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.924 27.346 -13.132 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.573 27.448 -11.648 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.642 28.167 -11.328 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -5.248 26.812 -10.855 1.00 0.00 O ATOM 0 H GLU Y 113 -4.966 26.388 -16.212 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -3.059 28.231 -13.768 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.354 29.389 -13.541 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.993 27.505 -13.276 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -4.697 26.346 -13.503 1.00 0.00 H new