USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1418 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 71 GLN : amide:sc= -3.49! C(o=-4!,f=-4.8!) USER MOD Set 1.2: B 82 THR OG1 : rot -79:sc= -0.506 USER MOD Set 2.1: A 82 THR OG1 : rot -72:sc= -0.395 USER MOD Set 2.2: B 71 GLN : amide:sc= -3.49! C(o=-3.9!,f=-4.5!) USER MOD Single : A 0 MET CE :methyl 161:sc= -0.0118 (180deg=-0.63) USER MOD Single : A 0 MET N :NH3+ 176:sc= 0.245 (180deg=0.231) USER MOD Single : A 1 SER OG : rot -140:sc= -1.21! USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.297 (180deg=-0.787) USER MOD Single : A 7 MET CE :methyl 134:sc= -0.257 (180deg=-1.02) USER MOD Single : A 15 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.19) USER MOD Single : A 16 GLN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 17 TYR OH : rot 145:sc= -0.765 USER MOD Single : A 18 SER OG : rot 104:sc= 0.521 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.743!) USER MOD Single : A 25 HIS : no HD1:sc= -0.715 K(o=-0.71,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.516) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.239 (180deg=-0.267) USER MOD Single : A 30 SER OG : rot 54:sc= 0.97 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.48! C(o=-2.5!,f=-7.5!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.125 F(o=-1.3,f=-0.12) USER MOD Single : A 41 SER OG : rot 9:sc= 0.803 USER MOD Single : A 42 HIS : no HE2:sc= 0.262 K(o=0.26,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.0741 X(o=0.074,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 148:sc= -0.269 (180deg=-1.89!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -104:sc= -13.1! (180deg=-16.1!) USER MOD Single : A 78 SER OG : rot 170:sc= -0.149 USER MOD Single : A 79 MET CE :methyl -108:sc= -1.41 (180deg=-4.47!) USER MOD Single : A 81 THR OG1 : rot 117:sc= -0.723 USER MOD Single : A 84 CYS SG : rot 80:sc= 0.937 USER MOD Single : A 85 HIS : no HE2:sc= -2.25! X(o=-2.3!,f=-2.6) USER MOD Single : A 90 HIS : no HD1:sc= -1.07! C(o=-1.1!,f=-1.2!) USER MOD Single : B 0 MET CE :methyl 159:sc= -0.0177 (180deg=-0.689) USER MOD Single : B 0 MET N :NH3+ 179:sc= 0.268 (180deg=0.265) USER MOD Single : B 1 SER OG : rot -160:sc= -1.23! USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.305 (180deg=-0.814) USER MOD Single : B 7 MET CE :methyl -100:sc= -0.255 (180deg=-1.04) USER MOD Single : B 15 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.21) USER MOD Single : B 16 GLN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : B 17 TYR OH : rot 148:sc= -0.769 USER MOD Single : B 18 SER OG : rot 103:sc= 0.521 USER MOD Single : B 24 LYS NZ :NH3+ -165:sc= -0.0215 (180deg=-0.707!) USER MOD Single : B 25 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-1.2) USER MOD Single : B 26 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.518) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 177:sc= -0.245 (180deg=-0.271) USER MOD Single : B 30 SER OG : rot 101:sc= 1.12 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7.2!) USER MOD Single : B 38 ASN :FLIP amide:sc= -0.148 F(o=-1.3,f=-0.15) USER MOD Single : B 41 SER OG : rot -63:sc= 0.395 USER MOD Single : B 42 HIS : no HE2:sc= 0.278 K(o=0.28,f=-1.3) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0.0782 X(o=0.078,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 153:sc= -0.453 (180deg=-1.94!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : B 68 CYS SG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl -105:sc= -13! (180deg=-16!) USER MOD Single : B 78 SER OG : rot 170:sc= -0.155 USER MOD Single : B 79 MET CE :methyl -107:sc= -1.51 (180deg=-4.39!) USER MOD Single : B 81 THR OG1 : rot 122:sc= -0.527 USER MOD Single : B 84 CYS SG : rot 81:sc= 0.959 USER MOD Single : B 85 HIS : no HE2:sc= -2.17! K(o=-2.2!,f=-2.8) USER MOD Single : B 90 HIS : no HD1:sc= -1.15! C(o=-1.2!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 8.858 6.134 -13.826 1.00 0.00 N ATOM 2 CA MET A 0 8.350 5.153 -14.826 1.00 0.00 C ATOM 3 C MET A 0 8.685 3.732 -14.368 1.00 0.00 C ATOM 4 O MET A 0 8.996 2.871 -15.166 1.00 0.00 O ATOM 5 CB MET A 0 9.006 5.417 -16.182 1.00 0.00 C ATOM 6 CG MET A 0 8.127 4.845 -17.295 1.00 0.00 C ATOM 7 SD MET A 0 8.469 5.717 -18.844 1.00 0.00 S ATOM 8 CE MET A 0 10.225 5.296 -18.958 1.00 0.00 C ATOM 0 H1 MET A 0 8.690 7.100 -14.171 1.00 0.00 H new ATOM 0 H2 MET A 0 8.361 5.998 -12.923 1.00 0.00 H new ATOM 0 H3 MET A 0 9.878 5.989 -13.685 1.00 0.00 H new ATOM 0 HA MET A 0 7.269 5.260 -14.918 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.145 6.488 -16.328 1.00 0.00 H new ATOM 0 HB3 MET A 0 9.995 4.960 -16.214 1.00 0.00 H new ATOM 0 HG2 MET A 0 8.321 3.779 -17.415 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.075 4.949 -17.031 1.00 0.00 H new ATOM 0 HE1 MET A 0 10.567 5.436 -19.984 1.00 0.00 H new ATOM 0 HE2 MET A 0 10.798 5.943 -18.293 1.00 0.00 H new ATOM 0 HE3 MET A 0 10.369 4.256 -18.666 1.00 0.00 H new ATOM 20 N SER A 1 8.621 3.478 -13.089 1.00 0.00 N ATOM 21 CA SER A 1 8.934 2.109 -12.589 1.00 0.00 C ATOM 22 C SER A 1 7.636 1.401 -12.196 1.00 0.00 C ATOM 23 O SER A 1 6.553 1.895 -12.434 1.00 0.00 O ATOM 24 CB SER A 1 9.851 2.207 -11.369 1.00 0.00 C ATOM 25 OG SER A 1 9.095 2.639 -10.248 1.00 0.00 O ATOM 0 H SER A 1 8.366 4.157 -12.371 1.00 0.00 H new ATOM 0 HA SER A 1 9.435 1.542 -13.374 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.307 1.238 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.664 2.906 -11.566 1.00 0.00 H new ATOM 0 HG SER A 1 9.624 3.275 -9.722 1.00 0.00 H new ATOM 31 N GLU A 2 7.735 0.245 -11.597 1.00 0.00 N ATOM 32 CA GLU A 2 6.506 -0.492 -11.190 1.00 0.00 C ATOM 33 C GLU A 2 5.969 0.086 -9.877 1.00 0.00 C ATOM 34 O GLU A 2 4.783 0.293 -9.715 1.00 0.00 O ATOM 35 CB GLU A 2 6.840 -1.972 -10.994 1.00 0.00 C ATOM 36 CG GLU A 2 7.638 -2.476 -12.199 1.00 0.00 C ATOM 37 CD GLU A 2 6.842 -2.224 -13.480 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.724 -2.704 -13.563 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.364 -1.556 -14.357 1.00 0.00 O ATOM 0 H GLU A 2 8.614 -0.220 -11.372 1.00 0.00 H new ATOM 0 HA GLU A 2 5.749 -0.388 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.417 -2.108 -10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.924 -2.551 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.600 -1.967 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.846 -3.540 -12.091 1.00 0.00 H new ATOM 46 N LEU A 3 6.836 0.345 -8.936 1.00 0.00 N ATOM 47 CA LEU A 3 6.382 0.905 -7.629 1.00 0.00 C ATOM 48 C LEU A 3 5.915 2.346 -7.822 1.00 0.00 C ATOM 49 O LEU A 3 5.013 2.811 -7.160 1.00 0.00 O ATOM 50 CB LEU A 3 7.547 0.889 -6.641 1.00 0.00 C ATOM 51 CG LEU A 3 7.020 0.588 -5.237 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.722 -0.905 -5.112 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.073 0.983 -4.200 1.00 0.00 C ATOM 0 H LEU A 3 7.841 0.193 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 3 5.559 0.302 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.278 0.136 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.059 1.851 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 3 6.107 1.157 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.347 -1.119 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.971 -1.189 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.635 -1.474 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.697 0.768 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.986 0.414 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.287 2.048 -4.286 1.00 0.00 H new ATOM 65 N GLU A 4 6.535 3.056 -8.714 1.00 0.00 N ATOM 66 CA GLU A 4 6.139 4.474 -8.944 1.00 0.00 C ATOM 67 C GLU A 4 4.762 4.536 -9.610 1.00 0.00 C ATOM 68 O GLU A 4 3.821 5.076 -9.066 1.00 0.00 O ATOM 69 CB GLU A 4 7.166 5.140 -9.860 1.00 0.00 C ATOM 70 CG GLU A 4 7.850 6.288 -9.120 1.00 0.00 C ATOM 71 CD GLU A 4 8.990 6.833 -9.982 1.00 0.00 C ATOM 72 OE1 GLU A 4 9.185 6.310 -11.068 1.00 0.00 O ATOM 73 OE2 GLU A 4 9.649 7.760 -9.542 1.00 0.00 O ATOM 0 H GLU A 4 7.301 2.719 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 4 6.098 4.992 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.908 4.409 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.677 5.515 -10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.131 7.078 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.237 5.940 -8.162 1.00 0.00 H new ATOM 80 N LYS A 5 4.643 4.002 -10.794 1.00 0.00 N ATOM 81 CA LYS A 5 3.333 4.045 -11.503 1.00 0.00 C ATOM 82 C LYS A 5 2.260 3.350 -10.651 1.00 0.00 C ATOM 83 O LYS A 5 1.110 3.737 -10.660 1.00 0.00 O ATOM 84 CB LYS A 5 3.500 3.375 -12.890 1.00 0.00 C ATOM 85 CG LYS A 5 2.426 2.307 -13.157 1.00 0.00 C ATOM 86 CD LYS A 5 2.923 0.951 -12.653 1.00 0.00 C ATOM 87 CE LYS A 5 1.929 -0.140 -13.049 1.00 0.00 C ATOM 88 NZ LYS A 5 2.557 -1.474 -12.847 1.00 0.00 N ATOM 0 H LYS A 5 5.396 3.538 -11.301 1.00 0.00 H new ATOM 0 HA LYS A 5 3.008 5.074 -11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.452 4.138 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.487 2.918 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.497 2.576 -12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.208 2.253 -14.224 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.904 0.733 -13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.039 0.975 -11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.023 -0.057 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.634 -0.018 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.818 -2.205 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.209 -1.674 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.084 -1.477 -11.951 1.00 0.00 H new ATOM 102 N ALA A 6 2.620 2.330 -9.924 1.00 0.00 N ATOM 103 CA ALA A 6 1.611 1.619 -9.086 1.00 0.00 C ATOM 104 C ALA A 6 1.375 2.386 -7.780 1.00 0.00 C ATOM 105 O ALA A 6 0.335 2.977 -7.574 1.00 0.00 O ATOM 106 CB ALA A 6 2.118 0.213 -8.764 1.00 0.00 C ATOM 0 H ALA A 6 3.568 1.957 -9.873 1.00 0.00 H new ATOM 0 HA ALA A 6 0.672 1.556 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.382 -0.308 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.274 -0.339 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.060 0.282 -8.219 1.00 0.00 H new ATOM 112 N MET A 7 2.335 2.372 -6.898 1.00 0.00 N ATOM 113 CA MET A 7 2.179 3.087 -5.600 1.00 0.00 C ATOM 114 C MET A 7 1.650 4.496 -5.850 1.00 0.00 C ATOM 115 O MET A 7 0.642 4.909 -5.303 1.00 0.00 O ATOM 116 CB MET A 7 3.544 3.179 -4.912 1.00 0.00 C ATOM 117 CG MET A 7 3.378 3.800 -3.524 1.00 0.00 C ATOM 118 SD MET A 7 2.980 2.504 -2.326 1.00 0.00 S ATOM 119 CE MET A 7 1.217 2.877 -2.171 1.00 0.00 C ATOM 0 H MET A 7 3.227 1.893 -7.021 1.00 0.00 H new ATOM 0 HA MET A 7 1.478 2.543 -4.967 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.987 2.187 -4.827 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.225 3.782 -5.512 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.295 4.312 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.586 4.549 -3.542 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.643 1.952 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.031 3.364 -1.214 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.913 3.540 -2.981 1.00 0.00 H new ATOM 129 N VAL A 8 2.330 5.240 -6.671 1.00 0.00 N ATOM 130 CA VAL A 8 1.878 6.627 -6.959 1.00 0.00 C ATOM 131 C VAL A 8 0.479 6.587 -7.572 1.00 0.00 C ATOM 132 O VAL A 8 -0.338 7.454 -7.331 1.00 0.00 O ATOM 133 CB VAL A 8 2.852 7.294 -7.930 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.590 8.799 -7.951 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.289 7.042 -7.468 1.00 0.00 C ATOM 0 H VAL A 8 3.179 4.949 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 8 1.850 7.201 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 8 2.711 6.879 -8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.282 9.279 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.566 8.986 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.734 9.207 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.983 7.518 -8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.429 7.459 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.480 5.969 -7.443 1.00 0.00 H new ATOM 145 N ALA A 9 0.186 5.581 -8.351 1.00 0.00 N ATOM 146 CA ALA A 9 -1.169 5.487 -8.960 1.00 0.00 C ATOM 147 C ALA A 9 -2.204 5.424 -7.840 1.00 0.00 C ATOM 148 O ALA A 9 -3.294 5.948 -7.955 1.00 0.00 O ATOM 149 CB ALA A 9 -1.262 4.221 -9.813 1.00 0.00 C ATOM 0 H ALA A 9 0.825 4.823 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.354 6.356 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.255 4.154 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.512 4.259 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.085 3.347 -9.187 1.00 0.00 H new ATOM 155 N LEU A 10 -1.866 4.794 -6.748 1.00 0.00 N ATOM 156 CA LEU A 10 -2.824 4.707 -5.615 1.00 0.00 C ATOM 157 C LEU A 10 -3.214 6.122 -5.191 1.00 0.00 C ATOM 158 O LEU A 10 -4.362 6.405 -4.915 1.00 0.00 O ATOM 159 CB LEU A 10 -2.165 3.984 -4.439 1.00 0.00 C ATOM 160 CG LEU A 10 -2.918 2.685 -4.158 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.020 1.733 -3.368 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.174 2.997 -3.342 1.00 0.00 C ATOM 0 H LEU A 10 -0.967 4.337 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.711 4.153 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.121 3.770 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.174 4.621 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.200 2.216 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.559 0.807 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.123 1.514 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.737 2.199 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.715 2.073 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.889 3.465 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.814 3.676 -3.905 1.00 0.00 H new ATOM 174 N ILE A 11 -2.264 7.018 -5.149 1.00 0.00 N ATOM 175 CA ILE A 11 -2.586 8.419 -4.755 1.00 0.00 C ATOM 176 C ILE A 11 -3.629 8.976 -5.728 1.00 0.00 C ATOM 177 O ILE A 11 -4.496 9.744 -5.357 1.00 0.00 O ATOM 178 CB ILE A 11 -1.314 9.272 -4.815 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.449 8.990 -3.585 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.685 10.757 -4.838 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.244 7.482 -3.436 1.00 0.00 C ATOM 0 H ILE A 11 -1.284 6.841 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.981 8.440 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.760 9.022 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.515 9.490 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.927 9.392 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.777 11.358 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.299 10.965 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.243 11.007 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.372 7.283 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.211 6.993 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.253 7.093 -4.325 1.00 0.00 H new ATOM 193 N ASP A 12 -3.549 8.590 -6.972 1.00 0.00 N ATOM 194 CA ASP A 12 -4.527 9.087 -7.978 1.00 0.00 C ATOM 195 C ASP A 12 -5.932 8.626 -7.592 1.00 0.00 C ATOM 196 O ASP A 12 -6.854 9.413 -7.507 1.00 0.00 O ATOM 197 CB ASP A 12 -4.163 8.523 -9.352 1.00 0.00 C ATOM 198 CG ASP A 12 -4.838 9.355 -10.445 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.017 9.630 -10.309 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.161 9.703 -11.399 1.00 0.00 O ATOM 0 H ASP A 12 -2.844 7.948 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.501 10.176 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.081 8.536 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.480 7.483 -9.425 1.00 0.00 H new ATOM 205 N VAL A 13 -6.101 7.356 -7.359 1.00 0.00 N ATOM 206 CA VAL A 13 -7.447 6.839 -6.979 1.00 0.00 C ATOM 207 C VAL A 13 -8.082 7.776 -5.949 1.00 0.00 C ATOM 208 O VAL A 13 -9.275 8.004 -5.957 1.00 0.00 O ATOM 209 CB VAL A 13 -7.304 5.443 -6.374 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.631 5.021 -5.743 1.00 0.00 C ATOM 211 CG2 VAL A 13 -6.928 4.446 -7.473 1.00 0.00 C ATOM 0 H VAL A 13 -5.366 6.651 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.080 6.790 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.525 5.458 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.528 4.025 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.903 5.729 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.409 5.007 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.826 3.450 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.707 4.433 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.982 4.744 -7.926 1.00 0.00 H new ATOM 221 N PHE A 14 -7.296 8.319 -5.061 1.00 0.00 N ATOM 222 CA PHE A 14 -7.859 9.239 -4.032 1.00 0.00 C ATOM 223 C PHE A 14 -8.460 10.469 -4.716 1.00 0.00 C ATOM 224 O PHE A 14 -9.564 10.879 -4.418 1.00 0.00 O ATOM 225 CB PHE A 14 -6.745 9.679 -3.077 1.00 0.00 C ATOM 226 CG PHE A 14 -7.332 10.041 -1.729 1.00 0.00 C ATOM 227 CD1 PHE A 14 -8.708 10.272 -1.593 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.495 10.147 -0.612 1.00 0.00 C ATOM 229 CE1 PHE A 14 -9.243 10.608 -0.344 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.031 10.481 0.636 1.00 0.00 C ATOM 231 CZ PHE A 14 -8.404 10.712 0.771 1.00 0.00 C ATOM 0 H PHE A 14 -6.289 8.166 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.637 8.721 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.016 8.877 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.214 10.535 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.356 10.191 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.434 9.971 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.303 10.787 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.384 10.561 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.816 10.970 1.735 1.00 0.00 H new ATOM 241 N HIS A 15 -7.743 11.061 -5.632 1.00 0.00 N ATOM 242 CA HIS A 15 -8.278 12.263 -6.330 1.00 0.00 C ATOM 243 C HIS A 15 -9.379 11.844 -7.309 1.00 0.00 C ATOM 244 O HIS A 15 -9.985 12.667 -7.965 1.00 0.00 O ATOM 245 CB HIS A 15 -7.146 12.950 -7.099 1.00 0.00 C ATOM 246 CG HIS A 15 -7.141 14.419 -6.772 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.835 15.386 -7.717 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.400 15.100 -5.608 1.00 0.00 C ATOM 249 CE1 HIS A 15 -6.919 16.585 -7.110 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.259 16.467 -5.823 1.00 0.00 N ATOM 0 H HIS A 15 -6.812 10.765 -5.926 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.693 12.953 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.188 12.504 -6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.279 12.805 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.672 14.643 -4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.734 17.528 -7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.387 17.218 -5.144 1.00 0.00 H new ATOM 258 N GLN A 16 -9.644 10.569 -7.415 1.00 0.00 N ATOM 259 CA GLN A 16 -10.705 10.103 -8.352 1.00 0.00 C ATOM 260 C GLN A 16 -12.036 9.991 -7.605 1.00 0.00 C ATOM 261 O GLN A 16 -13.067 10.411 -8.089 1.00 0.00 O ATOM 262 CB GLN A 16 -10.320 8.733 -8.914 1.00 0.00 C ATOM 263 CG GLN A 16 -10.465 8.742 -10.437 1.00 0.00 C ATOM 264 CD GLN A 16 -9.085 8.876 -11.080 1.00 0.00 C ATOM 265 OE1 GLN A 16 -8.785 9.879 -11.698 1.00 0.00 O ATOM 266 NE2 GLN A 16 -8.225 7.902 -10.963 1.00 0.00 N ATOM 0 H GLN A 16 -9.171 9.831 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.807 10.818 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.294 8.491 -8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.956 7.960 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.947 7.823 -10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.104 9.569 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.476 7.060 -10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.302 7.983 -11.390 1.00 0.00 H new ATOM 275 N TYR A 17 -12.023 9.423 -6.430 1.00 0.00 N ATOM 276 CA TYR A 17 -13.288 9.280 -5.656 1.00 0.00 C ATOM 277 C TYR A 17 -13.518 10.536 -4.810 1.00 0.00 C ATOM 278 O TYR A 17 -14.534 11.193 -4.919 1.00 0.00 O ATOM 279 CB TYR A 17 -13.188 8.060 -4.737 1.00 0.00 C ATOM 280 CG TYR A 17 -13.139 6.800 -5.570 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.909 6.297 -6.010 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.325 6.131 -5.898 1.00 0.00 C ATOM 283 CE1 TYR A 17 -11.864 5.126 -6.779 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.279 4.961 -6.666 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.049 4.459 -7.106 1.00 0.00 C ATOM 286 OH TYR A 17 -13.006 3.306 -7.863 1.00 0.00 O ATOM 0 H TYR A 17 -11.190 9.052 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 17 -14.121 9.150 -6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.295 8.132 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.044 8.029 -4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.994 6.812 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.275 6.517 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.915 4.739 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.194 4.445 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.709 2.692 -7.564 1.00 0.00 H new ATOM 296 N SER A 18 -12.583 10.872 -3.962 1.00 0.00 N ATOM 297 CA SER A 18 -12.749 12.081 -3.104 1.00 0.00 C ATOM 298 C SER A 18 -12.803 13.334 -3.981 1.00 0.00 C ATOM 299 O SER A 18 -13.371 14.339 -3.606 1.00 0.00 O ATOM 300 CB SER A 18 -11.569 12.187 -2.139 1.00 0.00 C ATOM 301 OG SER A 18 -11.929 13.023 -1.046 1.00 0.00 O ATOM 0 H SER A 18 -11.711 10.361 -3.826 1.00 0.00 H new ATOM 0 HA SER A 18 -13.677 11.996 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.290 11.197 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.699 12.596 -2.653 1.00 0.00 H new ATOM 0 HG SER A 18 -12.119 12.470 -0.260 1.00 0.00 H new ATOM 307 N GLY A 19 -12.213 13.283 -5.144 1.00 0.00 N ATOM 308 CA GLY A 19 -12.232 14.475 -6.038 1.00 0.00 C ATOM 309 C GLY A 19 -13.677 14.895 -6.304 1.00 0.00 C ATOM 310 O GLY A 19 -13.959 16.044 -6.577 1.00 0.00 O ATOM 0 H GLY A 19 -11.720 12.470 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.683 15.296 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.731 14.245 -6.978 1.00 0.00 H new ATOM 314 N ARG A 20 -14.596 13.973 -6.229 1.00 0.00 N ATOM 315 CA ARG A 20 -16.021 14.322 -6.481 1.00 0.00 C ATOM 316 C ARG A 20 -16.391 15.578 -5.691 1.00 0.00 C ATOM 317 O ARG A 20 -16.459 16.664 -6.229 1.00 0.00 O ATOM 318 CB ARG A 20 -16.915 13.161 -6.044 1.00 0.00 C ATOM 319 CG ARG A 20 -16.787 12.015 -7.050 1.00 0.00 C ATOM 320 CD ARG A 20 -17.504 10.775 -6.513 1.00 0.00 C ATOM 321 NE ARG A 20 -18.979 10.982 -6.584 1.00 0.00 N ATOM 322 CZ ARG A 20 -19.731 10.657 -5.569 1.00 0.00 C ATOM 323 NH1 ARG A 20 -19.751 11.412 -4.504 1.00 0.00 N ATOM 324 NH2 ARG A 20 -20.464 9.578 -5.617 1.00 0.00 N ATOM 0 H ARG A 20 -14.422 12.993 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.164 14.511 -7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.627 12.820 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.952 13.490 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.217 12.309 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.735 11.790 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.221 9.898 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.202 10.585 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.399 11.377 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.179 12.256 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.339 11.158 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.449 8.988 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.052 9.325 -4.823 1.00 0.00 H new ATOM 338 N GLU A 21 -16.634 15.437 -4.419 1.00 0.00 N ATOM 339 CA GLU A 21 -17.004 16.618 -3.593 1.00 0.00 C ATOM 340 C GLU A 21 -15.928 17.698 -3.719 1.00 0.00 C ATOM 341 O GLU A 21 -15.063 17.632 -4.569 1.00 0.00 O ATOM 342 CB GLU A 21 -17.131 16.186 -2.134 1.00 0.00 C ATOM 343 CG GLU A 21 -17.984 14.920 -2.052 1.00 0.00 C ATOM 344 CD GLU A 21 -19.242 15.205 -1.230 1.00 0.00 C ATOM 345 OE1 GLU A 21 -20.177 15.758 -1.785 1.00 0.00 O ATOM 346 OE2 GLU A 21 -19.249 14.864 -0.059 1.00 0.00 O ATOM 0 H GLU A 21 -16.592 14.552 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.954 17.023 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.144 16.001 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.586 16.983 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.258 14.588 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.413 14.113 -1.594 1.00 0.00 H new ATOM 353 N GLY A 22 -15.981 18.697 -2.880 1.00 0.00 N ATOM 354 CA GLY A 22 -14.969 19.789 -2.951 1.00 0.00 C ATOM 355 C GLY A 22 -13.779 19.453 -2.052 1.00 0.00 C ATOM 356 O GLY A 22 -12.652 19.801 -2.343 1.00 0.00 O ATOM 0 H GLY A 22 -16.683 18.804 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.634 19.920 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.417 20.733 -2.639 1.00 0.00 H new ATOM 360 N ASP A 23 -14.020 18.786 -0.960 1.00 0.00 N ATOM 361 CA ASP A 23 -12.904 18.433 -0.039 1.00 0.00 C ATOM 362 C ASP A 23 -11.758 17.802 -0.836 1.00 0.00 C ATOM 363 O ASP A 23 -10.667 18.331 -0.894 1.00 0.00 O ATOM 364 CB ASP A 23 -13.397 17.443 1.022 1.00 0.00 C ATOM 365 CG ASP A 23 -14.541 16.592 0.463 1.00 0.00 C ATOM 366 OD1 ASP A 23 -15.674 17.034 0.543 1.00 0.00 O ATOM 367 OD2 ASP A 23 -14.264 15.512 -0.031 1.00 0.00 O ATOM 0 H ASP A 23 -14.943 18.469 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.548 19.338 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.576 16.799 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.735 17.985 1.905 1.00 0.00 H new ATOM 372 N LYS A 24 -11.996 16.678 -1.454 1.00 0.00 N ATOM 373 CA LYS A 24 -10.920 16.018 -2.248 1.00 0.00 C ATOM 374 C LYS A 24 -9.696 15.772 -1.361 1.00 0.00 C ATOM 375 O LYS A 24 -8.589 15.637 -1.844 1.00 0.00 O ATOM 376 CB LYS A 24 -10.526 16.923 -3.417 1.00 0.00 C ATOM 377 CG LYS A 24 -11.786 17.379 -4.157 1.00 0.00 C ATOM 378 CD LYS A 24 -11.430 17.729 -5.604 1.00 0.00 C ATOM 379 CE LYS A 24 -10.651 19.044 -5.635 1.00 0.00 C ATOM 380 NZ LYS A 24 -11.422 20.098 -4.915 1.00 0.00 N ATOM 0 H LYS A 24 -12.890 16.187 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.286 15.064 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.973 17.788 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.865 16.388 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.538 16.590 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.220 18.246 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.834 16.931 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.337 17.818 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.674 18.911 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.473 19.349 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.053 21.035 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.426 20.036 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.326 19.959 -3.889 1.00 0.00 H new ATOM 394 N HIS A 25 -9.882 15.712 -0.071 1.00 0.00 N ATOM 395 CA HIS A 25 -8.722 15.472 0.836 1.00 0.00 C ATOM 396 C HIS A 25 -9.153 14.566 1.991 1.00 0.00 C ATOM 397 O HIS A 25 -8.432 14.382 2.953 1.00 0.00 O ATOM 398 CB HIS A 25 -8.224 16.807 1.392 1.00 0.00 C ATOM 399 CG HIS A 25 -7.596 17.607 0.285 1.00 0.00 C ATOM 400 ND1 HIS A 25 -8.051 18.868 -0.066 1.00 0.00 N ATOM 401 CD2 HIS A 25 -6.547 17.339 -0.560 1.00 0.00 C ATOM 402 CE1 HIS A 25 -7.285 19.307 -1.081 1.00 0.00 C ATOM 403 NE2 HIS A 25 -6.352 18.413 -1.422 1.00 0.00 N ATOM 0 H HIS A 25 -10.784 15.818 0.394 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.920 14.989 0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.053 17.362 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.499 16.634 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.962 16.431 -0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.409 20.266 -1.562 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.649 18.500 -2.156 1.00 0.00 H new ATOM 411 N LYS A 26 -10.323 13.995 1.905 1.00 0.00 N ATOM 412 CA LYS A 26 -10.801 13.099 2.994 1.00 0.00 C ATOM 413 C LYS A 26 -11.736 12.044 2.402 1.00 0.00 C ATOM 414 O LYS A 26 -12.655 12.355 1.669 1.00 0.00 O ATOM 415 CB LYS A 26 -11.553 13.923 4.041 1.00 0.00 C ATOM 416 CG LYS A 26 -12.653 14.736 3.358 1.00 0.00 C ATOM 417 CD LYS A 26 -14.009 14.372 3.966 1.00 0.00 C ATOM 418 CE LYS A 26 -14.810 15.649 4.232 1.00 0.00 C ATOM 419 NZ LYS A 26 -16.095 15.297 4.900 1.00 0.00 N ATOM 0 H LYS A 26 -10.970 14.111 1.125 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.950 12.609 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.987 13.265 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.863 14.589 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.462 15.802 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.657 14.535 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.560 13.719 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.866 13.820 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.234 16.328 4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.005 16.171 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.851 15.920 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.336 14.307 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.996 15.418 5.928 1.00 0.00 H new ATOM 433 N LEU A 27 -11.511 10.798 2.710 1.00 0.00 N ATOM 434 CA LEU A 27 -12.385 9.724 2.162 1.00 0.00 C ATOM 435 C LEU A 27 -13.372 9.277 3.243 1.00 0.00 C ATOM 436 O LEU A 27 -13.666 10.010 4.166 1.00 0.00 O ATOM 437 CB LEU A 27 -11.515 8.542 1.725 1.00 0.00 C ATOM 438 CG LEU A 27 -11.657 8.329 0.217 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.981 7.016 -0.179 1.00 0.00 C ATOM 440 CD2 LEU A 27 -13.141 8.269 -0.151 1.00 0.00 C ATOM 0 H LEU A 27 -10.758 10.476 3.319 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.941 10.098 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.472 8.732 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.814 7.640 2.259 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.183 9.155 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.082 6.864 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.924 7.057 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.454 6.189 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.244 8.117 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.614 7.442 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.624 9.205 0.131 1.00 0.00 H new ATOM 452 N LYS A 28 -13.891 8.084 3.138 1.00 0.00 N ATOM 453 CA LYS A 28 -14.857 7.599 4.165 1.00 0.00 C ATOM 454 C LYS A 28 -14.759 6.077 4.274 1.00 0.00 C ATOM 455 O LYS A 28 -14.130 5.427 3.462 1.00 0.00 O ATOM 456 CB LYS A 28 -16.275 7.994 3.755 1.00 0.00 C ATOM 457 CG LYS A 28 -16.420 9.515 3.826 1.00 0.00 C ATOM 458 CD LYS A 28 -17.903 9.886 3.811 1.00 0.00 C ATOM 459 CE LYS A 28 -18.564 9.289 2.566 1.00 0.00 C ATOM 460 NZ LYS A 28 -19.855 9.987 2.307 1.00 0.00 N ATOM 0 H LYS A 28 -13.688 7.425 2.387 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.622 8.047 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.483 7.645 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.002 7.517 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.948 9.894 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.909 9.980 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.392 9.512 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.018 10.970 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.903 9.392 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.737 8.222 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.305 9.582 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.485 9.867 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.677 11.000 2.153 1.00 0.00 H new ATOM 474 N LYS A 29 -15.375 5.499 5.269 1.00 0.00 N ATOM 475 CA LYS A 29 -15.313 4.019 5.416 1.00 0.00 C ATOM 476 C LYS A 29 -16.283 3.370 4.427 1.00 0.00 C ATOM 477 O LYS A 29 -16.161 2.209 4.092 1.00 0.00 O ATOM 478 CB LYS A 29 -15.690 3.628 6.847 1.00 0.00 C ATOM 479 CG LYS A 29 -17.047 4.236 7.207 1.00 0.00 C ATOM 480 CD LYS A 29 -16.928 5.019 8.517 1.00 0.00 C ATOM 481 CE LYS A 29 -16.373 4.108 9.613 1.00 0.00 C ATOM 482 NZ LYS A 29 -15.981 4.933 10.792 1.00 0.00 N ATOM 0 H LYS A 29 -15.916 5.986 5.983 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.300 3.674 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.731 2.543 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.928 3.978 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.385 4.895 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.794 3.449 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.273 5.879 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.904 5.405 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.123 3.372 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.511 3.555 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.879 4.320 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.076 5.407 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.714 5.648 10.975 1.00 0.00 H new ATOM 496 N SER A 30 -17.242 4.116 3.948 1.00 0.00 N ATOM 497 CA SER A 30 -18.213 3.544 2.973 1.00 0.00 C ATOM 498 C SER A 30 -17.573 3.526 1.584 1.00 0.00 C ATOM 499 O SER A 30 -17.653 2.548 0.866 1.00 0.00 O ATOM 500 CB SER A 30 -19.478 4.404 2.947 1.00 0.00 C ATOM 501 OG SER A 30 -20.474 3.798 3.760 1.00 0.00 O ATOM 0 H SER A 30 -17.394 5.095 4.190 1.00 0.00 H new ATOM 0 HA SER A 30 -18.477 2.528 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.257 5.408 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.840 4.508 1.924 1.00 0.00 H new ATOM 0 HG SER A 30 -20.113 3.641 4.657 1.00 0.00 H new ATOM 507 N GLU A 31 -16.922 4.591 1.205 1.00 0.00 N ATOM 508 CA GLU A 31 -16.262 4.618 -0.127 1.00 0.00 C ATOM 509 C GLU A 31 -14.953 3.838 -0.027 1.00 0.00 C ATOM 510 O GLU A 31 -14.381 3.431 -1.017 1.00 0.00 O ATOM 511 CB GLU A 31 -15.975 6.065 -0.535 1.00 0.00 C ATOM 512 CG GLU A 31 -15.715 6.130 -2.042 1.00 0.00 C ATOM 513 CD GLU A 31 -16.174 7.486 -2.579 1.00 0.00 C ATOM 514 OE1 GLU A 31 -15.750 8.491 -2.032 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.941 7.496 -3.526 1.00 0.00 O ATOM 0 H GLU A 31 -16.820 5.441 1.760 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.911 4.168 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.820 6.702 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.110 6.443 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.654 5.986 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.249 5.326 -2.549 1.00 0.00 H new ATOM 522 N LEU A 32 -14.487 3.609 1.172 1.00 0.00 N ATOM 523 CA LEU A 32 -13.235 2.827 1.343 1.00 0.00 C ATOM 524 C LEU A 32 -13.595 1.349 1.219 1.00 0.00 C ATOM 525 O LEU A 32 -12.902 0.576 0.590 1.00 0.00 O ATOM 526 CB LEU A 32 -12.641 3.097 2.727 1.00 0.00 C ATOM 527 CG LEU A 32 -11.541 2.076 3.016 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.386 2.278 2.033 1.00 0.00 C ATOM 529 CD2 LEU A 32 -11.032 2.265 4.446 1.00 0.00 C ATOM 0 H LEU A 32 -14.921 3.931 2.037 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.500 3.110 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.235 4.108 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.419 3.034 3.487 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.942 1.069 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.601 1.550 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.748 2.143 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.985 3.285 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.248 1.537 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.631 3.272 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.854 2.121 5.147 1.00 0.00 H new ATOM 541 N LYS A 33 -14.699 0.965 1.802 1.00 0.00 N ATOM 542 CA LYS A 33 -15.147 -0.450 1.714 1.00 0.00 C ATOM 543 C LYS A 33 -15.276 -0.828 0.243 1.00 0.00 C ATOM 544 O LYS A 33 -14.846 -1.880 -0.188 1.00 0.00 O ATOM 545 CB LYS A 33 -16.510 -0.580 2.394 1.00 0.00 C ATOM 546 CG LYS A 33 -16.795 -2.049 2.708 1.00 0.00 C ATOM 547 CD LYS A 33 -18.164 -2.433 2.145 1.00 0.00 C ATOM 548 CE LYS A 33 -18.946 -3.220 3.198 1.00 0.00 C ATOM 549 NZ LYS A 33 -20.314 -3.513 2.684 1.00 0.00 N ATOM 0 H LYS A 33 -15.313 1.578 2.339 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.429 -1.108 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.526 0.007 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.290 -0.179 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.021 -2.682 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.774 -2.213 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.716 -1.537 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.043 -3.033 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.427 -4.149 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.008 -2.647 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.846 -4.048 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.807 -2.620 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.244 -4.075 1.812 1.00 0.00 H new ATOM 563 N GLU A 34 -15.858 0.040 -0.532 1.00 0.00 N ATOM 564 CA GLU A 34 -16.013 -0.235 -1.983 1.00 0.00 C ATOM 565 C GLU A 34 -14.638 -0.131 -2.635 1.00 0.00 C ATOM 566 O GLU A 34 -14.274 -0.900 -3.501 1.00 0.00 O ATOM 567 CB GLU A 34 -16.981 0.800 -2.585 1.00 0.00 C ATOM 568 CG GLU A 34 -16.246 2.098 -2.945 1.00 0.00 C ATOM 569 CD GLU A 34 -17.139 2.956 -3.842 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.335 2.716 -3.857 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.612 3.838 -4.500 1.00 0.00 O ATOM 0 H GLU A 34 -16.236 0.935 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.419 -1.232 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.453 0.386 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.778 1.015 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.988 2.646 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.311 1.869 -3.456 1.00 0.00 H new ATOM 578 N LEU A 35 -13.875 0.827 -2.202 1.00 0.00 N ATOM 579 CA LEU A 35 -12.513 1.017 -2.759 1.00 0.00 C ATOM 580 C LEU A 35 -11.777 -0.325 -2.773 1.00 0.00 C ATOM 581 O LEU A 35 -11.108 -0.663 -3.728 1.00 0.00 O ATOM 582 CB LEU A 35 -11.753 2.012 -1.879 1.00 0.00 C ATOM 583 CG LEU A 35 -11.045 3.037 -2.764 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.030 2.326 -3.660 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.077 3.755 -3.635 1.00 0.00 C ATOM 0 H LEU A 35 -14.140 1.494 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.577 1.401 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.443 2.515 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.026 1.486 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.528 3.763 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.526 3.058 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.294 1.813 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.545 1.600 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.574 4.487 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.593 3.028 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.801 4.263 -2.998 1.00 0.00 H new ATOM 597 N ILE A 36 -11.890 -1.089 -1.721 1.00 0.00 N ATOM 598 CA ILE A 36 -11.189 -2.403 -1.676 1.00 0.00 C ATOM 599 C ILE A 36 -11.990 -3.454 -2.450 1.00 0.00 C ATOM 600 O ILE A 36 -11.498 -4.064 -3.379 1.00 0.00 O ATOM 601 CB ILE A 36 -11.037 -2.863 -0.224 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.996 -1.641 0.707 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.742 -3.668 -0.086 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.369 -2.025 2.052 1.00 0.00 C ATOM 0 H ILE A 36 -12.437 -0.860 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.205 -2.288 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.886 -3.488 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.420 -0.840 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.005 -1.259 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.627 -3.999 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.782 -4.537 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.893 -3.042 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.345 -1.152 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.963 -2.811 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.353 -2.386 1.890 1.00 0.00 H new ATOM 616 N ASN A 37 -13.215 -3.682 -2.064 1.00 0.00 N ATOM 617 CA ASN A 37 -14.040 -4.705 -2.766 1.00 0.00 C ATOM 618 C ASN A 37 -14.370 -4.229 -4.181 1.00 0.00 C ATOM 619 O ASN A 37 -13.990 -4.839 -5.159 1.00 0.00 O ATOM 620 CB ASN A 37 -15.338 -4.930 -1.985 1.00 0.00 C ATOM 621 CG ASN A 37 -16.053 -6.172 -2.521 1.00 0.00 C ATOM 622 OD1 ASN A 37 -15.981 -6.470 -3.696 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.747 -6.913 -1.701 1.00 0.00 N ATOM 0 H ASN A 37 -13.680 -3.204 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.481 -5.639 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.119 -5.054 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.985 -4.058 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.229 -7.743 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.807 -6.663 -0.714 1.00 0.00 H new ATOM 630 N ASN A 38 -15.084 -3.147 -4.298 1.00 0.00 N ATOM 631 CA ASN A 38 -15.448 -2.635 -5.647 1.00 0.00 C ATOM 632 C ASN A 38 -14.238 -2.705 -6.585 1.00 0.00 C ATOM 633 O ASN A 38 -14.317 -3.236 -7.674 1.00 0.00 O ATOM 634 CB ASN A 38 -15.917 -1.186 -5.529 1.00 0.00 C ATOM 635 CG ASN A 38 -16.678 -0.794 -6.794 1.00 0.00 C ATOM 636 OD1 ASN A 38 -16.048 -0.774 -7.937 1.00 0.00 O flip ATOM 637 ND2 ASN A 38 -17.856 -0.505 -6.745 1.00 0.00 N flip ATOM 0 H ASN A 38 -15.433 -2.593 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.249 -3.251 -6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.558 -1.070 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.061 -0.526 -5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.348 -0.521 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -18.354 -0.247 -7.597 1.00 0.00 H new ATOM 644 N GLU A 39 -13.123 -2.162 -6.179 1.00 0.00 N ATOM 645 CA GLU A 39 -11.918 -2.187 -7.060 1.00 0.00 C ATOM 646 C GLU A 39 -11.236 -3.558 -6.992 1.00 0.00 C ATOM 647 O GLU A 39 -11.389 -4.380 -7.873 1.00 0.00 O ATOM 648 CB GLU A 39 -10.934 -1.105 -6.609 1.00 0.00 C ATOM 649 CG GLU A 39 -11.643 0.250 -6.568 1.00 0.00 C ATOM 650 CD GLU A 39 -12.150 0.604 -7.968 1.00 0.00 C ATOM 651 OE1 GLU A 39 -11.336 0.989 -8.792 1.00 0.00 O ATOM 652 OE2 GLU A 39 -13.343 0.485 -8.192 1.00 0.00 O ATOM 0 H GLU A 39 -12.993 -1.703 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.228 -1.998 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.537 -1.349 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.086 -1.062 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.476 0.215 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.958 1.020 -6.212 1.00 0.00 H new ATOM 659 N LEU A 40 -10.470 -3.806 -5.964 1.00 0.00 N ATOM 660 CA LEU A 40 -9.765 -5.110 -5.854 1.00 0.00 C ATOM 661 C LEU A 40 -10.779 -6.258 -5.865 1.00 0.00 C ATOM 662 O LEU A 40 -11.178 -6.732 -6.911 1.00 0.00 O ATOM 663 CB LEU A 40 -8.962 -5.125 -4.553 1.00 0.00 C ATOM 664 CG LEU A 40 -7.934 -3.994 -4.584 1.00 0.00 C ATOM 665 CD1 LEU A 40 -6.998 -4.113 -3.380 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.117 -4.087 -5.874 1.00 0.00 C ATOM 0 H LEU A 40 -10.303 -3.158 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.092 -5.240 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.628 -5.004 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.461 -6.085 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.451 -3.035 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.267 -3.305 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.579 -4.047 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.480 -5.072 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.383 -3.282 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.603 -5.048 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.782 -3.998 -6.733 1.00 0.00 H new ATOM 678 N SER A 41 -11.195 -6.716 -4.716 1.00 0.00 N ATOM 679 CA SER A 41 -12.177 -7.837 -4.673 1.00 0.00 C ATOM 680 C SER A 41 -11.664 -8.999 -5.524 1.00 0.00 C ATOM 681 O SER A 41 -12.417 -9.856 -5.940 1.00 0.00 O ATOM 682 CB SER A 41 -13.521 -7.361 -5.224 1.00 0.00 C ATOM 683 OG SER A 41 -14.291 -8.487 -5.620 1.00 0.00 O ATOM 0 H SER A 41 -10.898 -6.363 -3.806 1.00 0.00 H new ATOM 0 HA SER A 41 -12.302 -8.168 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.056 -6.789 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.364 -6.696 -6.073 1.00 0.00 H new ATOM 0 HG SER A 41 -13.846 -9.308 -5.324 1.00 0.00 H new ATOM 689 N HIS A 42 -10.385 -9.037 -5.788 1.00 0.00 N ATOM 690 CA HIS A 42 -9.828 -10.146 -6.613 1.00 0.00 C ATOM 691 C HIS A 42 -9.268 -11.233 -5.693 1.00 0.00 C ATOM 692 O HIS A 42 -9.198 -12.390 -6.057 1.00 0.00 O ATOM 693 CB HIS A 42 -8.708 -9.606 -7.503 1.00 0.00 C ATOM 694 CG HIS A 42 -8.716 -10.333 -8.820 1.00 0.00 C ATOM 695 ND1 HIS A 42 -9.040 -11.677 -8.921 1.00 0.00 N ATOM 696 CD2 HIS A 42 -8.442 -9.918 -10.100 1.00 0.00 C ATOM 697 CE1 HIS A 42 -8.955 -12.019 -10.219 1.00 0.00 C ATOM 698 NE2 HIS A 42 -8.593 -10.984 -10.982 1.00 0.00 N ATOM 0 H HIS A 42 -9.704 -8.349 -5.468 1.00 0.00 H new ATOM 0 HA HIS A 42 -10.617 -10.567 -7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -8.842 -8.537 -7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.744 -9.735 -7.011 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -9.296 -12.295 -8.151 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.153 -8.916 -10.380 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.155 -13.010 -10.598 1.00 0.00 H new ATOM 706 N PHE A 43 -8.871 -10.871 -4.505 1.00 0.00 N ATOM 707 CA PHE A 43 -8.317 -11.885 -3.564 1.00 0.00 C ATOM 708 C PHE A 43 -9.215 -11.978 -2.330 1.00 0.00 C ATOM 709 O PHE A 43 -8.770 -11.806 -1.211 1.00 0.00 O ATOM 710 CB PHE A 43 -6.906 -11.468 -3.141 1.00 0.00 C ATOM 711 CG PHE A 43 -6.198 -10.835 -4.314 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.158 -11.497 -5.547 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.583 -9.585 -4.171 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.504 -10.911 -6.637 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.928 -8.999 -5.261 1.00 0.00 C ATOM 716 CZ PHE A 43 -4.889 -9.662 -6.494 1.00 0.00 C ATOM 0 H PHE A 43 -8.906 -9.917 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.276 -12.857 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.956 -10.765 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.348 -12.336 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.632 -12.461 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.614 -9.073 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.474 -11.422 -7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.453 -8.035 -5.151 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.384 -9.209 -7.335 1.00 0.00 H new ATOM 726 N LEU A 44 -10.478 -12.247 -2.521 1.00 0.00 N ATOM 727 CA LEU A 44 -11.404 -12.350 -1.356 1.00 0.00 C ATOM 728 C LEU A 44 -12.261 -13.609 -1.492 1.00 0.00 C ATOM 729 O LEU A 44 -13.474 -13.553 -1.450 1.00 0.00 O ATOM 730 CB LEU A 44 -12.310 -11.117 -1.313 1.00 0.00 C ATOM 731 CG LEU A 44 -12.296 -10.521 0.097 1.00 0.00 C ATOM 732 CD1 LEU A 44 -11.216 -9.443 0.187 1.00 0.00 C ATOM 733 CD2 LEU A 44 -13.661 -9.897 0.401 1.00 0.00 C ATOM 0 H LEU A 44 -10.909 -12.400 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.823 -12.406 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.968 -10.376 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.327 -11.390 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.085 -11.309 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.207 -9.020 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.243 -9.884 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.427 -8.656 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.652 -9.473 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.871 -9.110 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.433 -10.663 0.338 1.00 0.00 H new ATOM 745 N GLU A 45 -11.641 -14.746 -1.651 1.00 0.00 N ATOM 746 CA GLU A 45 -12.422 -16.008 -1.787 1.00 0.00 C ATOM 747 C GLU A 45 -12.453 -16.732 -0.442 1.00 0.00 C ATOM 748 O GLU A 45 -13.463 -16.769 0.235 1.00 0.00 O ATOM 749 CB GLU A 45 -11.763 -16.905 -2.836 1.00 0.00 C ATOM 750 CG GLU A 45 -11.620 -16.136 -4.151 1.00 0.00 C ATOM 751 CD GLU A 45 -11.803 -17.097 -5.327 1.00 0.00 C ATOM 752 OE1 GLU A 45 -12.930 -17.492 -5.574 1.00 0.00 O ATOM 753 OE2 GLU A 45 -10.813 -17.421 -5.962 1.00 0.00 O ATOM 0 H GLU A 45 -10.628 -14.856 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.440 -15.775 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.784 -17.232 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.363 -17.802 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.361 -15.339 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.639 -15.663 -4.203 1.00 0.00 H new ATOM 760 N GLU A 46 -11.354 -17.308 -0.048 1.00 0.00 N ATOM 761 CA GLU A 46 -11.314 -18.030 1.254 1.00 0.00 C ATOM 762 C GLU A 46 -10.717 -17.115 2.324 1.00 0.00 C ATOM 763 O GLU A 46 -10.971 -17.270 3.502 1.00 0.00 O ATOM 764 CB GLU A 46 -10.450 -19.287 1.115 1.00 0.00 C ATOM 765 CG GLU A 46 -11.046 -20.199 0.042 1.00 0.00 C ATOM 766 CD GLU A 46 -9.945 -21.075 -0.559 1.00 0.00 C ATOM 767 OE1 GLU A 46 -8.788 -20.719 -0.414 1.00 0.00 O ATOM 768 OE2 GLU A 46 -10.278 -22.086 -1.156 1.00 0.00 O ATOM 0 H GLU A 46 -10.479 -17.311 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.325 -18.316 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.430 -19.012 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.399 -19.814 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.826 -20.825 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.515 -19.600 -0.739 1.00 0.00 H new ATOM 775 N ILE A 47 -9.927 -16.157 1.922 1.00 0.00 N ATOM 776 CA ILE A 47 -9.315 -15.228 2.913 1.00 0.00 C ATOM 777 C ILE A 47 -8.434 -16.016 3.884 1.00 0.00 C ATOM 778 O ILE A 47 -8.916 -16.788 4.688 1.00 0.00 O ATOM 779 CB ILE A 47 -10.420 -14.513 3.692 1.00 0.00 C ATOM 780 CG1 ILE A 47 -11.257 -13.671 2.726 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.793 -13.601 4.749 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.685 -13.549 3.260 1.00 0.00 C ATOM 0 H ILE A 47 -9.679 -15.978 0.949 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.705 -14.493 2.388 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.056 -15.251 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.814 -12.681 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.265 -14.132 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.581 -13.092 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.194 -14.199 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.157 -12.862 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.281 -12.949 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.126 -14.542 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.668 -13.069 4.238 1.00 0.00 H new ATOM 794 N LYS A 48 -7.144 -15.826 3.816 1.00 0.00 N ATOM 795 CA LYS A 48 -6.231 -16.562 4.735 1.00 0.00 C ATOM 796 C LYS A 48 -6.004 -15.728 5.999 1.00 0.00 C ATOM 797 O LYS A 48 -6.037 -16.235 7.102 1.00 0.00 O ATOM 798 CB LYS A 48 -4.893 -16.807 4.035 1.00 0.00 C ATOM 799 CG LYS A 48 -4.043 -17.761 4.875 1.00 0.00 C ATOM 800 CD LYS A 48 -2.918 -16.978 5.554 1.00 0.00 C ATOM 801 CE LYS A 48 -2.287 -17.837 6.648 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.843 -18.049 6.346 1.00 0.00 N ATOM 0 H LYS A 48 -6.683 -15.192 3.163 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.678 -17.519 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.061 -17.230 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.367 -15.863 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.663 -18.253 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.625 -18.545 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.164 -16.694 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.310 -16.055 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.399 -17.350 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.800 -18.796 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.415 -18.634 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.747 -18.531 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.358 -17.130 6.306 1.00 0.00 H new ATOM 816 N GLU A 49 -5.779 -14.451 5.847 1.00 0.00 N ATOM 817 CA GLU A 49 -5.558 -13.586 7.041 1.00 0.00 C ATOM 818 C GLU A 49 -6.912 -13.134 7.588 1.00 0.00 C ATOM 819 O GLU A 49 -7.239 -11.965 7.575 1.00 0.00 O ATOM 820 CB GLU A 49 -4.741 -12.356 6.638 1.00 0.00 C ATOM 821 CG GLU A 49 -3.252 -12.640 6.841 1.00 0.00 C ATOM 822 CD GLU A 49 -2.879 -12.382 8.302 1.00 0.00 C ATOM 823 OE1 GLU A 49 -3.676 -11.776 8.999 1.00 0.00 O ATOM 824 OE2 GLU A 49 -1.801 -12.794 8.699 1.00 0.00 O ATOM 0 H GLU A 49 -5.739 -13.970 4.949 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.018 -14.147 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.935 -12.104 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.042 -11.495 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.028 -13.673 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.657 -12.005 6.185 1.00 0.00 H new ATOM 831 N GLN A 50 -7.707 -14.052 8.061 1.00 0.00 N ATOM 832 CA GLN A 50 -9.043 -13.676 8.600 1.00 0.00 C ATOM 833 C GLN A 50 -8.912 -12.473 9.537 1.00 0.00 C ATOM 834 O GLN A 50 -9.852 -11.737 9.742 1.00 0.00 O ATOM 835 CB GLN A 50 -9.632 -14.858 9.373 1.00 0.00 C ATOM 836 CG GLN A 50 -11.116 -14.601 9.646 1.00 0.00 C ATOM 837 CD GLN A 50 -11.367 -14.607 11.155 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.566 -15.649 11.746 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.367 -13.478 11.810 1.00 0.00 N ATOM 0 H GLN A 50 -7.489 -15.048 8.098 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.700 -13.414 7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.511 -15.777 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.097 -14.995 10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.414 -13.642 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.723 -15.366 9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.200 -12.602 11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.534 -13.472 12.816 1.00 0.00 H new ATOM 848 N GLU A 51 -7.762 -12.271 10.117 1.00 0.00 N ATOM 849 CA GLU A 51 -7.594 -11.119 11.050 1.00 0.00 C ATOM 850 C GLU A 51 -7.355 -9.826 10.265 1.00 0.00 C ATOM 851 O GLU A 51 -7.875 -8.783 10.603 1.00 0.00 O ATOM 852 CB GLU A 51 -6.403 -11.381 11.974 1.00 0.00 C ATOM 853 CG GLU A 51 -6.838 -11.204 13.431 1.00 0.00 C ATOM 854 CD GLU A 51 -5.727 -11.695 14.361 1.00 0.00 C ATOM 855 OE1 GLU A 51 -4.781 -12.281 13.863 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.843 -11.478 15.556 1.00 0.00 O ATOM 0 H GLU A 51 -6.933 -12.851 9.987 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.503 -11.009 11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.023 -12.390 11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.590 -10.694 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.057 -10.155 13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.756 -11.762 13.618 1.00 0.00 H new ATOM 863 N VAL A 52 -6.563 -9.878 9.229 1.00 0.00 N ATOM 864 CA VAL A 52 -6.290 -8.642 8.442 1.00 0.00 C ATOM 865 C VAL A 52 -7.552 -8.214 7.690 1.00 0.00 C ATOM 866 O VAL A 52 -7.922 -7.057 7.690 1.00 0.00 O ATOM 867 CB VAL A 52 -5.167 -8.913 7.440 1.00 0.00 C ATOM 868 CG1 VAL A 52 -4.941 -7.675 6.573 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.880 -9.243 8.196 1.00 0.00 C ATOM 0 H VAL A 52 -6.095 -10.720 8.894 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.990 -7.844 9.121 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.445 -9.754 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.140 -7.871 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.857 -7.437 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.664 -6.833 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.079 -9.436 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.605 -8.401 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.037 -10.127 8.814 1.00 0.00 H new ATOM 879 N VAL A 53 -8.213 -9.133 7.047 1.00 0.00 N ATOM 880 CA VAL A 53 -9.443 -8.772 6.293 1.00 0.00 C ATOM 881 C VAL A 53 -10.596 -8.537 7.268 1.00 0.00 C ATOM 882 O VAL A 53 -11.486 -7.753 7.009 1.00 0.00 O ATOM 883 CB VAL A 53 -9.803 -9.905 5.329 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.063 -9.533 4.547 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.646 -10.130 4.353 1.00 0.00 C ATOM 0 H VAL A 53 -7.955 -10.119 7.011 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.264 -7.859 5.726 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.985 -10.818 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.317 -10.341 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.888 -9.373 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.883 -8.619 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.901 -10.937 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.464 -9.216 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.748 -10.398 4.909 1.00 0.00 H new ATOM 895 N ASP A 54 -10.592 -9.203 8.390 1.00 0.00 N ATOM 896 CA ASP A 54 -11.694 -8.996 9.368 1.00 0.00 C ATOM 897 C ASP A 54 -11.421 -7.724 10.166 1.00 0.00 C ATOM 898 O ASP A 54 -12.313 -7.143 10.745 1.00 0.00 O ATOM 899 CB ASP A 54 -11.777 -10.186 10.323 1.00 0.00 C ATOM 900 CG ASP A 54 -12.993 -10.022 11.237 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.076 -9.813 10.717 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.820 -10.108 12.442 1.00 0.00 O ATOM 0 H ASP A 54 -9.879 -9.876 8.669 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.639 -8.904 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.856 -11.115 9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.867 -10.252 10.919 1.00 0.00 H new ATOM 907 N LYS A 55 -10.193 -7.282 10.199 1.00 0.00 N ATOM 908 CA LYS A 55 -9.877 -6.045 10.960 1.00 0.00 C ATOM 909 C LYS A 55 -10.323 -4.831 10.148 1.00 0.00 C ATOM 910 O LYS A 55 -10.908 -3.905 10.673 1.00 0.00 O ATOM 911 CB LYS A 55 -8.371 -5.976 11.218 1.00 0.00 C ATOM 912 CG LYS A 55 -8.050 -4.723 12.032 1.00 0.00 C ATOM 913 CD LYS A 55 -7.926 -3.528 11.089 1.00 0.00 C ATOM 914 CE LYS A 55 -6.978 -2.493 11.697 1.00 0.00 C ATOM 915 NZ LYS A 55 -7.763 -1.497 12.481 1.00 0.00 N ATOM 0 H LYS A 55 -9.400 -7.723 9.733 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.401 -6.054 11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.042 -6.866 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.830 -5.957 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.834 -4.542 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.121 -4.863 12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.551 -3.854 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.906 -3.083 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.250 -2.986 12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.418 -1.991 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.118 -0.794 12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.441 -1.019 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.278 -1.983 13.242 1.00 0.00 H new ATOM 929 N VAL A 56 -10.065 -4.827 8.867 1.00 0.00 N ATOM 930 CA VAL A 56 -10.493 -3.673 8.037 1.00 0.00 C ATOM 931 C VAL A 56 -11.987 -3.798 7.750 1.00 0.00 C ATOM 932 O VAL A 56 -12.711 -2.823 7.722 1.00 0.00 O ATOM 933 CB VAL A 56 -9.720 -3.672 6.716 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.276 -3.234 6.962 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.722 -5.074 6.100 1.00 0.00 C ATOM 0 H VAL A 56 -9.579 -5.570 8.365 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.292 -2.743 8.570 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.204 -2.977 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.730 -3.235 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.268 -2.230 7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.800 -3.925 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.169 -5.060 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.250 -5.775 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.749 -5.387 5.912 1.00 0.00 H new ATOM 945 N MET A 57 -12.450 -4.995 7.546 1.00 0.00 N ATOM 946 CA MET A 57 -13.896 -5.206 7.271 1.00 0.00 C ATOM 947 C MET A 57 -14.687 -4.960 8.553 1.00 0.00 C ATOM 948 O MET A 57 -15.861 -4.653 8.518 1.00 0.00 O ATOM 949 CB MET A 57 -14.109 -6.648 6.813 1.00 0.00 C ATOM 950 CG MET A 57 -15.467 -6.774 6.121 1.00 0.00 C ATOM 951 SD MET A 57 -15.519 -5.677 4.682 1.00 0.00 S ATOM 952 CE MET A 57 -14.096 -6.376 3.807 1.00 0.00 C ATOM 0 H MET A 57 -11.885 -5.844 7.558 1.00 0.00 H new ATOM 0 HA MET A 57 -14.233 -4.520 6.494 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.313 -6.944 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.062 -7.322 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.634 -7.805 5.811 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.266 -6.517 6.816 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.253 -6.291 2.732 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.194 -5.832 4.086 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.984 -7.426 4.076 1.00 0.00 H new ATOM 962 N GLU A 58 -14.056 -5.095 9.688 1.00 0.00 N ATOM 963 CA GLU A 58 -14.783 -4.864 10.969 1.00 0.00 C ATOM 964 C GLU A 58 -14.973 -3.363 11.180 1.00 0.00 C ATOM 965 O GLU A 58 -16.071 -2.901 11.415 1.00 0.00 O ATOM 966 CB GLU A 58 -13.986 -5.445 12.138 1.00 0.00 C ATOM 967 CG GLU A 58 -14.519 -6.840 12.476 1.00 0.00 C ATOM 968 CD GLU A 58 -14.232 -7.156 13.944 1.00 0.00 C ATOM 969 OE1 GLU A 58 -14.313 -6.247 14.754 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.934 -8.302 14.235 1.00 0.00 O ATOM 0 H GLU A 58 -13.074 -5.354 9.784 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.755 -5.356 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.929 -5.501 11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.067 -4.793 13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.591 -6.887 12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.049 -7.585 11.834 1.00 0.00 H new ATOM 977 N THR A 59 -13.923 -2.591 11.086 1.00 0.00 N ATOM 978 CA THR A 59 -14.079 -1.122 11.271 1.00 0.00 C ATOM 979 C THR A 59 -14.951 -0.592 10.137 1.00 0.00 C ATOM 980 O THR A 59 -15.722 0.335 10.300 1.00 0.00 O ATOM 981 CB THR A 59 -12.708 -0.446 11.227 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.740 -1.304 11.814 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.760 0.872 12.001 1.00 0.00 C ATOM 0 H THR A 59 -12.974 -2.911 10.891 1.00 0.00 H new ATOM 0 HA THR A 59 -14.541 -0.910 12.235 1.00 0.00 H new ATOM 0 HB THR A 59 -12.436 -0.245 10.191 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.860 -0.873 11.785 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.782 1.352 11.968 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.502 1.530 11.549 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.033 0.675 13.038 1.00 0.00 H new ATOM 991 N LEU A 60 -14.835 -1.196 8.988 1.00 0.00 N ATOM 992 CA LEU A 60 -15.647 -0.770 7.820 1.00 0.00 C ATOM 993 C LEU A 60 -17.130 -0.953 8.147 1.00 0.00 C ATOM 994 O LEU A 60 -17.924 -0.042 8.019 1.00 0.00 O ATOM 995 CB LEU A 60 -15.271 -1.640 6.619 1.00 0.00 C ATOM 996 CG LEU A 60 -14.195 -0.935 5.793 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.724 -1.858 4.669 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.772 0.345 5.191 1.00 0.00 C ATOM 0 H LEU A 60 -14.203 -1.977 8.809 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.457 0.278 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.906 -2.609 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.151 -1.829 6.004 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.351 -0.687 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.957 -1.354 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.311 -2.771 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.568 -2.108 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.005 0.848 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.617 0.096 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.106 1.005 5.991 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.505 -2.128 8.568 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.932 -2.384 8.908 1.00 0.00 C ATOM 1012 C ASP A 61 -19.230 -1.843 10.308 1.00 0.00 C ATOM 1013 O ASP A 61 -20.361 -1.834 10.753 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.196 -3.891 8.878 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.333 -4.191 7.900 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.222 -3.793 6.752 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.297 -4.811 8.316 1.00 0.00 O ATOM 0 H ASP A 61 -16.882 -2.926 8.692 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.575 -1.885 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.294 -4.423 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.457 -4.245 9.875 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.225 -1.399 11.012 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.455 -0.866 12.386 1.00 0.00 C ATOM 1024 C GLU A 62 -19.269 0.424 12.308 1.00 0.00 C ATOM 1025 O GLU A 62 -20.157 0.658 13.104 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.111 -0.577 13.057 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.286 -0.595 14.577 1.00 0.00 C ATOM 1028 CD GLU A 62 -16.242 0.316 15.223 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -15.164 -0.171 15.522 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -16.538 1.485 15.408 1.00 0.00 O ATOM 0 H GLU A 62 -17.255 -1.382 10.696 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.002 -1.606 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.374 -1.322 12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.733 0.393 12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.289 -0.261 14.842 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.179 -1.612 14.954 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.974 1.264 11.359 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.732 2.541 11.239 1.00 0.00 C ATOM 1039 C ASP A 63 -20.315 2.667 9.831 1.00 0.00 C ATOM 1040 O ASP A 63 -21.504 2.837 9.654 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.792 3.716 11.509 1.00 0.00 C ATOM 1042 CG ASP A 63 -19.338 4.554 12.668 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.298 4.075 13.790 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -19.785 5.660 12.415 1.00 0.00 O ATOM 0 H ASP A 63 -18.243 1.124 10.662 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.545 2.548 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.795 3.349 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -18.697 4.332 10.615 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.486 2.587 8.831 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.989 2.706 7.433 1.00 0.00 C ATOM 1051 C GLY A 64 -19.968 4.175 7.010 1.00 0.00 C ATOM 1052 O GLY A 64 -19.418 4.529 5.986 1.00 0.00 O ATOM 0 H GLY A 64 -18.480 2.444 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.369 2.113 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.002 2.311 7.364 1.00 0.00 H new ATOM 1056 N ASP A 65 -20.559 5.035 7.794 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.570 6.481 7.440 1.00 0.00 C ATOM 1058 C ASP A 65 -19.580 7.230 8.335 1.00 0.00 C ATOM 1059 O ASP A 65 -19.926 7.712 9.395 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.976 7.048 7.652 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.206 8.216 6.693 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -22.294 7.970 5.501 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.291 9.337 7.166 1.00 0.00 O ATOM 0 H ASP A 65 -21.035 4.798 8.665 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.283 6.602 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.722 6.272 7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.093 7.382 8.683 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.347 7.329 7.917 1.00 0.00 N ATOM 1069 CA GLY A 66 -17.336 8.043 8.743 1.00 0.00 C ATOM 1070 C GLY A 66 -16.319 8.726 7.828 1.00 0.00 C ATOM 1071 O GLY A 66 -16.359 8.581 6.622 1.00 0.00 O ATOM 0 H GLY A 66 -17.998 6.946 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.825 8.783 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.831 7.340 9.406 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.408 9.471 8.391 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.391 10.164 7.550 1.00 0.00 C ATOM 1077 C GLU A 67 -13.017 9.529 7.774 1.00 0.00 C ATOM 1078 O GLU A 67 -12.539 9.435 8.887 1.00 0.00 O ATOM 1079 CB GLU A 67 -14.339 11.645 7.934 1.00 0.00 C ATOM 1080 CG GLU A 67 -15.574 12.358 7.379 1.00 0.00 C ATOM 1081 CD GLU A 67 -15.693 13.746 8.010 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.695 14.234 8.516 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -16.779 14.300 7.976 1.00 0.00 O ATOM 0 H GLU A 67 -15.324 9.630 9.395 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.664 10.068 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.302 11.750 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.433 12.103 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.499 12.446 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.469 11.773 7.591 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.377 9.097 6.721 1.00 0.00 N ATOM 1091 CA CYS A 68 -11.031 8.474 6.865 1.00 0.00 C ATOM 1092 C CYS A 68 -9.973 9.445 6.347 1.00 0.00 C ATOM 1093 O CYS A 68 -10.286 10.486 5.804 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.977 7.180 6.049 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.569 5.802 7.062 1.00 0.00 S ATOM 0 H CYS A 68 -12.730 9.149 5.765 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.842 8.248 7.914 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.591 7.277 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.956 6.989 5.717 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.525 4.703 6.368 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.722 9.117 6.508 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.650 10.027 6.020 1.00 0.00 C ATOM 1103 C ASP A 69 -6.872 9.333 4.901 1.00 0.00 C ATOM 1104 O ASP A 69 -7.204 8.240 4.491 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.705 10.363 7.175 1.00 0.00 C ATOM 1106 CG ASP A 69 -7.511 10.930 8.346 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -8.627 11.365 8.115 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.999 10.920 9.453 1.00 0.00 O ATOM 0 H ASP A 69 -8.396 8.260 6.955 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.092 10.947 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.166 9.469 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.958 11.087 6.849 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.841 9.955 4.401 1.00 0.00 N ATOM 1114 CA PHE A 70 -5.053 9.317 3.307 1.00 0.00 C ATOM 1115 C PHE A 70 -4.201 8.190 3.890 1.00 0.00 C ATOM 1116 O PHE A 70 -4.186 7.086 3.384 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.144 10.357 2.652 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.392 9.721 1.505 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -4.019 8.764 0.697 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -2.065 10.090 1.251 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -3.320 8.178 -0.365 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -1.367 9.502 0.188 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.994 8.547 -0.619 1.00 0.00 C ATOM 0 H PHE A 70 -5.510 10.873 4.700 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.734 8.913 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.737 11.197 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.442 10.755 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.042 8.478 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.580 10.827 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.804 7.441 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.344 9.786 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.455 8.094 -1.438 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.490 8.458 4.950 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.643 7.399 5.560 1.00 0.00 C ATOM 1135 C GLN A 71 -3.532 6.249 6.031 1.00 0.00 C ATOM 1136 O GLN A 71 -3.087 5.127 6.171 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.879 7.978 6.754 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.864 9.010 6.258 1.00 0.00 C ATOM 1139 CD GLN A 71 0.538 8.612 6.722 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.323 9.452 7.108 1.00 0.00 O ATOM 1141 NE2 GLN A 71 0.887 7.355 6.695 1.00 0.00 N ATOM 0 H GLN A 71 -3.460 9.364 5.419 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.931 7.031 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.574 8.443 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.369 7.181 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.895 9.072 5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.118 9.998 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.226 6.649 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.821 7.078 6.999 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.785 6.514 6.274 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.698 5.432 6.729 1.00 0.00 C ATOM 1152 C GLU A 72 -6.126 4.598 5.521 1.00 0.00 C ATOM 1153 O GLU A 72 -5.965 3.396 5.498 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.928 6.053 7.392 1.00 0.00 C ATOM 1155 CG GLU A 72 -6.701 6.149 8.902 1.00 0.00 C ATOM 1156 CD GLU A 72 -7.814 5.396 9.633 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -8.379 4.494 9.039 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -8.082 5.736 10.774 1.00 0.00 O ATOM 0 H GLU A 72 -5.215 7.434 6.177 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.187 4.793 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.116 7.044 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.811 5.448 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.730 5.727 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.689 7.194 9.213 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.658 5.231 4.515 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.080 4.477 3.303 1.00 0.00 C ATOM 1167 C PHE A 73 -5.848 3.784 2.711 1.00 0.00 C ATOM 1168 O PHE A 73 -5.953 2.822 1.977 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.696 5.464 2.291 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.373 5.054 0.869 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.140 5.402 0.307 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.305 4.328 0.117 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.836 5.024 -1.006 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -8.001 3.952 -1.197 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.767 4.300 -1.759 1.00 0.00 C ATOM 0 H PHE A 73 -6.819 6.238 4.479 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.827 3.723 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.777 5.502 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.316 6.468 2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.422 5.963 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.257 4.059 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.883 5.291 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.720 3.393 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.534 4.010 -2.773 1.00 0.00 H new ATOM 1185 N MET A 74 -4.680 4.271 3.030 1.00 0.00 N ATOM 1186 CA MET A 74 -3.437 3.650 2.495 1.00 0.00 C ATOM 1187 C MET A 74 -3.128 2.382 3.281 1.00 0.00 C ATOM 1188 O MET A 74 -3.063 1.299 2.735 1.00 0.00 O ATOM 1189 CB MET A 74 -2.276 4.631 2.663 1.00 0.00 C ATOM 1190 CG MET A 74 -1.512 4.777 1.342 1.00 0.00 C ATOM 1191 SD MET A 74 -2.660 5.200 0.008 1.00 0.00 S ATOM 1192 CE MET A 74 -2.636 3.593 -0.826 1.00 0.00 C ATOM 0 H MET A 74 -4.534 5.075 3.640 1.00 0.00 H new ATOM 0 HA MET A 74 -3.573 3.408 1.441 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.654 5.602 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.602 4.279 3.444 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.750 5.551 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.995 3.847 1.107 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.025 3.659 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.216 2.842 -0.157 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.653 3.309 -1.098 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.930 2.510 4.561 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.616 1.310 5.381 1.00 0.00 C ATOM 1204 C ALA A 75 -3.791 0.336 5.329 1.00 0.00 C ATOM 1205 O ALA A 75 -3.657 -0.823 5.655 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.360 1.731 6.830 1.00 0.00 C ATOM 0 H ALA A 75 -2.972 3.391 5.074 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.725 0.823 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.130 0.850 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.519 2.423 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.249 2.220 7.229 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.942 0.797 4.919 1.00 0.00 N ATOM 1213 CA PHE A 76 -6.129 -0.103 4.842 1.00 0.00 C ATOM 1214 C PHE A 76 -6.080 -0.916 3.545 1.00 0.00 C ATOM 1215 O PHE A 76 -6.352 -2.100 3.530 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.407 0.740 4.861 1.00 0.00 C ATOM 1217 CG PHE A 76 -8.179 0.462 6.128 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -7.769 1.033 7.339 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.306 -0.368 6.092 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -8.486 0.776 8.513 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -10.023 -0.625 7.267 1.00 0.00 C ATOM 1222 CZ PHE A 76 -9.613 -0.053 8.478 1.00 0.00 C ATOM 0 H PHE A 76 -5.112 1.761 4.633 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.121 -0.782 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.157 1.799 4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.021 0.508 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.899 1.672 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.622 -0.810 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.170 1.218 9.446 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.893 -1.265 7.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.166 -0.252 9.384 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.749 -0.282 2.454 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.695 -1.003 1.148 1.00 0.00 C ATOM 1234 C VAL A 77 -4.486 -1.939 1.107 1.00 0.00 C ATOM 1235 O VAL A 77 -4.469 -2.910 0.377 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.572 0.019 0.020 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.570 -0.703 -1.329 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.755 0.988 0.081 1.00 0.00 C ATOM 0 H VAL A 77 -5.512 0.709 2.409 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.605 -1.592 1.029 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.641 0.574 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.482 0.028 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.727 -1.392 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.500 -1.260 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.669 1.718 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.686 0.433 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.754 1.504 1.041 1.00 0.00 H new ATOM 1248 N SER A 78 -3.467 -1.647 1.863 1.00 0.00 N ATOM 1249 CA SER A 78 -2.258 -2.518 1.838 1.00 0.00 C ATOM 1250 C SER A 78 -2.504 -3.811 2.622 1.00 0.00 C ATOM 1251 O SER A 78 -2.278 -4.894 2.121 1.00 0.00 O ATOM 1252 CB SER A 78 -1.076 -1.766 2.453 1.00 0.00 C ATOM 1253 OG SER A 78 -1.424 -1.330 3.761 1.00 0.00 O ATOM 0 H SER A 78 -3.417 -0.848 2.495 1.00 0.00 H new ATOM 0 HA SER A 78 -2.036 -2.776 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.200 -2.414 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.811 -0.911 1.831 1.00 0.00 H new ATOM 0 HG SER A 78 -0.625 -0.993 4.217 1.00 0.00 H new ATOM 1259 N MET A 79 -2.945 -3.717 3.847 1.00 0.00 N ATOM 1260 CA MET A 79 -3.177 -4.954 4.646 1.00 0.00 C ATOM 1261 C MET A 79 -4.178 -5.865 3.934 1.00 0.00 C ATOM 1262 O MET A 79 -4.003 -7.066 3.881 1.00 0.00 O ATOM 1263 CB MET A 79 -3.707 -4.592 6.036 1.00 0.00 C ATOM 1264 CG MET A 79 -4.826 -3.559 5.919 1.00 0.00 C ATOM 1265 SD MET A 79 -5.380 -3.091 7.576 1.00 0.00 S ATOM 1266 CE MET A 79 -3.792 -2.465 8.178 1.00 0.00 C ATOM 0 H MET A 79 -3.154 -2.842 4.327 1.00 0.00 H new ATOM 0 HA MET A 79 -2.229 -5.482 4.751 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.078 -5.486 6.536 1.00 0.00 H new ATOM 0 HB3 MET A 79 -2.898 -4.196 6.650 1.00 0.00 H new ATOM 0 HG2 MET A 79 -4.471 -2.681 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.658 -3.970 5.347 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.379 -3.162 8.907 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.101 -2.362 7.342 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.939 -1.493 8.649 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.227 -5.315 3.391 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.228 -6.165 2.695 1.00 0.00 C ATOM 1278 C VAL A 80 -5.598 -6.811 1.457 1.00 0.00 C ATOM 1279 O VAL A 80 -5.823 -7.970 1.171 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.419 -5.308 2.278 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.245 -4.945 3.514 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -6.923 -4.029 1.599 1.00 0.00 C ATOM 0 H VAL A 80 -5.433 -4.316 3.399 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.563 -6.951 3.372 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.039 -5.869 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.096 -4.333 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.604 -5.856 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.624 -4.387 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.777 -3.420 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.300 -3.466 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.339 -4.289 0.716 1.00 0.00 H new ATOM 1292 N THR A 81 -4.813 -6.077 0.718 1.00 0.00 N ATOM 1293 CA THR A 81 -4.180 -6.665 -0.496 1.00 0.00 C ATOM 1294 C THR A 81 -3.115 -7.678 -0.074 1.00 0.00 C ATOM 1295 O THR A 81 -2.633 -8.456 -0.873 1.00 0.00 O ATOM 1296 CB THR A 81 -3.530 -5.556 -1.325 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.409 -4.442 -1.390 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.248 -6.069 -2.739 1.00 0.00 C ATOM 0 H THR A 81 -4.583 -5.100 0.901 1.00 0.00 H new ATOM 0 HA THR A 81 -4.941 -7.165 -1.096 1.00 0.00 H new ATOM 0 HB THR A 81 -2.592 -5.255 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.988 -3.668 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.785 -5.277 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.574 -6.925 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.184 -6.371 -3.210 1.00 0.00 H new ATOM 1306 N THR A 82 -2.744 -7.677 1.178 1.00 0.00 N ATOM 1307 CA THR A 82 -1.709 -8.644 1.647 1.00 0.00 C ATOM 1308 C THR A 82 -2.387 -9.821 2.349 1.00 0.00 C ATOM 1309 O THR A 82 -1.734 -10.724 2.833 1.00 0.00 O ATOM 1310 CB THR A 82 -0.763 -7.951 2.630 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.385 -6.779 3.138 1.00 0.00 O ATOM 1312 CG2 THR A 82 0.539 -7.579 1.918 1.00 0.00 C ATOM 0 H THR A 82 -3.111 -7.051 1.895 1.00 0.00 H new ATOM 0 HA THR A 82 -1.143 -9.005 0.788 1.00 0.00 H new ATOM 0 HB THR A 82 -0.538 -8.627 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.420 -6.096 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.210 -7.086 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.015 -8.482 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.321 -6.904 1.090 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.690 -9.823 2.409 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.400 -10.944 3.080 1.00 0.00 C ATOM 1322 C ALA A 83 -4.944 -11.900 2.020 1.00 0.00 C ATOM 1323 O ALA A 83 -5.909 -12.603 2.239 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.560 -10.392 3.909 1.00 0.00 C ATOM 0 H ALA A 83 -4.292 -9.096 2.022 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.708 -11.475 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.080 -11.214 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.174 -9.705 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.254 -9.863 3.256 1.00 0.00 H new ATOM 1330 N CYS A 84 -4.332 -11.929 0.867 1.00 0.00 N ATOM 1331 CA CYS A 84 -4.815 -12.837 -0.209 1.00 0.00 C ATOM 1332 C CYS A 84 -4.743 -14.284 0.277 1.00 0.00 C ATOM 1333 O CYS A 84 -3.764 -14.705 0.860 1.00 0.00 O ATOM 1334 CB CYS A 84 -3.938 -12.670 -1.453 1.00 0.00 C ATOM 1335 SG CYS A 84 -2.206 -12.954 -1.014 1.00 0.00 S ATOM 0 H CYS A 84 -3.519 -11.363 0.625 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.846 -12.588 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.248 -13.373 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.060 -11.668 -1.865 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.980 -14.232 -0.946 1.00 0.00 H new ATOM 1341 N HIS A 85 -5.782 -15.041 0.048 1.00 0.00 N ATOM 1342 CA HIS A 85 -5.791 -16.465 0.501 1.00 0.00 C ATOM 1343 C HIS A 85 -4.413 -17.093 0.275 1.00 0.00 C ATOM 1344 O HIS A 85 -3.563 -17.073 1.143 1.00 0.00 O ATOM 1345 CB HIS A 85 -6.849 -17.276 -0.269 1.00 0.00 C ATOM 1346 CG HIS A 85 -7.309 -16.537 -1.501 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -6.758 -16.762 -2.754 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -8.275 -15.577 -1.685 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -7.389 -15.957 -3.626 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -8.324 -15.213 -3.028 1.00 0.00 N ATOM 0 H HIS A 85 -6.627 -14.735 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.035 -16.483 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.434 -18.242 -0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -7.702 -17.475 0.379 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -6.010 -17.419 -2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.901 -15.167 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.167 -15.916 -4.682 1.00 0.00 H new ATOM 1358 N GLU A 86 -4.186 -17.656 -0.878 1.00 0.00 N ATOM 1359 CA GLU A 86 -2.866 -18.290 -1.150 1.00 0.00 C ATOM 1360 C GLU A 86 -1.775 -17.220 -1.204 1.00 0.00 C ATOM 1361 O GLU A 86 -2.025 -16.049 -1.002 1.00 0.00 O ATOM 1362 CB GLU A 86 -2.919 -19.027 -2.490 1.00 0.00 C ATOM 1363 CG GLU A 86 -3.655 -20.356 -2.314 1.00 0.00 C ATOM 1364 CD GLU A 86 -3.992 -20.940 -3.687 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -4.295 -20.167 -4.580 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -3.939 -22.151 -3.823 1.00 0.00 O ATOM 0 H GLU A 86 -4.857 -17.705 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.639 -18.996 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.427 -18.414 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.909 -19.205 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.036 -21.055 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.568 -20.205 -1.738 1.00 0.00 H new ATOM 1373 N PHE A 87 -0.563 -17.620 -1.476 1.00 0.00 N ATOM 1374 CA PHE A 87 0.555 -16.642 -1.548 1.00 0.00 C ATOM 1375 C PHE A 87 1.068 -16.576 -2.988 1.00 0.00 C ATOM 1376 O PHE A 87 1.732 -17.478 -3.460 1.00 0.00 O ATOM 1377 CB PHE A 87 1.683 -17.100 -0.622 1.00 0.00 C ATOM 1378 CG PHE A 87 2.656 -15.967 -0.400 1.00 0.00 C ATOM 1379 CD1 PHE A 87 2.195 -14.720 0.039 1.00 0.00 C ATOM 1380 CD2 PHE A 87 4.021 -16.166 -0.633 1.00 0.00 C ATOM 1381 CE1 PHE A 87 3.100 -13.673 0.246 1.00 0.00 C ATOM 1382 CE2 PHE A 87 4.926 -15.119 -0.427 1.00 0.00 C ATOM 1383 CZ PHE A 87 4.466 -13.873 0.013 1.00 0.00 C ATOM 0 H PHE A 87 -0.299 -18.589 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 87 0.209 -15.656 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.271 -17.430 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.200 -17.955 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.141 -14.566 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.376 -17.128 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.745 -12.711 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.980 -15.273 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.165 -13.065 0.173 1.00 0.00 H new ATOM 1393 N PHE A 88 0.758 -15.526 -3.695 1.00 0.00 N ATOM 1394 CA PHE A 88 1.225 -15.421 -5.106 1.00 0.00 C ATOM 1395 C PHE A 88 0.794 -16.675 -5.872 1.00 0.00 C ATOM 1396 O PHE A 88 1.609 -17.496 -6.246 1.00 0.00 O ATOM 1397 CB PHE A 88 2.751 -15.311 -5.136 1.00 0.00 C ATOM 1398 CG PHE A 88 3.173 -13.944 -4.648 1.00 0.00 C ATOM 1399 CD1 PHE A 88 2.949 -13.573 -3.317 1.00 0.00 C ATOM 1400 CD2 PHE A 88 3.791 -13.049 -5.530 1.00 0.00 C ATOM 1401 CE1 PHE A 88 3.341 -12.307 -2.867 1.00 0.00 C ATOM 1402 CE2 PHE A 88 4.184 -11.784 -5.079 1.00 0.00 C ATOM 1403 CZ PHE A 88 3.959 -11.413 -3.749 1.00 0.00 C ATOM 0 H PHE A 88 0.204 -14.738 -3.359 1.00 0.00 H new ATOM 0 HA PHE A 88 0.789 -14.536 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.193 -16.084 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.117 -15.475 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.473 -14.264 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.964 -13.335 -6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.167 -12.020 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.661 -11.093 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.262 -10.436 -3.403 1.00 0.00 H new ATOM 1413 N GLU A 89 -0.482 -16.837 -6.105 1.00 0.00 N ATOM 1414 CA GLU A 89 -0.954 -18.046 -6.841 1.00 0.00 C ATOM 1415 C GLU A 89 -2.261 -17.734 -7.572 1.00 0.00 C ATOM 1416 O GLU A 89 -2.361 -17.873 -8.774 1.00 0.00 O ATOM 1417 CB GLU A 89 -1.188 -19.185 -5.846 1.00 0.00 C ATOM 1418 CG GLU A 89 -0.230 -20.337 -6.152 1.00 0.00 C ATOM 1419 CD GLU A 89 0.063 -21.114 -4.867 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -0.381 -20.674 -3.818 1.00 0.00 O ATOM 1421 OE2 GLU A 89 0.725 -22.134 -4.953 1.00 0.00 O ATOM 0 H GLU A 89 -1.215 -16.187 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.198 -18.341 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.032 -18.830 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.220 -19.530 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.668 -21.000 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.697 -19.950 -6.575 1.00 0.00 H new ATOM 1428 N HIS A 90 -3.265 -17.318 -6.852 1.00 0.00 N ATOM 1429 CA HIS A 90 -4.572 -17.001 -7.499 1.00 0.00 C ATOM 1430 C HIS A 90 -5.136 -18.263 -8.159 1.00 0.00 C ATOM 1431 O HIS A 90 -6.056 -18.204 -8.949 1.00 0.00 O ATOM 1432 CB HIS A 90 -4.368 -15.919 -8.561 1.00 0.00 C ATOM 1433 CG HIS A 90 -5.653 -15.704 -9.313 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -5.745 -15.895 -10.684 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -6.906 -15.320 -8.904 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -7.013 -15.630 -11.046 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -7.763 -15.275 -10.001 1.00 0.00 N ATOM 0 H HIS A 90 -3.238 -17.183 -5.841 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.272 -16.642 -6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.050 -14.989 -8.091 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.577 -16.215 -9.250 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.185 -15.088 -7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -7.380 -15.696 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.752 -15.024 -10.005 1.00 0.00 H new ATOM 1445 N GLU A 91 -4.595 -19.406 -7.840 1.00 0.00 N ATOM 1446 CA GLU A 91 -5.105 -20.668 -8.448 1.00 0.00 C ATOM 1447 C GLU A 91 -4.677 -21.858 -7.589 1.00 0.00 C ATOM 1448 O GLU A 91 -3.484 -22.092 -7.488 1.00 0.00 O ATOM 1449 CB GLU A 91 -4.533 -20.825 -9.859 1.00 0.00 C ATOM 1450 CG GLU A 91 -5.669 -20.757 -10.880 1.00 0.00 C ATOM 1451 CD GLU A 91 -5.143 -20.170 -12.189 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -3.935 -20.095 -12.339 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -5.957 -19.803 -13.020 1.00 0.00 O ATOM 1454 OXT GLU A 91 -5.548 -22.516 -7.046 1.00 0.00 O ATOM 0 H GLU A 91 -3.822 -19.521 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.193 -20.630 -8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.804 -20.039 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.008 -21.776 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.076 -21.753 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.483 -20.143 -10.494 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -9.384 -4.369 -14.037 1.00 0.00 N ATOM 1463 CA MET B 0 -8.920 -3.272 -14.932 1.00 0.00 C ATOM 1464 C MET B 0 -9.231 -1.918 -14.288 1.00 0.00 C ATOM 1465 O MET B 0 -9.577 -0.968 -14.960 1.00 0.00 O ATOM 1466 CB MET B 0 -9.640 -3.372 -16.278 1.00 0.00 C ATOM 1467 CG MET B 0 -8.812 -2.665 -17.353 1.00 0.00 C ATOM 1468 SD MET B 0 -9.227 -3.343 -18.979 1.00 0.00 S ATOM 1469 CE MET B 0 -10.985 -2.917 -18.959 1.00 0.00 C ATOM 0 H1 MET B 0 -9.187 -5.288 -14.483 1.00 0.00 H new ATOM 0 H2 MET B 0 -8.882 -4.311 -13.128 1.00 0.00 H new ATOM 0 H3 MET B 0 -10.407 -4.275 -13.874 1.00 0.00 H new ATOM 0 HA MET B 0 -7.845 -3.362 -15.086 1.00 0.00 H new ATOM 0 HB2 MET B 0 -9.788 -4.418 -16.547 1.00 0.00 H new ATOM 0 HB3 MET B 0 -10.629 -2.918 -16.208 1.00 0.00 H new ATOM 0 HG2 MET B 0 -9.010 -1.593 -17.333 1.00 0.00 H new ATOM 0 HG3 MET B 0 -7.749 -2.797 -17.153 1.00 0.00 H new ATOM 0 HE1 MET B 0 -11.366 -2.897 -19.980 1.00 0.00 H new ATOM 0 HE2 MET B 0 -11.533 -3.661 -18.382 1.00 0.00 H new ATOM 0 HE3 MET B 0 -11.116 -1.936 -18.503 1.00 0.00 H new ATOM 1481 N SER B 1 -9.107 -1.821 -12.993 1.00 0.00 N ATOM 1482 CA SER B 1 -9.394 -0.523 -12.315 1.00 0.00 C ATOM 1483 C SER B 1 -8.077 0.135 -11.898 1.00 0.00 C ATOM 1484 O SER B 1 -7.007 -0.323 -12.245 1.00 0.00 O ATOM 1485 CB SER B 1 -10.253 -0.773 -11.075 1.00 0.00 C ATOM 1486 OG SER B 1 -9.446 -1.336 -10.051 1.00 0.00 O ATOM 0 H SER B 1 -8.820 -2.581 -12.376 1.00 0.00 H new ATOM 0 HA SER B 1 -9.929 0.134 -13.000 1.00 0.00 H new ATOM 0 HB2 SER B 1 -10.697 0.161 -10.732 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.075 -1.446 -11.318 1.00 0.00 H new ATOM 0 HG SER B 1 -10.018 -1.784 -9.393 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.146 1.209 -11.157 1.00 0.00 N ATOM 1493 CA GLU B 2 -6.896 1.895 -10.720 1.00 0.00 C ATOM 1494 C GLU B 2 -6.301 1.164 -9.515 1.00 0.00 C ATOM 1495 O GLU B 2 -5.109 0.943 -9.436 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.219 3.338 -10.331 1.00 0.00 C ATOM 1497 CG GLU B 2 -8.070 3.983 -11.425 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.335 3.892 -12.764 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.220 4.382 -12.839 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.898 3.333 -13.690 1.00 0.00 O ATOM 0 H GLU B 2 -9.013 1.640 -10.836 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.175 1.889 -11.538 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.753 3.359 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.297 3.903 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.035 3.481 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.270 5.026 -11.178 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.124 0.789 -8.573 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.612 0.076 -7.368 1.00 0.00 C ATOM 1509 C LEU B 3 -6.157 -1.328 -7.758 1.00 0.00 C ATOM 1510 O LEU B 3 -5.226 -1.869 -7.200 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.729 -0.033 -6.331 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.137 0.098 -4.927 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.830 1.565 -4.635 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.141 -0.424 -3.900 1.00 0.00 C ATOM 0 H LEU B 3 -8.132 0.946 -8.586 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.772 0.631 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.472 0.747 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.242 -0.989 -6.433 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.217 -0.484 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.408 1.656 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.113 1.939 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.749 2.148 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.719 -0.331 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.061 0.158 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.360 -1.472 -4.105 1.00 0.00 H new ATOM 1526 N GLU B 4 -6.819 -1.927 -8.701 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.438 -3.306 -9.121 1.00 0.00 C ATOM 1528 C GLU B 4 -5.093 -3.281 -9.854 1.00 0.00 C ATOM 1529 O GLU B 4 -4.129 -3.880 -9.423 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.508 -3.858 -10.062 1.00 0.00 C ATOM 1531 CG GLU B 4 -8.159 -5.091 -9.438 1.00 0.00 C ATOM 1532 CD GLU B 4 -9.339 -5.530 -10.306 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -9.583 -4.881 -11.310 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -9.979 -6.506 -9.952 1.00 0.00 O ATOM 0 H GLU B 4 -7.610 -1.524 -9.203 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.353 -3.937 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.263 -3.096 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.062 -4.117 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -7.432 -5.899 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.500 -4.865 -8.427 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.027 -2.607 -10.966 1.00 0.00 N ATOM 1542 CA LYS B 5 -3.753 -2.559 -11.737 1.00 0.00 C ATOM 1543 C LYS B 5 -2.640 -1.969 -10.857 1.00 0.00 C ATOM 1544 O LYS B 5 -1.491 -2.348 -10.967 1.00 0.00 O ATOM 1545 CB LYS B 5 -3.982 -1.725 -13.021 1.00 0.00 C ATOM 1546 CG LYS B 5 -2.919 -0.630 -13.205 1.00 0.00 C ATOM 1547 CD LYS B 5 -3.389 0.652 -12.516 1.00 0.00 C ATOM 1548 CE LYS B 5 -2.412 1.787 -12.821 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.028 3.085 -12.428 1.00 0.00 N ATOM 0 H LYS B 5 -5.802 -2.086 -11.376 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.439 -3.561 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.972 -2.386 -13.887 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.970 -1.266 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -1.968 -0.956 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.750 -0.445 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.388 0.917 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.455 0.495 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.479 1.635 -12.278 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.166 1.795 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.285 3.805 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.702 3.385 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.528 2.972 -11.523 1.00 0.00 H new ATOM 1563 N ALA B 6 -2.963 -1.046 -9.994 1.00 0.00 N ATOM 1564 CA ALA B 6 -1.914 -0.440 -9.124 1.00 0.00 C ATOM 1565 C ALA B 6 -1.620 -1.359 -7.934 1.00 0.00 C ATOM 1566 O ALA B 6 -0.573 -1.967 -7.850 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.403 0.916 -8.609 1.00 0.00 C ATOM 0 H ALA B 6 -3.906 -0.685 -9.853 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.002 -0.308 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.638 1.361 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.601 1.576 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.318 0.778 -8.033 1.00 0.00 H new ATOM 1573 N MET B 7 -2.539 -1.455 -7.013 1.00 0.00 N ATOM 1574 CA MET B 7 -2.324 -2.322 -5.821 1.00 0.00 C ATOM 1575 C MET B 7 -1.810 -3.689 -6.267 1.00 0.00 C ATOM 1576 O MET B 7 -0.778 -4.161 -5.824 1.00 0.00 O ATOM 1577 CB MET B 7 -3.655 -2.501 -5.086 1.00 0.00 C ATOM 1578 CG MET B 7 -3.426 -3.286 -3.794 1.00 0.00 C ATOM 1579 SD MET B 7 -2.970 -2.144 -2.466 1.00 0.00 S ATOM 1580 CE MET B 7 -1.203 -2.527 -2.441 1.00 0.00 C ATOM 0 H MET B 7 -3.435 -0.967 -7.035 1.00 0.00 H new ATOM 0 HA MET B 7 -1.593 -1.857 -5.160 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.091 -1.528 -4.860 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.366 -3.028 -5.723 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.329 -3.833 -3.523 1.00 0.00 H new ATOM 0 HG3 MET B 7 -2.638 -4.025 -3.940 1.00 0.00 H new ATOM 0 HE1 MET B 7 -0.991 -3.214 -1.621 1.00 0.00 H new ATOM 0 HE2 MET B 7 -0.918 -2.990 -3.385 1.00 0.00 H new ATOM 0 HE3 MET B 7 -0.633 -1.608 -2.301 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.529 -4.328 -7.141 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.095 -5.669 -7.618 1.00 0.00 C ATOM 1592 C VAL B 8 -0.725 -5.550 -8.286 1.00 0.00 C ATOM 1593 O VAL B 8 0.100 -6.437 -8.192 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.114 -6.217 -8.617 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.856 -7.707 -8.835 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.527 -6.028 -8.060 1.00 0.00 C ATOM 0 H VAL B 8 -3.398 -3.982 -7.547 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.027 -6.352 -6.771 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.019 -5.684 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.581 -8.101 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.849 -7.848 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.954 -8.236 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.254 -6.419 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.620 -6.564 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.714 -4.967 -7.895 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.466 -4.455 -8.947 1.00 0.00 N ATOM 1607 CA ALA B 9 0.861 -4.283 -9.603 1.00 0.00 C ATOM 1608 C ALA B 9 1.946 -4.354 -8.533 1.00 0.00 C ATOM 1609 O ALA B 9 3.028 -4.856 -8.762 1.00 0.00 O ATOM 1610 CB ALA B 9 0.915 -2.922 -10.299 1.00 0.00 C ATOM 0 H ALA B 9 -1.113 -3.675 -9.061 1.00 0.00 H new ATOM 0 HA ALA B 9 1.016 -5.068 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.886 -2.797 -10.779 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.129 -2.867 -11.052 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.769 -2.131 -9.563 1.00 0.00 H new ATOM 1616 N LEU B 10 1.660 -3.862 -7.358 1.00 0.00 N ATOM 1617 CA LEU B 10 2.669 -3.912 -6.268 1.00 0.00 C ATOM 1618 C LEU B 10 3.075 -5.366 -6.040 1.00 0.00 C ATOM 1619 O LEU B 10 4.235 -5.677 -5.854 1.00 0.00 O ATOM 1620 CB LEU B 10 2.067 -3.339 -4.984 1.00 0.00 C ATOM 1621 CG LEU B 10 2.835 -2.082 -4.580 1.00 0.00 C ATOM 1622 CD1 LEU B 10 1.976 -1.235 -3.638 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.127 -2.486 -3.869 1.00 0.00 C ATOM 0 H LEU B 10 0.771 -3.428 -7.108 1.00 0.00 H new ATOM 0 HA LEU B 10 3.543 -3.322 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.014 -3.102 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.114 -4.079 -4.185 1.00 0.00 H new ATOM 0 HG LEU B 10 3.074 -1.500 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.526 -0.339 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.054 -0.949 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.735 -1.814 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.678 -1.591 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.886 -3.068 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.739 -3.087 -4.541 1.00 0.00 H new ATOM 1635 N ILE B 11 2.127 -6.263 -6.064 1.00 0.00 N ATOM 1636 CA ILE B 11 2.463 -7.700 -5.861 1.00 0.00 C ATOM 1637 C ILE B 11 3.458 -8.131 -6.942 1.00 0.00 C ATOM 1638 O ILE B 11 4.340 -8.936 -6.709 1.00 0.00 O ATOM 1639 CB ILE B 11 1.188 -8.544 -5.965 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.382 -8.417 -4.670 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.555 -10.014 -6.187 1.00 0.00 C ATOM 1642 CD1 ILE B 11 0.188 -6.939 -4.327 1.00 0.00 C ATOM 0 H ILE B 11 1.138 -6.064 -6.215 1.00 0.00 H new ATOM 0 HA ILE B 11 2.905 -7.844 -4.875 1.00 0.00 H new ATOM 0 HB ILE B 11 0.592 -8.187 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.586 -8.904 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.900 -8.924 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.645 -10.609 -6.260 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.127 -10.111 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.155 -10.370 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.386 -6.852 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.161 -6.465 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.349 -6.445 -5.137 1.00 0.00 H new ATOM 1654 N ASP B 12 3.321 -7.598 -8.123 1.00 0.00 N ATOM 1655 CA ASP B 12 4.251 -7.965 -9.228 1.00 0.00 C ATOM 1656 C ASP B 12 5.674 -7.550 -8.855 1.00 0.00 C ATOM 1657 O ASP B 12 6.597 -8.338 -8.910 1.00 0.00 O ATOM 1658 CB ASP B 12 3.825 -7.239 -10.505 1.00 0.00 C ATOM 1659 CG ASP B 12 4.446 -7.930 -11.721 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.631 -8.216 -11.675 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.726 -8.161 -12.678 1.00 0.00 O ATOM 0 H ASP B 12 2.601 -6.920 -8.373 1.00 0.00 H new ATOM 0 HA ASP B 12 4.220 -9.042 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.738 -7.239 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.142 -6.197 -10.465 1.00 0.00 H new ATOM 1666 N VAL B 13 5.857 -6.317 -8.475 1.00 0.00 N ATOM 1667 CA VAL B 13 7.219 -5.846 -8.098 1.00 0.00 C ATOM 1668 C VAL B 13 7.900 -6.899 -7.223 1.00 0.00 C ATOM 1669 O VAL B 13 9.091 -7.119 -7.314 1.00 0.00 O ATOM 1670 CB VAL B 13 7.108 -4.533 -7.321 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.463 -4.188 -6.706 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.684 -3.412 -8.270 1.00 0.00 C ATOM 0 H VAL B 13 5.121 -5.614 -8.409 1.00 0.00 H new ATOM 0 HA VAL B 13 7.810 -5.686 -9.000 1.00 0.00 H new ATOM 0 HB VAL B 13 6.365 -4.643 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.384 -3.252 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.769 -4.985 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.205 -4.080 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.605 -2.477 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.427 -3.304 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.717 -3.655 -8.711 1.00 0.00 H new ATOM 1682 N PHE B 14 7.155 -7.549 -6.372 1.00 0.00 N ATOM 1683 CA PHE B 14 7.762 -8.585 -5.491 1.00 0.00 C ATOM 1684 C PHE B 14 8.328 -9.719 -6.348 1.00 0.00 C ATOM 1685 O PHE B 14 9.444 -10.159 -6.155 1.00 0.00 O ATOM 1686 CB PHE B 14 6.693 -9.142 -4.546 1.00 0.00 C ATOM 1687 CG PHE B 14 7.341 -9.663 -3.282 1.00 0.00 C ATOM 1688 CD1 PHE B 14 8.721 -9.903 -3.240 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.556 -9.906 -2.149 1.00 0.00 C ATOM 1690 CE1 PHE B 14 9.311 -10.386 -2.067 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.148 -10.388 -0.976 1.00 0.00 C ATOM 1692 CZ PHE B 14 8.525 -10.628 -0.935 1.00 0.00 C ATOM 0 H PHE B 14 6.152 -7.407 -6.249 1.00 0.00 H new ATOM 0 HA PHE B 14 8.566 -8.138 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.971 -8.363 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.142 -9.943 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.329 -9.715 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.492 -9.721 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.374 -10.572 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.541 -10.575 -0.102 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.982 -11.000 -0.030 1.00 0.00 H new ATOM 1702 N HIS B 15 7.568 -10.199 -7.295 1.00 0.00 N ATOM 1703 CA HIS B 15 8.067 -11.305 -8.161 1.00 0.00 C ATOM 1704 C HIS B 15 9.123 -10.765 -9.131 1.00 0.00 C ATOM 1705 O HIS B 15 9.696 -11.501 -9.910 1.00 0.00 O ATOM 1706 CB HIS B 15 6.900 -11.898 -8.954 1.00 0.00 C ATOM 1707 CG HIS B 15 6.906 -13.395 -8.809 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.555 -14.241 -9.850 1.00 0.00 N ATOM 1709 CD2 HIS B 15 7.216 -14.212 -7.751 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.663 -15.504 -9.400 1.00 0.00 C ATOM 1711 NE2 HIS B 15 7.063 -15.542 -8.126 1.00 0.00 N ATOM 0 H HIS B 15 6.625 -9.874 -7.506 1.00 0.00 H new ATOM 0 HA HIS B 15 8.514 -12.079 -7.537 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.956 -11.491 -8.592 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.984 -11.623 -10.005 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.531 -13.873 -6.775 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.452 -16.380 -9.996 1.00 0.00 H new ATOM 0 HE2 HIS B 15 7.222 -16.370 -7.551 1.00 0.00 H new ATOM 1719 N GLN B 16 9.385 -9.486 -9.091 1.00 0.00 N ATOM 1720 CA GLN B 16 10.402 -8.906 -10.013 1.00 0.00 C ATOM 1721 C GLN B 16 11.768 -8.881 -9.321 1.00 0.00 C ATOM 1722 O GLN B 16 12.775 -9.236 -9.901 1.00 0.00 O ATOM 1723 CB GLN B 16 9.995 -7.478 -10.384 1.00 0.00 C ATOM 1724 CG GLN B 16 10.069 -7.303 -11.902 1.00 0.00 C ATOM 1725 CD GLN B 16 8.660 -7.363 -12.492 1.00 0.00 C ATOM 1726 OE1 GLN B 16 8.330 -8.284 -13.212 1.00 0.00 O ATOM 1727 NE2 GLN B 16 7.809 -6.414 -12.215 1.00 0.00 N ATOM 0 H GLN B 16 8.939 -8.819 -8.461 1.00 0.00 H new ATOM 0 HA GLN B 16 10.463 -9.516 -10.914 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.983 -7.274 -10.033 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.653 -6.762 -9.892 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.537 -6.349 -12.146 1.00 0.00 H new ATOM 0 HG3 GLN B 16 10.691 -8.084 -12.339 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.086 -5.641 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.866 -6.445 -12.603 1.00 0.00 H new ATOM 1736 N TYR B 17 11.810 -8.460 -8.086 1.00 0.00 N ATOM 1737 CA TYR B 17 13.110 -8.410 -7.360 1.00 0.00 C ATOM 1738 C TYR B 17 13.376 -9.758 -6.685 1.00 0.00 C ATOM 1739 O TYR B 17 14.384 -10.392 -6.923 1.00 0.00 O ATOM 1740 CB TYR B 17 13.055 -7.310 -6.295 1.00 0.00 C ATOM 1741 CG TYR B 17 12.971 -5.958 -6.962 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.722 -5.409 -7.280 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.141 -5.250 -7.261 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.644 -4.155 -7.896 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.063 -3.996 -7.877 1.00 0.00 C ATOM 1746 CZ TYR B 17 12.815 -3.449 -8.194 1.00 0.00 C ATOM 1747 OH TYR B 17 12.739 -2.212 -8.801 1.00 0.00 O ATOM 0 H TYR B 17 11.000 -8.149 -7.549 1.00 0.00 H new ATOM 0 HA TYR B 17 13.911 -8.196 -8.067 1.00 0.00 H new ATOM 0 HB2 TYR B 17 12.191 -7.461 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.941 -7.359 -5.662 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.819 -5.954 -7.050 1.00 0.00 H new ATOM 0 HD2 TYR B 17 15.105 -5.672 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR B 17 10.681 -3.732 -8.141 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.966 -3.450 -8.108 1.00 0.00 H new ATOM 0 HH TYR B 17 13.485 -1.653 -8.498 1.00 0.00 H new ATOM 1757 N SER B 18 12.481 -10.197 -5.843 1.00 0.00 N ATOM 1758 CA SER B 18 12.685 -11.501 -5.149 1.00 0.00 C ATOM 1759 C SER B 18 12.694 -12.638 -6.174 1.00 0.00 C ATOM 1760 O SER B 18 13.275 -13.680 -5.952 1.00 0.00 O ATOM 1761 CB SER B 18 11.549 -11.728 -4.150 1.00 0.00 C ATOM 1762 OG SER B 18 11.957 -12.689 -3.186 1.00 0.00 O ATOM 0 H SER B 18 11.617 -9.709 -5.605 1.00 0.00 H new ATOM 0 HA SER B 18 13.639 -11.483 -4.623 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.289 -10.791 -3.658 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.656 -12.074 -4.670 1.00 0.00 H new ATOM 0 HG SER B 18 12.200 -12.234 -2.353 1.00 0.00 H new ATOM 1768 N GLY B 19 12.051 -12.448 -7.294 1.00 0.00 N ATOM 1769 CA GLY B 19 12.025 -13.523 -8.326 1.00 0.00 C ATOM 1770 C GLY B 19 13.456 -13.902 -8.710 1.00 0.00 C ATOM 1771 O GLY B 19 13.723 -15.008 -9.135 1.00 0.00 O ATOM 0 H GLY B 19 11.544 -11.597 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY B 19 11.498 -14.396 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.480 -13.183 -9.206 1.00 0.00 H new ATOM 1775 N ARG B 20 14.378 -12.992 -8.566 1.00 0.00 N ATOM 1776 CA ARG B 20 15.791 -13.304 -8.925 1.00 0.00 C ATOM 1777 C ARG B 20 16.193 -14.645 -8.312 1.00 0.00 C ATOM 1778 O ARG B 20 16.233 -15.657 -8.983 1.00 0.00 O ATOM 1779 CB ARG B 20 16.706 -12.200 -8.391 1.00 0.00 C ATOM 1780 CG ARG B 20 16.533 -10.941 -9.241 1.00 0.00 C ATOM 1781 CD ARG B 20 17.278 -9.775 -8.589 1.00 0.00 C ATOM 1782 NE ARG B 20 18.746 -9.966 -8.754 1.00 0.00 N ATOM 1783 CZ ARG B 20 19.547 -9.764 -7.744 1.00 0.00 C ATOM 1784 NH1 ARG B 20 19.614 -10.643 -6.781 1.00 0.00 N ATOM 1785 NH2 ARG B 20 20.279 -8.685 -7.693 1.00 0.00 N ATOM 0 H ARG B 20 14.216 -12.048 -8.216 1.00 0.00 H new ATOM 0 HA ARG B 20 15.886 -13.362 -10.009 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.465 -11.985 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG B 20 17.745 -12.529 -8.417 1.00 0.00 H new ATOM 0 HG2 ARG B 20 16.916 -11.114 -10.247 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.475 -10.700 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG B 20 16.970 -8.834 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG B 20 17.025 -9.715 -7.530 1.00 0.00 H new ATOM 0 HE ARG B 20 19.125 -10.255 -9.656 1.00 0.00 H new ATOM 0 HH11 ARG B 20 19.041 -11.486 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG B 20 20.240 -10.487 -5.991 1.00 0.00 H new ATOM 0 HH21 ARG B 20 20.226 -7.997 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG B 20 20.904 -8.530 -6.902 1.00 0.00 H new ATOM 1799 N GLU B 21 16.495 -14.659 -7.046 1.00 0.00 N ATOM 1800 CA GLU B 21 16.900 -15.929 -6.389 1.00 0.00 C ATOM 1801 C GLU B 21 15.818 -16.990 -6.596 1.00 0.00 C ATOM 1802 O GLU B 21 14.915 -16.825 -7.391 1.00 0.00 O ATOM 1803 CB GLU B 21 17.096 -15.677 -4.895 1.00 0.00 C ATOM 1804 CG GLU B 21 17.955 -14.428 -4.700 1.00 0.00 C ATOM 1805 CD GLU B 21 19.249 -14.807 -3.977 1.00 0.00 C ATOM 1806 OE1 GLU B 21 20.155 -15.285 -4.640 1.00 0.00 O ATOM 1807 OE2 GLU B 21 19.312 -14.611 -2.775 1.00 0.00 O ATOM 0 H GLU B 21 16.479 -13.842 -6.436 1.00 0.00 H new ATOM 0 HA GLU B 21 17.832 -16.286 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU B 21 16.130 -15.547 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU B 21 17.575 -16.538 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU B 21 18.184 -13.977 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU B 21 17.407 -13.684 -4.122 1.00 0.00 H new ATOM 1814 N GLY B 22 15.907 -18.084 -5.889 1.00 0.00 N ATOM 1815 CA GLY B 22 14.891 -19.162 -6.045 1.00 0.00 C ATOM 1816 C GLY B 22 13.744 -18.942 -5.059 1.00 0.00 C ATOM 1817 O GLY B 22 12.605 -19.257 -5.336 1.00 0.00 O ATOM 0 H GLY B 22 16.642 -18.277 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.509 -19.168 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.351 -20.135 -5.871 1.00 0.00 H new ATOM 1821 N ASP B 23 14.038 -18.413 -3.904 1.00 0.00 N ATOM 1822 CA ASP B 23 12.965 -18.178 -2.896 1.00 0.00 C ATOM 1823 C ASP B 23 11.785 -17.459 -3.556 1.00 0.00 C ATOM 1824 O ASP B 23 10.690 -17.980 -3.627 1.00 0.00 O ATOM 1825 CB ASP B 23 13.509 -17.322 -1.746 1.00 0.00 C ATOM 1826 CG ASP B 23 14.628 -16.407 -2.250 1.00 0.00 C ATOM 1827 OD1 ASP B 23 15.763 -16.853 -2.279 1.00 0.00 O ATOM 1828 OD2 ASP B 23 14.331 -15.275 -2.594 1.00 0.00 O ATOM 0 H ASP B 23 14.975 -18.133 -3.614 1.00 0.00 H new ATOM 0 HA ASP B 23 12.630 -19.138 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.705 -16.723 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.886 -17.965 -0.951 1.00 0.00 H new ATOM 1833 N LYS B 24 11.997 -16.267 -4.041 1.00 0.00 N ATOM 1834 CA LYS B 24 10.887 -15.519 -4.697 1.00 0.00 C ATOM 1835 C LYS B 24 9.706 -15.387 -3.731 1.00 0.00 C ATOM 1836 O LYS B 24 8.579 -15.198 -4.139 1.00 0.00 O ATOM 1837 CB LYS B 24 10.437 -16.276 -5.949 1.00 0.00 C ATOM 1838 CG LYS B 24 11.660 -16.634 -6.798 1.00 0.00 C ATOM 1839 CD LYS B 24 11.238 -16.807 -8.259 1.00 0.00 C ATOM 1840 CE LYS B 24 10.454 -18.111 -8.414 1.00 0.00 C ATOM 1841 NZ LYS B 24 11.255 -19.242 -7.866 1.00 0.00 N ATOM 0 H LYS B 24 12.892 -15.778 -4.012 1.00 0.00 H new ATOM 0 HA LYS B 24 11.237 -14.524 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS B 24 9.900 -17.181 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.746 -15.664 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS B 24 12.413 -15.851 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS B 24 12.115 -17.553 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.625 -15.962 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS B 24 12.117 -16.820 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.501 -18.039 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS B 24 10.227 -18.288 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 10.851 -20.143 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 12.238 -19.163 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 11.236 -19.210 -6.827 1.00 0.00 H new ATOM 1855 N HIS B 25 9.952 -15.483 -2.452 1.00 0.00 N ATOM 1856 CA HIS B 25 8.836 -15.360 -1.470 1.00 0.00 C ATOM 1857 C HIS B 25 9.322 -14.599 -0.233 1.00 0.00 C ATOM 1858 O HIS B 25 8.647 -14.535 0.775 1.00 0.00 O ATOM 1859 CB HIS B 25 8.362 -16.754 -1.059 1.00 0.00 C ATOM 1860 CG HIS B 25 7.680 -17.416 -2.225 1.00 0.00 C ATOM 1861 ND1 HIS B 25 8.116 -18.624 -2.750 1.00 0.00 N ATOM 1862 CD2 HIS B 25 6.594 -17.050 -2.982 1.00 0.00 C ATOM 1863 CE1 HIS B 25 7.302 -18.938 -3.775 1.00 0.00 C ATOM 1864 NE2 HIS B 25 6.357 -18.012 -3.959 1.00 0.00 N ATOM 0 H HIS B 25 10.874 -15.641 -2.046 1.00 0.00 H new ATOM 0 HA HIS B 25 8.010 -14.816 -1.927 1.00 0.00 H new ATOM 0 HB2 HIS B 25 9.209 -17.356 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS B 25 7.676 -16.682 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS B 25 6.012 -16.151 -2.840 1.00 0.00 H new ATOM 0 HE1 HIS B 25 7.401 -19.830 -4.376 1.00 0.00 H new ATOM 0 HE2 HIS B 25 5.620 -18.010 -4.664 1.00 0.00 H new ATOM 1872 N LYS B 26 10.488 -14.018 -0.304 1.00 0.00 N ATOM 1873 CA LYS B 26 11.019 -13.260 0.863 1.00 0.00 C ATOM 1874 C LYS B 26 11.928 -12.137 0.362 1.00 0.00 C ATOM 1875 O LYS B 26 12.809 -12.354 -0.447 1.00 0.00 O ATOM 1876 CB LYS B 26 11.816 -14.202 1.764 1.00 0.00 C ATOM 1877 CG LYS B 26 12.881 -14.922 0.936 1.00 0.00 C ATOM 1878 CD LYS B 26 14.264 -14.630 1.521 1.00 0.00 C ATOM 1879 CE LYS B 26 15.074 -15.926 1.589 1.00 0.00 C ATOM 1880 NZ LYS B 26 16.389 -15.655 2.236 1.00 0.00 N ATOM 0 H LYS B 26 11.097 -14.036 -1.122 1.00 0.00 H new ATOM 0 HA LYS B 26 10.192 -12.834 1.431 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.286 -13.639 2.570 1.00 0.00 H new ATOM 0 HB3 LYS B 26 11.149 -14.928 2.229 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.693 -15.996 0.937 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.836 -14.591 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS B 26 14.783 -13.896 0.905 1.00 0.00 H new ATOM 0 HD3 LYS B 26 14.165 -14.198 2.517 1.00 0.00 H new ATOM 0 HE2 LYS B 26 14.527 -16.680 2.154 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.225 -16.326 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 17.129 -16.213 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 16.614 -14.643 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 16.343 -15.920 3.241 1.00 0.00 H new ATOM 1894 N LEU B 27 11.720 -10.939 0.831 1.00 0.00 N ATOM 1895 CA LEU B 27 12.570 -9.803 0.378 1.00 0.00 C ATOM 1896 C LEU B 27 13.606 -9.488 1.459 1.00 0.00 C ATOM 1897 O LEU B 27 13.941 -10.327 2.269 1.00 0.00 O ATOM 1898 CB LEU B 27 11.683 -8.580 0.131 1.00 0.00 C ATOM 1899 CG LEU B 27 11.756 -8.185 -1.344 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.064 -6.836 -1.544 1.00 0.00 C ATOM 1901 CD2 LEU B 27 13.222 -8.076 -1.772 1.00 0.00 C ATOM 0 H LEU B 27 10.998 -10.697 1.509 1.00 0.00 H new ATOM 0 HA LEU B 27 13.085 -10.066 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.653 -8.803 0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.008 -7.749 0.757 1.00 0.00 H new ATOM 0 HG LEU B 27 11.257 -8.943 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.115 -6.553 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.020 -6.914 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.563 -6.078 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU B 27 13.274 -7.794 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.722 -7.319 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.715 -9.037 -1.629 1.00 0.00 H new ATOM 1913 N LYS B 28 14.123 -8.289 1.477 1.00 0.00 N ATOM 1914 CA LYS B 28 15.136 -7.930 2.510 1.00 0.00 C ATOM 1915 C LYS B 28 15.047 -6.433 2.809 1.00 0.00 C ATOM 1916 O LYS B 28 14.383 -5.692 2.114 1.00 0.00 O ATOM 1917 CB LYS B 28 16.533 -8.267 1.990 1.00 0.00 C ATOM 1918 CG LYS B 28 16.679 -9.784 1.866 1.00 0.00 C ATOM 1919 CD LYS B 28 18.158 -10.146 1.735 1.00 0.00 C ATOM 1920 CE LYS B 28 18.761 -9.400 0.544 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.037 -10.056 0.142 1.00 0.00 N ATOM 0 H LYS B 28 13.888 -7.544 0.822 1.00 0.00 H new ATOM 0 HA LYS B 28 14.944 -8.494 3.423 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.696 -7.795 1.021 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.290 -7.872 2.668 1.00 0.00 H new ATOM 0 HG2 LYS B 28 16.250 -10.274 2.740 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.128 -10.143 0.997 1.00 0.00 H new ATOM 0 HD2 LYS B 28 18.690 -9.884 2.649 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.270 -11.222 1.599 1.00 0.00 H new ATOM 0 HE2 LYS B 28 18.061 -9.400 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.943 -8.358 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.448 -9.549 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.705 -10.034 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.850 -11.043 -0.126 1.00 0.00 H new ATOM 1935 N LYS B 29 15.710 -5.978 3.838 1.00 0.00 N ATOM 1936 CA LYS B 29 15.657 -4.527 4.168 1.00 0.00 C ATOM 1937 C LYS B 29 16.582 -3.760 3.221 1.00 0.00 C ATOM 1938 O LYS B 29 16.447 -2.566 3.038 1.00 0.00 O ATOM 1939 CB LYS B 29 16.103 -4.312 5.617 1.00 0.00 C ATOM 1940 CG LYS B 29 17.472 -4.955 5.836 1.00 0.00 C ATOM 1941 CD LYS B 29 17.413 -5.892 7.045 1.00 0.00 C ATOM 1942 CE LYS B 29 16.912 -5.123 8.269 1.00 0.00 C ATOM 1943 NZ LYS B 29 16.573 -6.086 9.354 1.00 0.00 N ATOM 0 H LYS B 29 16.283 -6.546 4.461 1.00 0.00 H new ATOM 0 HA LYS B 29 14.636 -4.162 4.052 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.152 -3.246 5.838 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.373 -4.746 6.300 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.770 -5.511 4.947 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.225 -4.184 5.997 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.750 -6.732 6.835 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.401 -6.308 7.244 1.00 0.00 H new ATOM 0 HE2 LYS B 29 17.676 -4.426 8.612 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.035 -4.531 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.281 -5.563 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.795 -6.701 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 17.407 -6.667 9.575 1.00 0.00 H new ATOM 1957 N SER B 30 17.517 -4.437 2.611 1.00 0.00 N ATOM 1958 CA SER B 30 18.443 -3.748 1.669 1.00 0.00 C ATOM 1959 C SER B 30 17.740 -3.563 0.324 1.00 0.00 C ATOM 1960 O SER B 30 17.789 -2.506 -0.271 1.00 0.00 O ATOM 1961 CB SER B 30 19.703 -4.594 1.479 1.00 0.00 C ATOM 1962 OG SER B 30 20.738 -4.088 2.312 1.00 0.00 O ATOM 0 H SER B 30 17.679 -5.438 2.725 1.00 0.00 H new ATOM 0 HA SER B 30 18.723 -2.775 2.073 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.497 -5.635 1.727 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.016 -4.571 0.435 1.00 0.00 H new ATOM 0 HG SER B 30 20.818 -4.649 3.112 1.00 0.00 H new ATOM 1968 N GLU B 31 17.068 -4.577 -0.152 1.00 0.00 N ATOM 1969 CA GLU B 31 16.347 -4.444 -1.446 1.00 0.00 C ATOM 1970 C GLU B 31 15.047 -3.687 -1.189 1.00 0.00 C ATOM 1971 O GLU B 31 14.430 -3.163 -2.094 1.00 0.00 O ATOM 1972 CB GLU B 31 16.038 -5.831 -2.014 1.00 0.00 C ATOM 1973 CG GLU B 31 15.709 -5.714 -3.504 1.00 0.00 C ATOM 1974 CD GLU B 31 16.139 -6.992 -4.223 1.00 0.00 C ATOM 1975 OE1 GLU B 31 15.740 -8.058 -3.785 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.862 -6.885 -5.201 1.00 0.00 O ATOM 0 H GLU B 31 16.989 -5.488 0.299 1.00 0.00 H new ATOM 0 HA GLU B 31 16.961 -3.904 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.893 -6.492 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.198 -6.275 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.640 -5.550 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.220 -4.853 -3.934 1.00 0.00 H new ATOM 1983 N LEU B 32 14.637 -3.607 0.049 1.00 0.00 N ATOM 1984 CA LEU B 32 13.397 -2.856 0.374 1.00 0.00 C ATOM 1985 C LEU B 32 13.753 -1.373 0.415 1.00 0.00 C ATOM 1986 O LEU B 32 13.033 -0.530 -0.081 1.00 0.00 O ATOM 1987 CB LEU B 32 12.867 -3.295 1.740 1.00 0.00 C ATOM 1988 CG LEU B 32 11.783 -2.319 2.204 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.583 -2.404 1.259 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.341 -2.683 3.622 1.00 0.00 C ATOM 0 H LEU B 32 15.110 -4.031 0.847 1.00 0.00 H new ATOM 0 HA LEU B 32 12.627 -3.047 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.460 -4.304 1.677 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.680 -3.324 2.465 1.00 0.00 H new ATOM 0 HG LEU B 32 12.181 -1.304 2.197 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.810 -1.709 1.589 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.897 -2.145 0.248 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.185 -3.419 1.266 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.569 -1.988 3.952 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.943 -3.698 3.630 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.195 -2.623 4.296 1.00 0.00 H new ATOM 2002 N LYS B 33 14.885 -1.059 0.989 1.00 0.00 N ATOM 2003 CA LYS B 33 15.330 0.359 1.054 1.00 0.00 C ATOM 2004 C LYS B 33 15.392 0.913 -0.365 1.00 0.00 C ATOM 2005 O LYS B 33 14.945 2.007 -0.642 1.00 0.00 O ATOM 2006 CB LYS B 33 16.724 0.409 1.680 1.00 0.00 C ATOM 2007 CG LYS B 33 17.026 1.830 2.159 1.00 0.00 C ATOM 2008 CD LYS B 33 18.369 2.284 1.584 1.00 0.00 C ATOM 2009 CE LYS B 33 19.201 2.940 2.687 1.00 0.00 C ATOM 2010 NZ LYS B 33 20.545 3.298 2.151 1.00 0.00 N ATOM 0 H LYS B 33 15.522 -1.730 1.417 1.00 0.00 H new ATOM 0 HA LYS B 33 14.637 0.950 1.653 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.782 -0.287 2.517 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.471 0.094 0.952 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.234 2.509 1.842 1.00 0.00 H new ATOM 0 HG3 LYS B 33 17.055 1.860 3.248 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.905 1.431 1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.208 2.988 0.768 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.696 3.832 3.056 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.304 2.260 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 21.110 3.744 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 21.027 2.438 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 20.437 3.962 1.358 1.00 0.00 H new ATOM 2024 N GLU B 34 15.936 0.148 -1.266 1.00 0.00 N ATOM 2025 CA GLU B 34 16.024 0.598 -2.679 1.00 0.00 C ATOM 2026 C GLU B 34 14.620 0.568 -3.272 1.00 0.00 C ATOM 2027 O GLU B 34 14.219 1.437 -4.019 1.00 0.00 O ATOM 2028 CB GLU B 34 16.960 -0.353 -3.448 1.00 0.00 C ATOM 2029 CG GLU B 34 16.207 -1.601 -3.929 1.00 0.00 C ATOM 2030 CD GLU B 34 17.055 -2.339 -4.965 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.250 -2.096 -5.007 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.496 -3.137 -5.701 1.00 0.00 O ATOM 0 H GLU B 34 16.326 -0.776 -1.082 1.00 0.00 H new ATOM 0 HA GLU B 34 16.425 1.609 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.390 0.168 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.789 -0.650 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.992 -2.257 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.249 -1.316 -4.364 1.00 0.00 H new ATOM 2039 N LEU B 35 13.876 -0.436 -2.925 1.00 0.00 N ATOM 2040 CA LEU B 35 12.488 -0.563 -3.436 1.00 0.00 C ATOM 2041 C LEU B 35 11.755 0.768 -3.252 1.00 0.00 C ATOM 2042 O LEU B 35 11.044 1.218 -4.125 1.00 0.00 O ATOM 2043 CB LEU B 35 11.768 -1.660 -2.652 1.00 0.00 C ATOM 2044 CG LEU B 35 11.017 -2.573 -3.622 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.964 -1.760 -4.375 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.006 -3.175 -4.622 1.00 0.00 C ATOM 0 H LEU B 35 14.173 -1.186 -2.300 1.00 0.00 H new ATOM 0 HA LEU B 35 12.504 -0.820 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.487 -2.240 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.071 -1.216 -1.941 1.00 0.00 H new ATOM 0 HG LEU B 35 10.529 -3.373 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.428 -2.410 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.260 -1.329 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.452 -0.961 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.472 -3.826 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.493 -2.375 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.758 -3.754 -4.086 1.00 0.00 H new ATOM 2058 N ILE B 36 11.919 1.398 -2.120 1.00 0.00 N ATOM 2059 CA ILE B 36 11.224 2.696 -1.882 1.00 0.00 C ATOM 2060 C ILE B 36 11.990 3.836 -2.558 1.00 0.00 C ATOM 2061 O ILE B 36 11.457 4.552 -3.381 1.00 0.00 O ATOM 2062 CB ILE B 36 11.140 2.975 -0.378 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.141 1.648 0.397 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.855 3.753 -0.082 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.578 1.863 1.806 1.00 0.00 C ATOM 0 H ILE B 36 12.503 1.071 -1.351 1.00 0.00 H new ATOM 0 HA ILE B 36 10.220 2.634 -2.301 1.00 0.00 H new ATOM 0 HB ILE B 36 12.001 3.566 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.543 0.907 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.155 1.254 0.458 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.790 3.954 0.987 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.866 4.696 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.993 3.163 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.583 0.917 2.348 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.194 2.589 2.337 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.556 2.236 1.737 1.00 0.00 H new ATOM 2077 N ASN B 37 13.234 4.019 -2.204 1.00 0.00 N ATOM 2078 CA ASN B 37 14.027 5.123 -2.812 1.00 0.00 C ATOM 2079 C ASN B 37 14.290 4.823 -4.290 1.00 0.00 C ATOM 2080 O ASN B 37 13.866 5.546 -5.168 1.00 0.00 O ATOM 2081 CB ASN B 37 15.360 5.255 -2.071 1.00 0.00 C ATOM 2082 CG ASN B 37 16.052 6.555 -2.483 1.00 0.00 C ATOM 2083 OD1 ASN B 37 15.926 6.994 -3.609 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.786 7.195 -1.613 1.00 0.00 N ATOM 0 H ASN B 37 13.734 3.451 -1.520 1.00 0.00 H new ATOM 0 HA ASN B 37 13.468 6.055 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.191 5.247 -0.994 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.000 4.403 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.253 8.062 -1.879 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.893 6.828 -0.667 1.00 0.00 H new ATOM 2091 N ASN B 38 14.995 3.766 -4.571 1.00 0.00 N ATOM 2092 CA ASN B 38 15.295 3.423 -5.990 1.00 0.00 C ATOM 2093 C ASN B 38 14.043 3.602 -6.854 1.00 0.00 C ATOM 2094 O ASN B 38 14.073 4.262 -7.874 1.00 0.00 O ATOM 2095 CB ASN B 38 15.767 1.972 -6.072 1.00 0.00 C ATOM 2096 CG ASN B 38 16.466 1.739 -7.411 1.00 0.00 C ATOM 2097 OD1 ASN B 38 15.783 1.857 -8.517 1.00 0.00 O flip ATOM 2098 ND2 ASN B 38 17.646 1.451 -7.453 1.00 0.00 N flip ATOM 0 H ASN B 38 15.378 3.122 -3.879 1.00 0.00 H new ATOM 0 HA ASN B 38 16.077 4.087 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.449 1.753 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.918 1.296 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN B 38 18.180 1.359 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN B 38 18.103 1.301 -8.353 1.00 0.00 H new ATOM 2105 N GLU B 39 12.947 3.010 -6.465 1.00 0.00 N ATOM 2106 CA GLU B 39 11.703 3.138 -7.279 1.00 0.00 C ATOM 2107 C GLU B 39 11.027 4.488 -7.012 1.00 0.00 C ATOM 2108 O GLU B 39 11.141 5.412 -7.793 1.00 0.00 O ATOM 2109 CB GLU B 39 10.738 2.005 -6.920 1.00 0.00 C ATOM 2110 CG GLU B 39 11.445 0.658 -7.080 1.00 0.00 C ATOM 2111 CD GLU B 39 11.886 0.479 -8.534 1.00 0.00 C ATOM 2112 OE1 GLU B 39 11.033 0.194 -9.359 1.00 0.00 O ATOM 2113 OE2 GLU B 39 13.066 0.629 -8.796 1.00 0.00 O ATOM 0 H GLU B 39 12.858 2.444 -5.621 1.00 0.00 H new ATOM 0 HA GLU B 39 11.966 3.078 -8.335 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.388 2.124 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.859 2.045 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.310 0.609 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU B 39 10.776 -0.152 -6.790 1.00 0.00 H new ATOM 2120 N LEU B 40 10.310 4.606 -5.927 1.00 0.00 N ATOM 2121 CA LEU B 40 9.615 5.884 -5.625 1.00 0.00 C ATOM 2122 C LEU B 40 10.629 7.030 -5.542 1.00 0.00 C ATOM 2123 O LEU B 40 10.980 7.629 -6.540 1.00 0.00 O ATOM 2124 CB LEU B 40 8.873 5.739 -4.296 1.00 0.00 C ATOM 2125 CG LEU B 40 7.842 4.617 -4.418 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.962 4.586 -3.164 1.00 0.00 C ATOM 2127 CD2 LEU B 40 6.965 4.864 -5.648 1.00 0.00 C ATOM 0 H LEU B 40 10.177 3.868 -5.236 1.00 0.00 H new ATOM 0 HA LEU B 40 8.904 6.113 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.577 5.517 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.380 6.676 -4.036 1.00 0.00 H new ATOM 0 HG LEU B 40 8.358 3.662 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.228 3.785 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.585 4.410 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.446 5.540 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.229 4.065 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.452 5.820 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.589 4.884 -6.542 1.00 0.00 H new ATOM 2139 N SER B 41 11.100 7.345 -4.366 1.00 0.00 N ATOM 2140 CA SER B 41 12.085 8.455 -4.232 1.00 0.00 C ATOM 2141 C SER B 41 11.534 9.711 -4.909 1.00 0.00 C ATOM 2142 O SER B 41 12.270 10.615 -5.251 1.00 0.00 O ATOM 2143 CB SER B 41 13.399 8.056 -4.900 1.00 0.00 C ATOM 2144 OG SER B 41 14.152 9.225 -5.192 1.00 0.00 O ATOM 0 H SER B 41 10.845 6.882 -3.493 1.00 0.00 H new ATOM 0 HA SER B 41 12.260 8.657 -3.175 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.968 7.397 -4.244 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.200 7.499 -5.816 1.00 0.00 H new ATOM 0 HG SER B 41 13.662 9.777 -5.837 1.00 0.00 H new ATOM 2150 N HIS B 42 10.247 9.776 -5.105 1.00 0.00 N ATOM 2151 CA HIS B 42 9.654 10.976 -5.762 1.00 0.00 C ATOM 2152 C HIS B 42 9.140 11.941 -4.691 1.00 0.00 C ATOM 2153 O HIS B 42 9.055 13.133 -4.907 1.00 0.00 O ATOM 2154 CB HIS B 42 8.491 10.544 -6.659 1.00 0.00 C ATOM 2155 CG HIS B 42 8.441 11.426 -7.876 1.00 0.00 C ATOM 2156 ND1 HIS B 42 8.763 12.773 -7.826 1.00 0.00 N ATOM 2157 CD2 HIS B 42 8.107 11.168 -9.183 1.00 0.00 C ATOM 2158 CE1 HIS B 42 8.618 13.271 -9.067 1.00 0.00 C ATOM 2159 NE2 HIS B 42 8.220 12.335 -9.934 1.00 0.00 N ATOM 0 H HIS B 42 9.580 9.052 -4.839 1.00 0.00 H new ATOM 0 HA HIS B 42 10.414 11.473 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS B 42 8.615 9.503 -6.956 1.00 0.00 H new ATOM 0 HB3 HIS B 42 7.551 10.609 -6.111 1.00 0.00 H new ATOM 0 HD1 HIS B 42 9.057 13.292 -6.999 1.00 0.00 H new ATOM 0 HD2 HIS B 42 7.803 10.206 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS B 42 8.801 14.302 -9.331 1.00 0.00 H new ATOM 2167 N PHE B 43 8.796 11.436 -3.539 1.00 0.00 N ATOM 2168 CA PHE B 43 8.289 12.325 -2.456 1.00 0.00 C ATOM 2169 C PHE B 43 9.245 12.271 -1.262 1.00 0.00 C ATOM 2170 O PHE B 43 8.851 11.963 -0.154 1.00 0.00 O ATOM 2171 CB PHE B 43 6.899 11.855 -2.021 1.00 0.00 C ATOM 2172 CG PHE B 43 6.135 11.367 -3.229 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.040 12.174 -4.368 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.525 10.107 -3.211 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.335 11.723 -5.490 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.819 9.656 -4.334 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.724 10.464 -5.473 1.00 0.00 C ATOM 0 H PHE B 43 8.844 10.445 -3.300 1.00 0.00 H new ATOM 0 HA PHE B 43 8.227 13.349 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.987 11.056 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.360 12.672 -1.541 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.511 13.146 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.599 9.483 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE B 43 5.263 12.347 -6.369 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.348 8.684 -4.321 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.179 10.116 -6.338 1.00 0.00 H new ATOM 2187 N LEU B 44 10.498 12.566 -1.478 1.00 0.00 N ATOM 2188 CA LEU B 44 11.476 12.528 -0.353 1.00 0.00 C ATOM 2189 C LEU B 44 12.330 13.799 -0.373 1.00 0.00 C ATOM 2190 O LEU B 44 13.544 13.741 -0.395 1.00 0.00 O ATOM 2191 CB LEU B 44 12.381 11.304 -0.504 1.00 0.00 C ATOM 2192 CG LEU B 44 12.432 10.540 0.820 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.353 9.455 0.828 1.00 0.00 C ATOM 2194 CD2 LEU B 44 13.807 9.889 0.982 1.00 0.00 C ATOM 0 H LEU B 44 10.886 12.831 -2.383 1.00 0.00 H new ATOM 0 HA LEU B 44 10.937 12.468 0.593 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.005 10.656 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.384 11.614 -0.796 1.00 0.00 H new ATOM 0 HG LEU B 44 12.257 11.233 1.643 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.391 8.911 1.772 1.00 0.00 H new ATOM 0 HD12 LEU B 44 10.372 9.916 0.714 1.00 0.00 H new ATOM 0 HD13 LEU B 44 11.527 8.763 0.004 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.843 9.345 1.926 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.982 9.198 0.157 1.00 0.00 H new ATOM 0 HD23 LEU B 44 14.577 10.660 0.978 1.00 0.00 H new ATOM 2206 N GLU B 45 11.706 14.944 -0.363 1.00 0.00 N ATOM 2207 CA GLU B 45 12.483 16.216 -0.380 1.00 0.00 C ATOM 2208 C GLU B 45 12.578 16.772 1.042 1.00 0.00 C ATOM 2209 O GLU B 45 13.617 16.730 1.670 1.00 0.00 O ATOM 2210 CB GLU B 45 11.777 17.233 -1.278 1.00 0.00 C ATOM 2211 CG GLU B 45 11.572 16.629 -2.670 1.00 0.00 C ATOM 2212 CD GLU B 45 11.702 17.726 -3.727 1.00 0.00 C ATOM 2213 OE1 GLU B 45 12.818 18.152 -3.976 1.00 0.00 O ATOM 2214 OE2 GLU B 45 10.684 18.122 -4.270 1.00 0.00 O ATOM 0 H GLU B 45 10.692 15.054 -0.344 1.00 0.00 H new ATOM 0 HA GLU B 45 13.485 16.026 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.816 17.511 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.370 18.145 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU B 45 12.309 15.846 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.589 16.162 -2.734 1.00 0.00 H new ATOM 2221 N GLU B 46 11.498 17.291 1.553 1.00 0.00 N ATOM 2222 CA GLU B 46 11.521 17.849 2.935 1.00 0.00 C ATOM 2223 C GLU B 46 10.971 16.808 3.912 1.00 0.00 C ATOM 2224 O GLU B 46 11.279 16.820 5.087 1.00 0.00 O ATOM 2225 CB GLU B 46 10.654 19.110 2.992 1.00 0.00 C ATOM 2226 CG GLU B 46 11.202 20.149 2.012 1.00 0.00 C ATOM 2227 CD GLU B 46 10.076 21.087 1.575 1.00 0.00 C ATOM 2228 OE1 GLU B 46 8.925 20.713 1.730 1.00 0.00 O ATOM 2229 OE2 GLU B 46 10.383 22.164 1.092 1.00 0.00 O ATOM 0 H GLU B 46 10.599 17.354 1.074 1.00 0.00 H new ATOM 0 HA GLU B 46 12.546 18.101 3.209 1.00 0.00 H new ATOM 0 HB2 GLU B 46 9.622 18.866 2.741 1.00 0.00 H new ATOM 0 HB3 GLU B 46 10.649 19.516 4.004 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.003 20.720 2.482 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.633 19.652 1.143 1.00 0.00 H new ATOM 2236 N ILE B 47 10.162 15.904 3.432 1.00 0.00 N ATOM 2237 CA ILE B 47 9.594 14.859 4.330 1.00 0.00 C ATOM 2238 C ILE B 47 8.761 15.521 5.430 1.00 0.00 C ATOM 2239 O ILE B 47 9.283 16.191 6.300 1.00 0.00 O ATOM 2240 CB ILE B 47 10.733 14.059 4.963 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.522 13.343 3.863 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.154 13.024 5.927 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.973 13.162 4.311 1.00 0.00 C ATOM 0 H ILE B 47 9.870 15.844 2.457 1.00 0.00 H new ATOM 0 HA ILE B 47 8.957 14.191 3.750 1.00 0.00 H new ATOM 0 HB ILE B 47 11.394 14.734 5.507 1.00 0.00 H new ATOM 0 HG12 ILE B 47 11.072 12.373 3.651 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.485 13.921 2.939 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.966 12.453 6.379 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.588 13.531 6.709 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.495 12.348 5.382 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.535 12.652 3.528 1.00 0.00 H new ATOM 0 HD12 ILE B 47 13.420 14.138 4.501 1.00 0.00 H new ATOM 0 HD13 ILE B 47 13.000 12.566 5.223 1.00 0.00 H new ATOM 2255 N LYS B 48 7.470 15.336 5.401 1.00 0.00 N ATOM 2256 CA LYS B 48 6.602 15.951 6.445 1.00 0.00 C ATOM 2257 C LYS B 48 6.431 14.970 7.606 1.00 0.00 C ATOM 2258 O LYS B 48 6.517 15.338 8.760 1.00 0.00 O ATOM 2259 CB LYS B 48 5.233 16.275 5.842 1.00 0.00 C ATOM 2260 CG LYS B 48 4.424 17.116 6.831 1.00 0.00 C ATOM 2261 CD LYS B 48 3.331 16.253 7.461 1.00 0.00 C ATOM 2262 CE LYS B 48 2.753 16.971 8.682 1.00 0.00 C ATOM 2263 NZ LYS B 48 1.298 17.212 8.475 1.00 0.00 N ATOM 0 H LYS B 48 6.978 14.785 4.698 1.00 0.00 H new ATOM 0 HA LYS B 48 7.064 16.868 6.810 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.356 16.816 4.904 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.699 15.354 5.610 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.079 17.515 7.606 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.979 17.969 6.320 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.543 16.058 6.734 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.740 15.286 7.754 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.909 16.370 9.578 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.270 17.917 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.905 17.700 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 1.161 17.802 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.810 16.303 8.346 1.00 0.00 H new ATOM 2277 N GLU B 49 6.197 13.720 7.309 1.00 0.00 N ATOM 2278 CA GLU B 49 6.030 12.714 8.396 1.00 0.00 C ATOM 2279 C GLU B 49 7.406 12.204 8.820 1.00 0.00 C ATOM 2280 O GLU B 49 7.728 11.047 8.648 1.00 0.00 O ATOM 2281 CB GLU B 49 5.191 11.540 7.884 1.00 0.00 C ATOM 2282 CG GLU B 49 3.714 11.792 8.189 1.00 0.00 C ATOM 2283 CD GLU B 49 3.409 11.356 9.624 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.236 10.673 10.203 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.352 11.713 10.118 1.00 0.00 O ATOM 0 H GLU B 49 6.114 13.353 6.361 1.00 0.00 H new ATOM 0 HA GLU B 49 5.527 13.174 9.246 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.335 11.418 6.810 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.517 10.614 8.357 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.480 12.849 8.061 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.087 11.240 7.489 1.00 0.00 H new ATOM 2292 N GLN B 50 8.224 13.060 9.365 1.00 0.00 N ATOM 2293 CA GLN B 50 9.583 12.626 9.789 1.00 0.00 C ATOM 2294 C GLN B 50 9.493 11.317 10.577 1.00 0.00 C ATOM 2295 O GLN B 50 10.439 10.565 10.647 1.00 0.00 O ATOM 2296 CB GLN B 50 10.210 13.707 10.673 1.00 0.00 C ATOM 2297 CG GLN B 50 11.704 13.424 10.844 1.00 0.00 C ATOM 2298 CD GLN B 50 12.025 13.248 12.329 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.254 14.211 13.032 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.052 12.047 12.839 1.00 0.00 N ATOM 0 H GLN B 50 8.009 14.043 9.535 1.00 0.00 H new ATOM 0 HA GLN B 50 10.199 12.470 8.904 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.064 14.689 10.223 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.719 13.726 11.646 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.980 12.525 10.293 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.290 14.244 10.429 1.00 0.00 H new ATOM 0 HE21 GLN B 50 11.860 11.238 12.249 1.00 0.00 H new ATOM 0 HE22 GLN B 50 12.265 11.918 13.828 1.00 0.00 H new ATOM 2309 N GLU B 51 8.372 11.043 11.182 1.00 0.00 N ATOM 2310 CA GLU B 51 8.244 9.785 11.973 1.00 0.00 C ATOM 2311 C GLU B 51 7.964 8.597 11.048 1.00 0.00 C ATOM 2312 O GLU B 51 8.498 7.522 11.231 1.00 0.00 O ATOM 2313 CB GLU B 51 7.098 9.929 12.977 1.00 0.00 C ATOM 2314 CG GLU B 51 7.599 9.577 14.379 1.00 0.00 C ATOM 2315 CD GLU B 51 6.534 9.948 15.413 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.567 10.587 15.035 1.00 0.00 O ATOM 2317 OE2 GLU B 51 6.704 9.587 16.566 1.00 0.00 O ATOM 0 H GLU B 51 7.540 11.633 11.164 1.00 0.00 H new ATOM 0 HA GLU B 51 9.180 9.606 12.502 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.714 10.949 12.962 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.273 9.273 12.699 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.823 8.512 14.439 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.526 10.110 14.589 1.00 0.00 H new ATOM 2324 N VAL B 52 7.127 8.772 10.063 1.00 0.00 N ATOM 2325 CA VAL B 52 6.815 7.640 9.144 1.00 0.00 C ATOM 2326 C VAL B 52 8.040 7.311 8.288 1.00 0.00 C ATOM 2327 O VAL B 52 8.405 6.164 8.128 1.00 0.00 O ATOM 2328 CB VAL B 52 5.647 8.028 8.236 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.377 6.903 7.236 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.396 8.258 9.087 1.00 0.00 C ATOM 0 H VAL B 52 6.646 9.647 9.855 1.00 0.00 H new ATOM 0 HA VAL B 52 6.545 6.764 9.733 1.00 0.00 H new ATOM 0 HB VAL B 52 5.898 8.941 7.696 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.544 7.182 6.590 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.266 6.735 6.629 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.128 5.989 7.775 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.563 8.535 8.441 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.149 7.343 9.626 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.584 9.060 9.801 1.00 0.00 H new ATOM 2340 N VAL B 53 8.671 8.305 7.731 1.00 0.00 N ATOM 2341 CA VAL B 53 9.865 8.041 6.882 1.00 0.00 C ATOM 2342 C VAL B 53 11.061 7.694 7.766 1.00 0.00 C ATOM 2343 O VAL B 53 11.936 6.949 7.372 1.00 0.00 O ATOM 2344 CB VAL B 53 10.182 9.285 6.050 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.403 9.016 5.169 1.00 0.00 C ATOM 2346 CG2 VAL B 53 8.981 9.623 5.163 1.00 0.00 C ATOM 0 H VAL B 53 8.413 9.287 7.826 1.00 0.00 H new ATOM 0 HA VAL B 53 9.658 7.202 6.217 1.00 0.00 H new ATOM 0 HB VAL B 53 10.393 10.122 6.716 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.627 9.903 4.577 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.259 8.774 5.798 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.194 8.179 4.503 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.205 10.509 4.569 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.772 8.785 4.499 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.110 9.816 5.789 1.00 0.00 H new ATOM 2356 N ASP B 54 11.111 8.218 8.960 1.00 0.00 N ATOM 2357 CA ASP B 54 12.257 7.897 9.853 1.00 0.00 C ATOM 2358 C ASP B 54 12.017 6.537 10.500 1.00 0.00 C ATOM 2359 O ASP B 54 12.934 5.892 10.962 1.00 0.00 O ATOM 2360 CB ASP B 54 12.386 8.963 10.942 1.00 0.00 C ATOM 2361 CG ASP B 54 13.642 8.693 11.771 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.700 8.552 11.179 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.526 8.631 12.984 1.00 0.00 O ATOM 0 H ASP B 54 10.413 8.850 9.353 1.00 0.00 H new ATOM 0 HA ASP B 54 13.177 7.874 9.268 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.440 9.954 10.491 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.505 8.952 11.583 1.00 0.00 H new ATOM 2368 N LYS B 55 10.791 6.089 10.537 1.00 0.00 N ATOM 2369 CA LYS B 55 10.508 4.769 11.154 1.00 0.00 C ATOM 2370 C LYS B 55 10.913 3.664 10.178 1.00 0.00 C ATOM 2371 O LYS B 55 11.521 2.684 10.559 1.00 0.00 O ATOM 2372 CB LYS B 55 9.016 4.663 11.472 1.00 0.00 C ATOM 2373 CG LYS B 55 8.730 3.319 12.141 1.00 0.00 C ATOM 2374 CD LYS B 55 8.560 2.248 11.064 1.00 0.00 C ATOM 2375 CE LYS B 55 7.638 1.143 11.584 1.00 0.00 C ATOM 2376 NZ LYS B 55 8.457 0.063 12.203 1.00 0.00 N ATOM 0 H LYS B 55 9.978 6.581 10.167 1.00 0.00 H new ATOM 0 HA LYS B 55 11.076 4.663 12.078 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.715 5.479 12.129 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.431 4.757 10.557 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.547 3.052 12.811 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.828 3.387 12.749 1.00 0.00 H new ATOM 0 HD2 LYS B 55 8.142 2.690 10.160 1.00 0.00 H new ATOM 0 HD3 LYS B 55 9.530 1.830 10.795 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.941 1.551 12.316 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.041 0.738 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 7.831 -0.688 12.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 9.105 -0.332 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 9.008 0.455 12.993 1.00 0.00 H new ATOM 2390 N VAL B 56 10.597 3.815 8.921 1.00 0.00 N ATOM 2391 CA VAL B 56 10.983 2.773 7.936 1.00 0.00 C ATOM 2392 C VAL B 56 12.462 2.935 7.597 1.00 0.00 C ATOM 2393 O VAL B 56 13.182 1.974 7.415 1.00 0.00 O ATOM 2394 CB VAL B 56 10.149 2.929 6.663 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.718 2.459 6.921 1.00 0.00 C ATOM 2396 CG2 VAL B 56 10.125 4.395 6.224 1.00 0.00 C ATOM 0 H VAL B 56 10.090 4.613 8.537 1.00 0.00 H new ATOM 0 HA VAL B 56 10.805 1.785 8.361 1.00 0.00 H new ATOM 0 HB VAL B 56 10.598 2.324 5.875 1.00 0.00 H new ATOM 0 HG11 VAL B 56 8.128 2.572 6.011 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.728 1.411 7.219 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.276 3.059 7.717 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.528 4.493 5.317 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.687 5.004 7.014 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.143 4.733 6.027 1.00 0.00 H new ATOM 2406 N MET B 57 12.918 4.150 7.521 1.00 0.00 N ATOM 2407 CA MET B 57 14.349 4.399 7.206 1.00 0.00 C ATOM 2408 C MET B 57 15.199 4.000 8.410 1.00 0.00 C ATOM 2409 O MET B 57 16.369 3.704 8.283 1.00 0.00 O ATOM 2410 CB MET B 57 14.545 5.886 6.918 1.00 0.00 C ATOM 2411 CG MET B 57 15.870 6.100 6.185 1.00 0.00 C ATOM 2412 SD MET B 57 15.851 5.186 4.621 1.00 0.00 S ATOM 2413 CE MET B 57 14.392 5.982 3.906 1.00 0.00 C ATOM 0 H MET B 57 12.356 4.989 7.665 1.00 0.00 H new ATOM 0 HA MET B 57 14.647 3.815 6.335 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.719 6.261 6.313 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.539 6.451 7.850 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.025 7.162 5.996 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.700 5.762 6.806 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.456 5.950 2.818 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.494 5.457 4.232 1.00 0.00 H new ATOM 0 HE3 MET B 57 14.345 7.020 4.236 1.00 0.00 H new ATOM 2423 N GLU B 58 14.621 3.995 9.581 1.00 0.00 N ATOM 2424 CA GLU B 58 15.406 3.612 10.789 1.00 0.00 C ATOM 2425 C GLU B 58 15.604 2.097 10.804 1.00 0.00 C ATOM 2426 O GLU B 58 16.710 1.614 10.930 1.00 0.00 O ATOM 2427 CB GLU B 58 14.666 4.043 12.057 1.00 0.00 C ATOM 2428 CG GLU B 58 15.218 5.388 12.538 1.00 0.00 C ATOM 2429 CD GLU B 58 14.999 5.522 14.046 1.00 0.00 C ATOM 2430 OE1 GLU B 58 15.116 4.522 14.733 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.717 6.624 14.489 1.00 0.00 O ATOM 0 H GLU B 58 13.645 4.238 9.753 1.00 0.00 H new ATOM 0 HA GLU B 58 16.375 4.110 10.758 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.598 4.127 11.857 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.786 3.289 12.835 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.281 5.460 12.307 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.722 6.205 12.014 1.00 0.00 H new ATOM 2438 N THR B 59 14.549 1.338 10.666 1.00 0.00 N ATOM 2439 CA THR B 59 14.709 -0.141 10.662 1.00 0.00 C ATOM 2440 C THR B 59 15.526 -0.526 9.432 1.00 0.00 C ATOM 2441 O THR B 59 16.302 -1.463 9.443 1.00 0.00 O ATOM 2442 CB THR B 59 13.335 -0.812 10.599 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.397 -0.035 11.332 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.422 -2.214 11.202 1.00 0.00 C ATOM 0 H THR B 59 13.593 1.676 10.557 1.00 0.00 H new ATOM 0 HA THR B 59 15.215 -0.468 11.571 1.00 0.00 H new ATOM 0 HB THR B 59 13.013 -0.886 9.560 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.516 -0.462 11.292 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.443 -2.691 11.157 1.00 0.00 H new ATOM 0 HG22 THR B 59 14.142 -2.808 10.639 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.744 -2.144 12.241 1.00 0.00 H new ATOM 2452 N LEU B 60 15.358 0.213 8.373 1.00 0.00 N ATOM 2453 CA LEU B 60 16.115 -0.067 7.124 1.00 0.00 C ATOM 2454 C LEU B 60 17.611 0.081 7.399 1.00 0.00 C ATOM 2455 O LEU B 60 18.396 -0.804 7.125 1.00 0.00 O ATOM 2456 CB LEU B 60 15.686 0.943 6.058 1.00 0.00 C ATOM 2457 CG LEU B 60 14.570 0.340 5.203 1.00 0.00 C ATOM 2458 CD1 LEU B 60 14.050 1.392 4.223 1.00 0.00 C ATOM 2459 CD2 LEU B 60 15.116 -0.856 4.421 1.00 0.00 C ATOM 0 H LEU B 60 14.721 1.008 8.319 1.00 0.00 H new ATOM 0 HA LEU B 60 15.912 -1.080 6.778 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.340 1.862 6.531 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.537 1.208 5.430 1.00 0.00 H new ATOM 0 HG LEU B 60 13.756 0.012 5.850 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.255 0.961 3.615 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.660 2.245 4.778 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.864 1.721 3.577 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.321 -1.286 3.812 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.931 -0.527 3.776 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.486 -1.608 5.118 1.00 0.00 H new ATOM 2471 N ASP B 61 18.008 1.198 7.944 1.00 0.00 N ATOM 2472 CA ASP B 61 19.450 1.416 8.247 1.00 0.00 C ATOM 2473 C ASP B 61 19.812 0.710 9.556 1.00 0.00 C ATOM 2474 O ASP B 61 20.961 0.650 9.941 1.00 0.00 O ATOM 2475 CB ASP B 61 19.715 2.915 8.389 1.00 0.00 C ATOM 2476 CG ASP B 61 20.807 3.335 7.404 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.641 3.081 6.222 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.790 3.904 7.848 1.00 0.00 O ATOM 0 H ASP B 61 17.393 1.972 8.193 1.00 0.00 H new ATOM 0 HA ASP B 61 20.057 1.011 7.437 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.801 3.477 8.196 1.00 0.00 H new ATOM 0 HB3 ASP B 61 20.022 3.146 9.409 1.00 0.00 H new ATOM 2483 N GLU B 62 18.839 0.179 10.245 1.00 0.00 N ATOM 2484 CA GLU B 62 19.131 -0.516 11.530 1.00 0.00 C ATOM 2485 C GLU B 62 19.938 -1.783 11.257 1.00 0.00 C ATOM 2486 O GLU B 62 20.861 -2.109 11.975 1.00 0.00 O ATOM 2487 CB GLU B 62 17.819 -0.888 12.223 1.00 0.00 C ATOM 2488 CG GLU B 62 18.065 -1.055 13.725 1.00 0.00 C ATOM 2489 CD GLU B 62 17.049 -2.041 14.302 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.989 -1.599 14.709 1.00 0.00 O ATOM 2491 OE2 GLU B 62 17.351 -3.223 14.328 1.00 0.00 O ATOM 0 H GLU B 62 17.856 0.196 9.974 1.00 0.00 H new ATOM 0 HA GLU B 62 19.706 0.149 12.175 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.072 -0.114 12.050 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.423 -1.813 11.803 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.078 -1.416 13.900 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.979 -0.092 14.228 1.00 0.00 H new ATOM 2498 N ASP B 63 19.597 -2.503 10.226 1.00 0.00 N ATOM 2499 CA ASP B 63 20.346 -3.753 9.915 1.00 0.00 C ATOM 2500 C ASP B 63 20.862 -3.704 8.478 1.00 0.00 C ATOM 2501 O ASP B 63 22.042 -3.849 8.225 1.00 0.00 O ATOM 2502 CB ASP B 63 19.417 -4.956 10.084 1.00 0.00 C ATOM 2503 CG ASP B 63 20.014 -5.926 11.104 1.00 0.00 C ATOM 2504 OD1 ASP B 63 20.027 -5.588 12.276 1.00 0.00 O ATOM 2505 OD2 ASP B 63 20.446 -6.991 10.696 1.00 0.00 O ATOM 0 H ASP B 63 18.834 -2.282 9.586 1.00 0.00 H new ATOM 0 HA ASP B 63 21.192 -3.845 10.596 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.433 -4.625 10.415 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.279 -5.459 9.127 1.00 0.00 H new ATOM 2510 N GLY B 64 19.989 -3.507 7.534 1.00 0.00 N ATOM 2511 CA GLY B 64 20.425 -3.453 6.110 1.00 0.00 C ATOM 2512 C GLY B 64 20.382 -4.860 5.511 1.00 0.00 C ATOM 2513 O GLY B 64 19.785 -5.088 4.478 1.00 0.00 O ATOM 0 H GLY B 64 18.988 -3.380 7.685 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.775 -2.785 5.544 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.435 -3.048 6.043 1.00 0.00 H new ATOM 2517 N ASP B 65 21.007 -5.807 6.156 1.00 0.00 N ATOM 2518 CA ASP B 65 20.998 -7.199 5.627 1.00 0.00 C ATOM 2519 C ASP B 65 20.048 -8.054 6.468 1.00 0.00 C ATOM 2520 O ASP B 65 20.443 -8.660 7.444 1.00 0.00 O ATOM 2521 CB ASP B 65 22.411 -7.782 5.702 1.00 0.00 C ATOM 2522 CG ASP B 65 22.593 -8.824 4.597 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.627 -8.435 3.441 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.698 -9.995 4.925 1.00 0.00 O ATOM 0 H ASP B 65 21.523 -5.676 7.026 1.00 0.00 H new ATOM 0 HA ASP B 65 20.663 -7.194 4.590 1.00 0.00 H new ATOM 0 HB2 ASP B 65 23.150 -6.988 5.593 1.00 0.00 H new ATOM 0 HB3 ASP B 65 22.576 -8.239 6.678 1.00 0.00 H new ATOM 2529 N GLY B 66 18.797 -8.106 6.099 1.00 0.00 N ATOM 2530 CA GLY B 66 17.824 -8.918 6.878 1.00 0.00 C ATOM 2531 C GLY B 66 16.763 -9.489 5.935 1.00 0.00 C ATOM 2532 O GLY B 66 16.748 -9.198 4.755 1.00 0.00 O ATOM 0 H GLY B 66 18.408 -7.620 5.291 1.00 0.00 H new ATOM 0 HA2 GLY B 66 18.341 -9.728 7.394 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.352 -8.303 7.644 1.00 0.00 H new ATOM 2536 N GLU B 67 15.878 -10.300 6.444 1.00 0.00 N ATOM 2537 CA GLU B 67 14.823 -10.889 5.573 1.00 0.00 C ATOM 2538 C GLU B 67 13.461 -10.291 5.937 1.00 0.00 C ATOM 2539 O GLU B 67 13.035 -10.334 7.074 1.00 0.00 O ATOM 2540 CB GLU B 67 14.786 -12.405 5.775 1.00 0.00 C ATOM 2541 CG GLU B 67 15.991 -13.042 5.077 1.00 0.00 C ATOM 2542 CD GLU B 67 16.135 -14.496 5.529 1.00 0.00 C ATOM 2543 OE1 GLU B 67 15.161 -15.044 6.017 1.00 0.00 O ATOM 2544 OE2 GLU B 67 17.218 -15.037 5.376 1.00 0.00 O ATOM 0 H GLU B 67 15.840 -10.580 7.424 1.00 0.00 H new ATOM 0 HA GLU B 67 15.047 -10.665 4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.802 -12.641 6.839 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.860 -12.814 5.371 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.863 -12.998 3.995 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.898 -12.485 5.314 1.00 0.00 H new ATOM 2551 N CYS B 68 12.774 -9.736 4.975 1.00 0.00 N ATOM 2552 CA CYS B 68 11.438 -9.139 5.258 1.00 0.00 C ATOM 2553 C CYS B 68 10.354 -10.044 4.674 1.00 0.00 C ATOM 2554 O CYS B 68 10.640 -11.009 3.993 1.00 0.00 O ATOM 2555 CB CYS B 68 11.349 -7.756 4.610 1.00 0.00 C ATOM 2556 SG CYS B 68 11.990 -6.510 5.755 1.00 0.00 S ATOM 0 H CYS B 68 13.081 -9.670 4.005 1.00 0.00 H new ATOM 0 HA CYS B 68 11.299 -9.043 6.335 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.920 -7.740 3.682 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.315 -7.530 4.352 1.00 0.00 H new ATOM 0 HG CYS B 68 11.916 -5.335 5.203 1.00 0.00 H new ATOM 2562 N ASP B 69 9.114 -9.742 4.933 1.00 0.00 N ATOM 2563 CA ASP B 69 8.017 -10.589 4.388 1.00 0.00 C ATOM 2564 C ASP B 69 7.190 -9.768 3.400 1.00 0.00 C ATOM 2565 O ASP B 69 7.505 -8.632 3.112 1.00 0.00 O ATOM 2566 CB ASP B 69 7.126 -11.066 5.537 1.00 0.00 C ATOM 2567 CG ASP B 69 7.984 -11.769 6.590 1.00 0.00 C ATOM 2568 OD1 ASP B 69 9.087 -12.169 6.256 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.524 -11.895 7.713 1.00 0.00 O ATOM 0 H ASP B 69 8.812 -8.948 5.497 1.00 0.00 H new ATOM 0 HA ASP B 69 8.438 -11.454 3.876 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.605 -10.219 5.983 1.00 0.00 H new ATOM 0 HB3 ASP B 69 6.363 -11.747 5.161 1.00 0.00 H new ATOM 2574 N PHE B 70 6.136 -10.328 2.875 1.00 0.00 N ATOM 2575 CA PHE B 70 5.300 -9.565 1.907 1.00 0.00 C ATOM 2576 C PHE B 70 4.478 -8.521 2.663 1.00 0.00 C ATOM 2577 O PHE B 70 4.442 -7.363 2.297 1.00 0.00 O ATOM 2578 CB PHE B 70 4.358 -10.520 1.172 1.00 0.00 C ATOM 2579 CG PHE B 70 3.556 -9.752 0.150 1.00 0.00 C ATOM 2580 CD1 PHE B 70 4.146 -8.702 -0.564 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.218 -10.091 -0.087 1.00 0.00 C ATOM 2582 CE1 PHE B 70 3.401 -7.993 -1.514 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.473 -9.381 -1.036 1.00 0.00 C ATOM 2584 CZ PHE B 70 2.064 -8.333 -1.748 1.00 0.00 C ATOM 0 H PHE B 70 5.818 -11.277 3.073 1.00 0.00 H new ATOM 0 HA PHE B 70 5.946 -9.070 1.182 1.00 0.00 H new ATOM 0 HB2 PHE B 70 4.931 -11.307 0.683 1.00 0.00 H new ATOM 0 HB3 PHE B 70 3.690 -11.007 1.883 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.177 -8.439 -0.382 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.761 -10.900 0.463 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.858 -7.185 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.441 -9.643 -1.218 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.488 -7.785 -2.479 1.00 0.00 H new ATOM 2594 N GLN B 71 3.817 -8.917 3.714 1.00 0.00 N ATOM 2595 CA GLN B 71 3.001 -7.943 4.489 1.00 0.00 C ATOM 2596 C GLN B 71 3.913 -6.856 5.055 1.00 0.00 C ATOM 2597 O GLN B 71 3.478 -5.761 5.351 1.00 0.00 O ATOM 2598 CB GLN B 71 2.292 -8.665 5.636 1.00 0.00 C ATOM 2599 CG GLN B 71 1.253 -9.633 5.066 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.125 -9.298 5.639 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.894 -10.183 5.957 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.473 -8.049 5.784 1.00 0.00 N ATOM 0 H GLN B 71 3.807 -9.873 4.070 1.00 0.00 H new ATOM 0 HA GLN B 71 2.257 -7.490 3.834 1.00 0.00 H new ATOM 0 HB2 GLN B 71 3.018 -9.209 6.241 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.809 -7.941 6.292 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.233 -9.563 3.978 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.522 -10.660 5.314 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.172 -7.306 5.517 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.390 -7.816 6.164 1.00 0.00 H new ATOM 2611 N GLU B 72 5.176 -7.144 5.204 1.00 0.00 N ATOM 2612 CA GLU B 72 6.111 -6.121 5.746 1.00 0.00 C ATOM 2613 C GLU B 72 6.485 -5.146 4.632 1.00 0.00 C ATOM 2614 O GLU B 72 6.325 -3.951 4.762 1.00 0.00 O ATOM 2615 CB GLU B 72 7.369 -6.816 6.270 1.00 0.00 C ATOM 2616 CG GLU B 72 7.213 -7.095 7.766 1.00 0.00 C ATOM 2617 CD GLU B 72 8.360 -6.434 8.531 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.898 -5.463 8.025 1.00 0.00 O ATOM 2619 OE2 GLU B 72 8.681 -6.907 9.608 1.00 0.00 O ATOM 0 H GLU B 72 5.600 -8.043 4.974 1.00 0.00 H new ATOM 0 HA GLU B 72 5.635 -5.575 6.561 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.533 -7.749 5.731 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.243 -6.189 6.096 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.256 -6.711 8.120 1.00 0.00 H new ATOM 0 HG3 GLU B 72 7.212 -8.170 7.948 1.00 0.00 H new ATOM 2626 N PHE B 73 6.969 -5.649 3.531 1.00 0.00 N ATOM 2627 CA PHE B 73 7.335 -4.753 2.402 1.00 0.00 C ATOM 2628 C PHE B 73 6.078 -3.998 1.958 1.00 0.00 C ATOM 2629 O PHE B 73 6.152 -2.952 1.343 1.00 0.00 O ATOM 2630 CB PHE B 73 7.901 -5.608 1.249 1.00 0.00 C ATOM 2631 CG PHE B 73 7.515 -5.029 -0.095 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.255 -5.309 -0.637 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.411 -4.213 -0.796 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.891 -4.777 -1.878 1.00 0.00 C ATOM 2635 CE2 PHE B 73 8.048 -3.681 -2.038 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.788 -3.963 -2.579 1.00 0.00 C ATOM 0 H PHE B 73 7.127 -6.643 3.365 1.00 0.00 H new ATOM 0 HA PHE B 73 8.095 -4.032 2.704 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.987 -5.659 1.329 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.527 -6.628 1.330 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.563 -5.937 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.382 -3.994 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.919 -4.994 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.740 -3.053 -2.579 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.508 -3.552 -3.538 1.00 0.00 H new ATOM 2646 N MET B 74 4.925 -4.524 2.269 1.00 0.00 N ATOM 2647 CA MET B 74 3.660 -3.846 1.874 1.00 0.00 C ATOM 2648 C MET B 74 3.391 -2.685 2.822 1.00 0.00 C ATOM 2649 O MET B 74 3.303 -1.543 2.416 1.00 0.00 O ATOM 2650 CB MET B 74 2.505 -4.844 1.973 1.00 0.00 C ATOM 2651 CG MET B 74 1.681 -4.831 0.681 1.00 0.00 C ATOM 2652 SD MET B 74 2.765 -5.085 -0.748 1.00 0.00 S ATOM 2653 CE MET B 74 2.706 -3.388 -1.374 1.00 0.00 C ATOM 0 H MET B 74 4.805 -5.398 2.782 1.00 0.00 H new ATOM 0 HA MET B 74 3.748 -3.476 0.853 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.895 -5.846 2.154 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.869 -4.592 2.821 1.00 0.00 H new ATOM 0 HG2 MET B 74 0.922 -5.613 0.716 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.155 -3.881 0.585 1.00 0.00 H new ATOM 0 HE1 MET B 74 2.067 -3.348 -2.256 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.303 -2.730 -0.604 1.00 0.00 H new ATOM 0 HE3 MET B 74 3.712 -3.063 -1.639 1.00 0.00 H new ATOM 2663 N ALA B 75 3.252 -2.969 4.084 1.00 0.00 N ATOM 2664 CA ALA B 75 2.980 -1.879 5.060 1.00 0.00 C ATOM 2665 C ALA B 75 4.154 -0.900 5.073 1.00 0.00 C ATOM 2666 O ALA B 75 4.037 0.210 5.546 1.00 0.00 O ATOM 2667 CB ALA B 75 2.791 -2.473 6.456 1.00 0.00 C ATOM 0 H ALA B 75 3.315 -3.906 4.482 1.00 0.00 H new ATOM 0 HA ALA B 75 2.072 -1.351 4.768 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.592 -1.672 7.168 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.950 -3.167 6.446 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.696 -3.004 6.751 1.00 0.00 H new ATOM 2673 N PHE B 76 5.282 -1.304 4.556 1.00 0.00 N ATOM 2674 CA PHE B 76 6.467 -0.397 4.534 1.00 0.00 C ATOM 2675 C PHE B 76 6.360 0.567 3.351 1.00 0.00 C ATOM 2676 O PHE B 76 6.633 1.745 3.468 1.00 0.00 O ATOM 2677 CB PHE B 76 7.742 -1.232 4.391 1.00 0.00 C ATOM 2678 CG PHE B 76 8.573 -1.107 5.645 1.00 0.00 C ATOM 2679 CD1 PHE B 76 8.218 -1.823 6.794 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.699 -0.277 5.658 1.00 0.00 C ATOM 2681 CE1 PHE B 76 8.990 -1.709 7.956 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.471 -0.161 6.821 1.00 0.00 C ATOM 2683 CZ PHE B 76 10.116 -0.878 7.970 1.00 0.00 C ATOM 0 H PHE B 76 5.435 -2.226 4.147 1.00 0.00 H new ATOM 0 HA PHE B 76 6.501 0.173 5.462 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.487 -2.277 4.215 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.315 -0.894 3.528 1.00 0.00 H new ATOM 0 HD1 PHE B 76 7.348 -2.463 6.784 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.973 0.275 4.771 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.717 -2.263 8.842 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.339 0.481 6.831 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.711 -0.790 8.867 1.00 0.00 H new ATOM 2693 N VAL B 77 5.976 0.070 2.206 1.00 0.00 N ATOM 2694 CA VAL B 77 5.865 0.944 1.003 1.00 0.00 C ATOM 2695 C VAL B 77 4.656 1.872 1.133 1.00 0.00 C ATOM 2696 O VAL B 77 4.609 2.926 0.530 1.00 0.00 O ATOM 2697 CB VAL B 77 5.686 0.065 -0.235 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.624 0.946 -1.484 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.869 -0.899 -0.348 1.00 0.00 C ATOM 0 H VAL B 77 5.733 -0.909 2.052 1.00 0.00 H new ATOM 0 HA VAL B 77 6.769 1.546 0.914 1.00 0.00 H new ATOM 0 HB VAL B 77 4.760 -0.503 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.496 0.318 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.782 1.633 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.549 1.515 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.744 -1.527 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.795 -0.330 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.912 -1.527 0.542 1.00 0.00 H new ATOM 2709 N SER B 78 3.674 1.489 1.895 1.00 0.00 N ATOM 2710 CA SER B 78 2.466 2.350 2.034 1.00 0.00 C ATOM 2711 C SER B 78 2.751 3.540 2.957 1.00 0.00 C ATOM 2712 O SER B 78 2.506 4.675 2.605 1.00 0.00 O ATOM 2713 CB SER B 78 1.313 1.526 2.606 1.00 0.00 C ATOM 2714 OG SER B 78 1.720 0.936 3.834 1.00 0.00 O ATOM 0 H SER B 78 3.653 0.619 2.428 1.00 0.00 H new ATOM 0 HA SER B 78 2.196 2.730 1.049 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.442 2.161 2.766 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.018 0.752 1.898 1.00 0.00 H new ATOM 0 HG SER B 78 0.942 0.543 4.282 1.00 0.00 H new ATOM 2720 N MET B 79 3.249 3.298 4.140 1.00 0.00 N ATOM 2721 CA MET B 79 3.520 4.431 5.074 1.00 0.00 C ATOM 2722 C MET B 79 4.489 5.426 4.433 1.00 0.00 C ATOM 2723 O MET B 79 4.316 6.623 4.535 1.00 0.00 O ATOM 2724 CB MET B 79 4.113 3.903 6.382 1.00 0.00 C ATOM 2725 CG MET B 79 5.222 2.896 6.088 1.00 0.00 C ATOM 2726 SD MET B 79 5.852 2.233 7.648 1.00 0.00 S ATOM 2727 CE MET B 79 4.293 1.533 8.242 1.00 0.00 C ATOM 0 H MET B 79 3.479 2.371 4.499 1.00 0.00 H new ATOM 0 HA MET B 79 2.579 4.939 5.287 1.00 0.00 H new ATOM 0 HB2 MET B 79 4.509 4.730 6.970 1.00 0.00 H new ATOM 0 HB3 MET B 79 3.333 3.432 6.980 1.00 0.00 H new ATOM 0 HG2 MET B 79 4.840 2.088 5.464 1.00 0.00 H new ATOM 0 HG3 MET B 79 6.027 3.376 5.531 1.00 0.00 H new ATOM 0 HE1 MET B 79 3.906 2.145 9.057 1.00 0.00 H new ATOM 0 HE2 MET B 79 3.569 1.513 7.427 1.00 0.00 H new ATOM 0 HE3 MET B 79 4.463 0.518 8.601 1.00 0.00 H new ATOM 2737 N VAL B 80 5.511 4.949 3.778 1.00 0.00 N ATOM 2738 CA VAL B 80 6.481 5.881 3.146 1.00 0.00 C ATOM 2739 C VAL B 80 5.795 6.670 2.027 1.00 0.00 C ATOM 2740 O VAL B 80 6.010 7.856 1.876 1.00 0.00 O ATOM 2741 CB VAL B 80 7.649 5.084 2.570 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.530 4.578 3.713 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.118 3.895 1.764 1.00 0.00 C ATOM 0 H VAL B 80 5.715 3.957 3.654 1.00 0.00 H new ATOM 0 HA VAL B 80 6.850 6.579 3.898 1.00 0.00 H new ATOM 0 HB VAL B 80 8.237 5.726 1.914 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.365 4.009 3.304 1.00 0.00 H new ATOM 0 HG12 VAL B 80 8.913 5.426 4.280 1.00 0.00 H new ATOM 0 HG13 VAL B 80 7.941 3.938 4.370 1.00 0.00 H new ATOM 0 HG21 VAL B 80 7.955 3.330 1.355 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.527 3.250 2.414 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.493 4.258 0.948 1.00 0.00 H new ATOM 2753 N THR B 81 4.975 6.029 1.241 1.00 0.00 N ATOM 2754 CA THR B 81 4.287 6.758 0.139 1.00 0.00 C ATOM 2755 C THR B 81 3.244 7.708 0.732 1.00 0.00 C ATOM 2756 O THR B 81 2.728 8.576 0.058 1.00 0.00 O ATOM 2757 CB THR B 81 3.597 5.755 -0.789 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.469 4.660 -1.031 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.252 6.436 -2.114 1.00 0.00 C ATOM 0 H THR B 81 4.752 5.036 1.313 1.00 0.00 H new ATOM 0 HA THR B 81 5.019 7.330 -0.430 1.00 0.00 H new ATOM 0 HB THR B 81 2.682 5.395 -0.319 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.034 3.827 -0.752 1.00 0.00 H new ATOM 0 HG21 THR B 81 2.761 5.721 -2.774 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.583 7.276 -1.928 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.166 6.797 -2.586 1.00 0.00 H new ATOM 2767 N THR B 82 2.932 7.554 1.989 1.00 0.00 N ATOM 2768 CA THR B 82 1.922 8.452 2.622 1.00 0.00 C ATOM 2769 C THR B 82 2.635 9.538 3.431 1.00 0.00 C ATOM 2770 O THR B 82 2.008 10.373 4.052 1.00 0.00 O ATOM 2771 CB THR B 82 1.022 7.642 3.555 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.665 6.418 3.887 1.00 0.00 O ATOM 2773 CG2 THR B 82 -0.311 7.354 2.865 1.00 0.00 C ATOM 0 H THR B 82 3.331 6.847 2.606 1.00 0.00 H new ATOM 0 HA THR B 82 1.317 8.913 1.841 1.00 0.00 H new ATOM 0 HB THR B 82 0.837 8.213 4.465 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.568 5.786 3.145 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.949 6.776 3.534 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.803 8.295 2.616 1.00 0.00 H new ATOM 0 HG23 THR B 82 -0.133 6.785 1.952 1.00 0.00 H new ATOM 2781 N ALA B 83 3.939 9.536 3.429 1.00 0.00 N ATOM 2782 CA ALA B 83 4.683 10.570 4.199 1.00 0.00 C ATOM 2783 C ALA B 83 5.179 11.650 3.240 1.00 0.00 C ATOM 2784 O ALA B 83 6.155 12.324 3.499 1.00 0.00 O ATOM 2785 CB ALA B 83 5.878 9.924 4.900 1.00 0.00 C ATOM 0 H ALA B 83 4.520 8.864 2.928 1.00 0.00 H new ATOM 0 HA ALA B 83 4.024 11.015 4.945 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.422 10.682 5.464 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.525 9.149 5.581 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.540 9.480 4.156 1.00 0.00 H new ATOM 2791 N CYS B 84 4.515 11.817 2.129 1.00 0.00 N ATOM 2792 CA CYS B 84 4.949 12.850 1.152 1.00 0.00 C ATOM 2793 C CYS B 84 4.904 14.227 1.815 1.00 0.00 C ATOM 2794 O CYS B 84 3.954 14.570 2.490 1.00 0.00 O ATOM 2795 CB CYS B 84 4.016 12.834 -0.061 1.00 0.00 C ATOM 2796 SG CYS B 84 2.305 13.055 0.489 1.00 0.00 S ATOM 0 H CYS B 84 3.691 11.281 1.857 1.00 0.00 H new ATOM 0 HA CYS B 84 5.967 12.636 0.826 1.00 0.00 H new ATOM 0 HB2 CYS B 84 4.291 13.628 -0.755 1.00 0.00 H new ATOM 0 HB3 CYS B 84 4.117 11.891 -0.599 1.00 0.00 H new ATOM 0 HG CYS B 84 2.078 14.317 0.704 1.00 0.00 H new ATOM 2802 N HIS B 85 5.932 15.010 1.632 1.00 0.00 N ATOM 2803 CA HIS B 85 5.966 16.368 2.255 1.00 0.00 C ATOM 2804 C HIS B 85 4.580 17.014 2.174 1.00 0.00 C ATOM 2805 O HIS B 85 3.772 16.885 3.072 1.00 0.00 O ATOM 2806 CB HIS B 85 6.989 17.271 1.541 1.00 0.00 C ATOM 2807 CG HIS B 85 7.389 16.688 0.209 1.00 0.00 C ATOM 2808 ND1 HIS B 85 6.781 17.063 -0.981 1.00 0.00 N ATOM 2809 CD2 HIS B 85 8.343 15.761 -0.138 1.00 0.00 C ATOM 2810 CE1 HIS B 85 7.370 16.371 -1.974 1.00 0.00 C ATOM 2811 NE2 HIS B 85 8.328 15.563 -1.516 1.00 0.00 N ATOM 0 H HIS B 85 6.753 14.769 1.077 1.00 0.00 H new ATOM 0 HA HIS B 85 6.261 16.257 3.298 1.00 0.00 H new ATOM 0 HB2 HIS B 85 6.563 18.263 1.394 1.00 0.00 H new ATOM 0 HB3 HIS B 85 7.872 17.393 2.168 1.00 0.00 H new ATOM 0 HD1 HIS B 85 6.025 17.740 -1.084 1.00 0.00 H new ATOM 0 HD2 HIS B 85 9.005 15.261 0.554 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.100 16.459 -3.016 1.00 0.00 H new ATOM 2819 N GLU B 86 4.300 17.713 1.110 1.00 0.00 N ATOM 2820 CA GLU B 86 2.970 18.371 0.980 1.00 0.00 C ATOM 2821 C GLU B 86 1.876 17.312 0.846 1.00 0.00 C ATOM 2822 O GLU B 86 2.133 16.126 0.889 1.00 0.00 O ATOM 2823 CB GLU B 86 2.963 19.265 -0.261 1.00 0.00 C ATOM 2824 CG GLU B 86 3.711 20.565 0.042 1.00 0.00 C ATOM 2825 CD GLU B 86 3.984 21.313 -1.263 1.00 0.00 C ATOM 2826 OE1 GLU B 86 4.244 20.655 -2.258 1.00 0.00 O ATOM 2827 OE2 GLU B 86 3.927 22.532 -1.247 1.00 0.00 O ATOM 0 H GLU B 86 4.935 17.857 0.325 1.00 0.00 H new ATOM 0 HA GLU B 86 2.781 18.973 1.869 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.434 18.748 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.938 19.484 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.121 21.188 0.714 1.00 0.00 H new ATOM 0 HG3 GLU B 86 4.650 20.347 0.551 1.00 0.00 H new ATOM 2834 N PHE B 87 0.655 17.738 0.682 1.00 0.00 N ATOM 2835 CA PHE B 87 -0.467 16.772 0.541 1.00 0.00 C ATOM 2836 C PHE B 87 -1.046 16.881 -0.869 1.00 0.00 C ATOM 2837 O PHE B 87 -1.731 17.829 -1.195 1.00 0.00 O ATOM 2838 CB PHE B 87 -1.551 17.109 1.568 1.00 0.00 C ATOM 2839 CG PHE B 87 -2.515 15.955 1.695 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -2.036 14.665 1.956 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -3.889 16.176 1.553 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -2.935 13.597 2.076 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -4.787 15.110 1.671 1.00 0.00 C ATOM 2844 CZ PHE B 87 -4.309 13.821 1.933 1.00 0.00 C ATOM 0 H PHE B 87 0.386 18.721 0.639 1.00 0.00 H new ATOM 0 HA PHE B 87 -0.108 15.757 0.710 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.095 17.321 2.535 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -2.085 18.009 1.264 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.975 14.494 2.065 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -4.257 17.171 1.352 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.568 12.602 2.279 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -5.848 15.281 1.560 1.00 0.00 H new ATOM 0 HZ PHE B 87 -5.002 12.998 2.025 1.00 0.00 H new ATOM 2854 N PHE B 88 -0.773 15.925 -1.715 1.00 0.00 N ATOM 2855 CA PHE B 88 -1.306 15.991 -3.105 1.00 0.00 C ATOM 2856 C PHE B 88 -0.908 17.331 -3.730 1.00 0.00 C ATOM 2857 O PHE B 88 -1.739 18.186 -3.961 1.00 0.00 O ATOM 2858 CB PHE B 88 -2.832 15.879 -3.076 1.00 0.00 C ATOM 2859 CG PHE B 88 -3.234 14.462 -2.743 1.00 0.00 C ATOM 2860 CD1 PHE B 88 -2.949 13.932 -1.478 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -3.894 13.678 -3.697 1.00 0.00 C ATOM 2862 CE1 PHE B 88 -3.322 12.619 -1.169 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -4.267 12.366 -3.387 1.00 0.00 C ATOM 2864 CZ PHE B 88 -3.980 11.837 -2.123 1.00 0.00 C ATOM 0 H PHE B 88 -0.206 15.104 -1.504 1.00 0.00 H new ATOM 0 HA PHE B 88 -0.895 15.171 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -3.242 16.567 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -3.245 16.167 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -2.441 14.537 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -4.115 14.086 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -3.102 12.210 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -4.776 11.761 -4.123 1.00 0.00 H new ATOM 0 HZ PHE B 88 -4.267 10.824 -1.885 1.00 0.00 H new ATOM 2874 N GLU B 89 0.356 17.523 -4.001 1.00 0.00 N ATOM 2875 CA GLU B 89 0.797 18.814 -4.603 1.00 0.00 C ATOM 2876 C GLU B 89 2.067 18.597 -5.428 1.00 0.00 C ATOM 2877 O GLU B 89 2.112 18.882 -6.609 1.00 0.00 O ATOM 2878 CB GLU B 89 1.079 19.824 -3.488 1.00 0.00 C ATOM 2879 CG GLU B 89 0.110 21.001 -3.606 1.00 0.00 C ATOM 2880 CD GLU B 89 -0.120 21.616 -2.222 1.00 0.00 C ATOM 2881 OE1 GLU B 89 0.371 21.053 -1.258 1.00 0.00 O ATOM 2882 OE2 GLU B 89 -0.783 22.636 -2.152 1.00 0.00 O ATOM 0 H GLU B 89 1.099 16.845 -3.832 1.00 0.00 H new ATOM 0 HA GLU B 89 0.009 19.195 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.970 19.346 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU B 89 2.108 20.178 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.514 21.751 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.837 20.665 -4.028 1.00 0.00 H new ATOM 2889 N HIS B 90 3.102 18.101 -4.812 1.00 0.00 N ATOM 2890 CA HIS B 90 4.377 17.870 -5.554 1.00 0.00 C ATOM 2891 C HIS B 90 4.914 19.204 -6.079 1.00 0.00 C ATOM 2892 O HIS B 90 5.796 19.244 -6.913 1.00 0.00 O ATOM 2893 CB HIS B 90 4.122 16.924 -6.731 1.00 0.00 C ATOM 2894 CG HIS B 90 5.371 16.807 -7.563 1.00 0.00 C ATOM 2895 ND1 HIS B 90 5.399 17.164 -8.902 1.00 0.00 N ATOM 2896 CD2 HIS B 90 6.641 16.381 -7.262 1.00 0.00 C ATOM 2897 CE1 HIS B 90 6.648 16.950 -9.354 1.00 0.00 C ATOM 2898 NE2 HIS B 90 7.446 16.472 -8.394 1.00 0.00 N ATOM 0 H HIS B 90 3.123 17.844 -3.825 1.00 0.00 H new ATOM 0 HA HIS B 90 5.110 17.423 -4.882 1.00 0.00 H new ATOM 0 HB2 HIS B 90 3.824 15.942 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.300 17.299 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS B 90 6.966 16.029 -6.294 1.00 0.00 H new ATOM 0 HE1 HIS B 90 6.967 17.141 -10.368 1.00 0.00 H new ATOM 0 HE2 HIS B 90 8.433 16.227 -8.474 1.00 0.00 H new ATOM 2906 N GLU B 91 4.390 20.298 -5.596 1.00 0.00 N ATOM 2907 CA GLU B 91 4.874 21.626 -6.069 1.00 0.00 C ATOM 2908 C GLU B 91 4.490 22.701 -5.051 1.00 0.00 C ATOM 2909 O GLU B 91 3.303 22.917 -4.867 1.00 0.00 O ATOM 2910 CB GLU B 91 4.238 21.951 -7.422 1.00 0.00 C ATOM 2911 CG GLU B 91 5.326 22.011 -8.495 1.00 0.00 C ATOM 2912 CD GLU B 91 4.738 21.586 -9.842 1.00 0.00 C ATOM 2913 OE1 GLU B 91 3.524 21.527 -9.942 1.00 0.00 O ATOM 2914 OE2 GLU B 91 5.511 21.327 -10.748 1.00 0.00 O ATOM 2915 OXT GLU B 91 5.388 23.291 -4.475 1.00 0.00 O ATOM 0 H GLU B 91 3.649 20.329 -4.896 1.00 0.00 H new ATOM 0 HA GLU B 91 5.958 21.599 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU B 91 3.499 21.192 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU B 91 3.712 22.904 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU B 91 5.728 23.022 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU B 91 6.155 21.356 -8.225 1.00 0.00 H new TER 2922 GLU B 91