USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 MET CE :methyl -102:sc= -2.16 (180deg=-5.95!) USER MOD Set 1.2: B 68 CYS SG : rot -104:sc= 0.684 USER MOD Set 2.1: B 37 ASN :FLIP amide:sc=-0.00477 F(o=-1.9,f=-1.3) USER MOD Set 2.2: B 38 ASN :FLIP amide:sc= -1.33 F(o=-5.6!,f=-1.3) USER MOD Set 3.1: A 81 THR OG1 : rot 98:sc= 0.256 USER MOD Set 3.2: B 7 MET CE :methyl -101:sc= -0.617 (180deg=-1.69) USER MOD Set 4.1: A 74 MET CE :methyl 174:sc= -1.37 (180deg=-1.76) USER MOD Set 4.2: A 78 SER OG : rot -153:sc= 1.9 USER MOD Set 4.3: B 74 MET CE :methyl 175:sc= -1.45 (180deg=-1.88) USER MOD Set 4.4: B 78 SER OG : rot 77:sc= -1.6! USER MOD Set 5.1: A 57 MET CE :methyl -104:sc= -2.1 (180deg=-5.89!) USER MOD Set 5.2: A 68 CYS SG : rot -103:sc= 0.65 USER MOD Set 6.1: A 37 ASN :FLIP amide:sc=-0.00549 F(o=-2,f=-1.3) USER MOD Set 6.2: A 38 ASN :FLIP amide:sc= -1.34 F(o=-5.2!,f=-1.3) USER MOD Set 7.1: A 7 MET CE :methyl 141:sc= -0.477 (180deg=-1.58) USER MOD Set 7.2: B 81 THR OG1 : rot 97:sc= 0.109 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -151:sc= 0 (180deg=-0.882) USER MOD Single : A 1 SER OG : rot 20:sc= 1.29 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.079) USER MOD Single : A 15 HIS : no HD1:sc= -0.285 K(o=-0.28,f=-1.5) USER MOD Single : A 16 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.85) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 18 SER OG : rot -53:sc= -0.0133 USER MOD Single : A 24 LYS NZ :NH3+ 133:sc= -0.218 (180deg=-1.24) USER MOD Single : A 25 HIS :FLIP no HD1:sc= 0.00101 F(o=-0.86,f=0.001) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.457 (180deg=-1.11) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.102 (180deg=-0.132) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00355 (180deg=-0.121) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.746 F(o=-1.6,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= -0.249 (180deg=-1.23!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.8!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.212 (180deg=-1.47!) USER MOD Single : A 82 THR OG1 : rot -0:sc= 0.0655 USER MOD Single : A 84 CYS SG : rot -107:sc= -3.62! USER MOD Single : A 85 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=0) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -151:sc= 0 (180deg=-0.907) USER MOD Single : B 1 SER OG : rot 2:sc= 1.23 USER MOD Single : B 5 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0913) USER MOD Single : B 15 HIS : no HD1:sc= -0.305 K(o=-0.3,f=-1.5) USER MOD Single : B 16 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.93) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.639 USER MOD Single : B 18 SER OG : rot -53:sc=-0.00159 USER MOD Single : B 24 LYS NZ :NH3+ 152:sc= -0.236 (180deg=-1.14) USER MOD Single : B 25 HIS :FLIP no HD1:sc= -0.015 F(o=-0.84,f=-0.015) USER MOD Single : B 26 LYS NZ :NH3+ -156:sc= -0.586 (180deg=-1.19) USER MOD Single : B 28 LYS NZ :NH3+ -162:sc= 0.135 (180deg=-0.226) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0901) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0848 USER MOD Single : B 42 HIS :FLIP no HD1:sc= -0.76 F(o=-1.6,f=-0.76) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -131:sc= -0.205 (180deg=-1.04) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8!) USER MOD Single : B 79 MET CE :methyl 144:sc= -0.302 (180deg=-1.43!) USER MOD Single : B 82 THR OG1 : rot 11:sc= -0.199 USER MOD Single : B 84 CYS SG : rot -108:sc= -3.05! USER MOD Single : B 85 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : X 105 HIS :FLIP no HD1:sc= -1.82 F(o=-3.5!,f=-1.8) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -129:sc= -4.15! (180deg=-11.4!) USER MOD Single : X 112 THR OG1 : rot 180:sc= 0 USER MOD Single : Y 105 HIS :FLIP no HD1:sc= -1.88 F(o=-3.5!,f=-1.9) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -126:sc= -4.02! (180deg=-11.4!) USER MOD Single : Y 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.672 -3.393 -12.309 1.00 0.00 N ATOM 2 CA MET A 0 2.216 -4.045 -13.569 1.00 0.00 C ATOM 3 C MET A 0 1.073 -3.230 -14.175 1.00 0.00 C ATOM 4 O MET A 0 -0.068 -3.647 -14.168 1.00 0.00 O ATOM 5 CB MET A 0 1.730 -5.462 -13.259 1.00 0.00 C ATOM 6 CG MET A 0 1.476 -6.214 -14.565 1.00 0.00 C ATOM 7 SD MET A 0 0.931 -7.900 -14.192 1.00 0.00 S ATOM 8 CE MET A 0 0.481 -8.373 -15.880 1.00 0.00 C ATOM 0 H1 MET A 0 3.680 -3.599 -12.156 1.00 0.00 H new ATOM 0 H2 MET A 0 2.536 -2.364 -12.382 1.00 0.00 H new ATOM 0 H3 MET A 0 2.118 -3.759 -11.508 1.00 0.00 H new ATOM 0 HA MET A 0 3.042 -4.093 -14.278 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.474 -5.990 -12.662 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.816 -5.422 -12.667 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.718 -5.697 -15.154 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.385 -6.238 -15.166 1.00 0.00 H new ATOM 0 HE1 MET A 0 0.111 -9.398 -15.884 1.00 0.00 H new ATOM 0 HE2 MET A 0 -0.297 -7.705 -16.250 1.00 0.00 H new ATOM 0 HE3 MET A 0 1.357 -8.301 -16.524 1.00 0.00 H new ATOM 20 N SER A 1 1.370 -2.065 -14.690 1.00 0.00 N ATOM 21 CA SER A 1 0.297 -1.215 -15.291 1.00 0.00 C ATOM 22 C SER A 1 -0.759 -0.900 -14.227 1.00 0.00 C ATOM 23 O SER A 1 -1.902 -0.622 -14.532 1.00 0.00 O ATOM 24 CB SER A 1 -0.355 -1.950 -16.465 1.00 0.00 C ATOM 25 OG SER A 1 -1.093 -1.022 -17.250 1.00 0.00 O ATOM 0 H SER A 1 2.308 -1.665 -14.721 1.00 0.00 H new ATOM 0 HA SER A 1 0.735 -0.286 -15.655 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.408 -2.434 -17.075 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.014 -2.736 -16.096 1.00 0.00 H new ATOM 0 HG SER A 1 -0.777 -0.113 -17.065 1.00 0.00 H new ATOM 31 N GLU A 2 -0.375 -0.932 -12.981 1.00 0.00 N ATOM 32 CA GLU A 2 -1.334 -0.623 -11.882 1.00 0.00 C ATOM 33 C GLU A 2 -1.546 0.883 -11.817 1.00 0.00 C ATOM 34 O GLU A 2 -2.147 1.401 -10.900 1.00 0.00 O ATOM 35 CB GLU A 2 -0.770 -1.124 -10.555 1.00 0.00 C ATOM 36 CG GLU A 2 -0.615 -2.638 -10.636 1.00 0.00 C ATOM 37 CD GLU A 2 -0.186 -3.187 -9.274 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.007 -3.259 -9.034 1.00 0.00 O ATOM 39 OE2 GLU A 2 -1.061 -3.524 -8.493 1.00 0.00 O ATOM 0 H GLU A 2 0.570 -1.161 -12.674 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.286 -1.118 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.193 -0.655 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.435 -0.855 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.557 -3.094 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.125 -2.897 -11.393 1.00 0.00 H new ATOM 46 N LEU A 3 -1.040 1.589 -12.785 1.00 0.00 N ATOM 47 CA LEU A 3 -1.183 3.070 -12.796 1.00 0.00 C ATOM 48 C LEU A 3 -2.628 3.441 -12.463 1.00 0.00 C ATOM 49 O LEU A 3 -2.907 4.514 -11.984 1.00 0.00 O ATOM 50 CB LEU A 3 -0.804 3.582 -14.202 1.00 0.00 C ATOM 51 CG LEU A 3 -0.863 5.127 -14.319 1.00 0.00 C ATOM 52 CD1 LEU A 3 -2.321 5.644 -14.444 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.160 5.775 -13.116 1.00 0.00 C ATOM 0 H LEU A 3 -0.528 1.201 -13.577 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.529 3.526 -12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.202 3.242 -14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.477 3.141 -14.937 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.341 5.411 -15.233 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.316 6.731 -14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.783 5.217 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.889 5.347 -13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.207 6.860 -13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.656 5.467 -12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.883 5.458 -13.090 1.00 0.00 H new ATOM 65 N GLU A 4 -3.548 2.559 -12.711 1.00 0.00 N ATOM 66 CA GLU A 4 -4.974 2.867 -12.408 1.00 0.00 C ATOM 67 C GLU A 4 -5.188 3.003 -10.901 1.00 0.00 C ATOM 68 O GLU A 4 -5.935 3.849 -10.451 1.00 0.00 O ATOM 69 CB GLU A 4 -5.863 1.755 -12.964 1.00 0.00 C ATOM 70 CG GLU A 4 -5.855 1.826 -14.493 1.00 0.00 C ATOM 71 CD GLU A 4 -6.742 0.718 -15.063 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.187 -0.113 -14.289 1.00 0.00 O ATOM 73 OE2 GLU A 4 -6.958 0.717 -16.264 1.00 0.00 O ATOM 0 H GLU A 4 -3.378 1.636 -13.111 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.238 3.815 -12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.501 0.782 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.880 1.863 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.215 2.800 -14.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.837 1.719 -14.867 1.00 0.00 H new ATOM 80 N LYS A 5 -4.559 2.178 -10.115 1.00 0.00 N ATOM 81 CA LYS A 5 -4.758 2.271 -8.640 1.00 0.00 C ATOM 82 C LYS A 5 -3.893 3.400 -8.076 1.00 0.00 C ATOM 83 O LYS A 5 -4.215 3.996 -7.071 1.00 0.00 O ATOM 84 CB LYS A 5 -4.399 0.920 -7.976 1.00 0.00 C ATOM 85 CG LYS A 5 -2.889 0.799 -7.705 1.00 0.00 C ATOM 86 CD LYS A 5 -2.581 -0.608 -7.186 1.00 0.00 C ATOM 87 CE LYS A 5 -1.088 -0.726 -6.864 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.806 -0.068 -5.556 1.00 0.00 N ATOM 0 H LYS A 5 -3.919 1.447 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.803 2.493 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.946 0.819 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.719 0.102 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.327 0.994 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.578 1.545 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.172 -0.814 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.861 -1.351 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.796 -1.775 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.497 -0.259 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.190 -0.222 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.990 0.953 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.421 -0.475 -4.823 1.00 0.00 H new ATOM 102 N ALA A 6 -2.776 3.667 -8.694 1.00 0.00 N ATOM 103 CA ALA A 6 -1.873 4.727 -8.170 1.00 0.00 C ATOM 104 C ALA A 6 -2.463 6.121 -8.362 1.00 0.00 C ATOM 105 O ALA A 6 -2.377 6.953 -7.486 1.00 0.00 O ATOM 106 CB ALA A 6 -0.521 4.639 -8.880 1.00 0.00 C ATOM 0 H ALA A 6 -2.450 3.197 -9.539 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.748 4.564 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.142 5.415 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.077 3.660 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.663 4.779 -9.952 1.00 0.00 H new ATOM 112 N MET A 7 -3.050 6.400 -9.487 1.00 0.00 N ATOM 113 CA MET A 7 -3.628 7.760 -9.685 1.00 0.00 C ATOM 114 C MET A 7 -4.889 7.912 -8.842 1.00 0.00 C ATOM 115 O MET A 7 -5.175 8.973 -8.324 1.00 0.00 O ATOM 116 CB MET A 7 -3.949 8.012 -11.173 1.00 0.00 C ATOM 117 CG MET A 7 -2.687 8.484 -11.909 1.00 0.00 C ATOM 118 SD MET A 7 -3.093 8.876 -13.632 1.00 0.00 S ATOM 119 CE MET A 7 -1.467 9.514 -14.121 1.00 0.00 C ATOM 0 H MET A 7 -3.156 5.757 -10.272 1.00 0.00 H new ATOM 0 HA MET A 7 -2.891 8.498 -9.368 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.327 7.099 -11.632 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.734 8.763 -11.262 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.273 9.363 -11.414 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.922 7.708 -11.873 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.236 9.184 -15.134 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.479 10.603 -14.088 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.708 9.139 -13.435 1.00 0.00 H new ATOM 129 N VAL A 8 -5.654 6.872 -8.709 1.00 0.00 N ATOM 130 CA VAL A 8 -6.902 6.992 -7.904 1.00 0.00 C ATOM 131 C VAL A 8 -6.548 7.261 -6.437 1.00 0.00 C ATOM 132 O VAL A 8 -7.204 8.027 -5.763 1.00 0.00 O ATOM 133 CB VAL A 8 -7.731 5.707 -8.012 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.890 5.757 -7.006 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.295 5.583 -9.431 1.00 0.00 C ATOM 0 H VAL A 8 -5.477 5.953 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.492 7.823 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.097 4.847 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.479 4.843 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.491 5.847 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.524 6.617 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.885 4.670 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.928 6.444 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.474 5.547 -10.147 1.00 0.00 H new ATOM 145 N ALA A 9 -5.532 6.616 -5.934 1.00 0.00 N ATOM 146 CA ALA A 9 -5.149 6.811 -4.502 1.00 0.00 C ATOM 147 C ALA A 9 -4.515 8.181 -4.287 1.00 0.00 C ATOM 148 O ALA A 9 -4.725 8.817 -3.276 1.00 0.00 O ATOM 149 CB ALA A 9 -4.151 5.740 -4.083 1.00 0.00 C ATOM 0 H ALA A 9 -4.947 5.960 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.055 6.739 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.876 5.888 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.602 4.755 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.260 5.810 -4.706 1.00 0.00 H new ATOM 155 N LEU A 10 -3.724 8.632 -5.213 1.00 0.00 N ATOM 156 CA LEU A 10 -3.064 9.950 -5.034 1.00 0.00 C ATOM 157 C LEU A 10 -4.157 11.006 -4.890 1.00 0.00 C ATOM 158 O LEU A 10 -4.077 11.911 -4.083 1.00 0.00 O ATOM 159 CB LEU A 10 -2.214 10.249 -6.282 1.00 0.00 C ATOM 160 CG LEU A 10 -1.067 11.220 -5.928 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.163 10.420 -5.472 1.00 0.00 C ATOM 162 CD2 LEU A 10 -0.706 12.058 -7.159 1.00 0.00 C ATOM 0 H LEU A 10 -3.506 8.148 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.423 9.952 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.804 9.322 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.840 10.683 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.388 11.880 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.972 11.107 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.094 9.827 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.485 9.758 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.104 12.743 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.387 11.399 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.578 12.629 -7.479 1.00 0.00 H new ATOM 174 N ILE A 11 -5.186 10.866 -5.667 1.00 0.00 N ATOM 175 CA ILE A 11 -6.324 11.814 -5.612 1.00 0.00 C ATOM 176 C ILE A 11 -7.078 11.673 -4.279 1.00 0.00 C ATOM 177 O ILE A 11 -7.517 12.649 -3.707 1.00 0.00 O ATOM 178 CB ILE A 11 -7.248 11.534 -6.807 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.546 12.011 -8.091 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.585 12.262 -6.634 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.287 11.502 -9.333 1.00 0.00 C ATOM 0 H ILE A 11 -5.289 10.118 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.960 12.840 -5.670 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.452 10.465 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.505 13.100 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.516 11.653 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.227 12.052 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.072 11.917 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.409 13.336 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.775 11.850 -10.230 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.305 10.412 -9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.309 11.882 -9.328 1.00 0.00 H new ATOM 193 N ASP A 12 -7.257 10.472 -3.790 1.00 0.00 N ATOM 194 CA ASP A 12 -8.009 10.292 -2.508 1.00 0.00 C ATOM 195 C ASP A 12 -7.325 11.030 -1.348 1.00 0.00 C ATOM 196 O ASP A 12 -7.977 11.617 -0.507 1.00 0.00 O ATOM 197 CB ASP A 12 -8.062 8.803 -2.164 1.00 0.00 C ATOM 198 CG ASP A 12 -8.980 8.078 -3.150 1.00 0.00 C ATOM 199 OD1 ASP A 12 -9.804 8.739 -3.760 1.00 0.00 O ATOM 200 OD2 ASP A 12 -8.842 6.872 -3.281 1.00 0.00 O ATOM 0 H ASP A 12 -6.917 9.611 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.010 10.701 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.060 8.375 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.427 8.668 -1.146 1.00 0.00 H new ATOM 205 N VAL A 13 -6.025 10.973 -1.275 1.00 0.00 N ATOM 206 CA VAL A 13 -5.305 11.635 -0.144 1.00 0.00 C ATOM 207 C VAL A 13 -5.397 13.166 -0.274 1.00 0.00 C ATOM 208 O VAL A 13 -5.580 13.878 0.703 1.00 0.00 O ATOM 209 CB VAL A 13 -3.830 11.134 -0.153 1.00 0.00 C ATOM 210 CG1 VAL A 13 -2.858 12.193 -0.698 1.00 0.00 C ATOM 211 CG2 VAL A 13 -3.396 10.742 1.261 1.00 0.00 C ATOM 0 H VAL A 13 -5.426 10.497 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.762 11.375 0.811 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.794 10.268 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.843 11.796 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.134 12.448 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.907 13.087 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.363 10.394 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.474 11.608 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.041 9.945 1.632 1.00 0.00 H new ATOM 221 N PHE A 14 -5.275 13.673 -1.465 1.00 0.00 N ATOM 222 CA PHE A 14 -5.355 15.145 -1.654 1.00 0.00 C ATOM 223 C PHE A 14 -6.712 15.639 -1.176 1.00 0.00 C ATOM 224 O PHE A 14 -6.818 16.679 -0.578 1.00 0.00 O ATOM 225 CB PHE A 14 -5.170 15.480 -3.135 1.00 0.00 C ATOM 226 CG PHE A 14 -5.372 16.961 -3.352 1.00 0.00 C ATOM 227 CD1 PHE A 14 -4.314 17.853 -3.147 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.621 17.442 -3.767 1.00 0.00 C ATOM 229 CE1 PHE A 14 -4.503 19.225 -3.354 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.810 18.813 -3.974 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.751 19.704 -3.767 1.00 0.00 C ATOM 0 H PHE A 14 -5.123 13.132 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.570 15.634 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.172 15.188 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.881 14.914 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.351 17.483 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.438 16.754 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.686 19.913 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.773 19.183 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.897 20.762 -3.926 1.00 0.00 H new ATOM 241 N HIS A 15 -7.746 14.906 -1.450 1.00 0.00 N ATOM 242 CA HIS A 15 -9.106 15.332 -1.024 1.00 0.00 C ATOM 243 C HIS A 15 -9.197 15.441 0.503 1.00 0.00 C ATOM 244 O HIS A 15 -9.892 16.291 1.024 1.00 0.00 O ATOM 245 CB HIS A 15 -10.139 14.325 -1.534 1.00 0.00 C ATOM 246 CG HIS A 15 -11.517 14.768 -1.127 1.00 0.00 C ATOM 247 ND1 HIS A 15 -12.048 14.475 0.121 1.00 0.00 N ATOM 248 CD2 HIS A 15 -12.489 15.474 -1.794 1.00 0.00 C ATOM 249 CE1 HIS A 15 -13.288 14.998 0.166 1.00 0.00 C ATOM 250 NE2 HIS A 15 -13.603 15.615 -0.973 1.00 0.00 N ATOM 0 H HIS A 15 -7.710 14.021 -1.956 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.309 16.316 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.078 14.244 -2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -9.929 13.336 -1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.402 15.859 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.946 14.926 1.019 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.477 16.091 -1.196 1.00 0.00 H new ATOM 259 N GLN A 16 -8.540 14.577 1.232 1.00 0.00 N ATOM 260 CA GLN A 16 -8.650 14.641 2.717 1.00 0.00 C ATOM 261 C GLN A 16 -8.162 15.993 3.241 1.00 0.00 C ATOM 262 O GLN A 16 -8.734 16.551 4.156 1.00 0.00 O ATOM 263 CB GLN A 16 -7.783 13.543 3.334 1.00 0.00 C ATOM 264 CG GLN A 16 -8.402 12.175 3.052 1.00 0.00 C ATOM 265 CD GLN A 16 -9.690 12.020 3.864 1.00 0.00 C ATOM 266 OE1 GLN A 16 -9.738 12.381 5.023 1.00 0.00 O ATOM 267 NE2 GLN A 16 -10.742 11.492 3.301 1.00 0.00 N ATOM 0 H GLN A 16 -7.939 13.838 0.867 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.697 14.507 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.775 13.588 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.695 13.698 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.616 12.073 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.698 11.385 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.702 11.189 2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.605 11.382 3.834 1.00 0.00 H new ATOM 276 N TYR A 17 -7.099 16.521 2.697 1.00 0.00 N ATOM 277 CA TYR A 17 -6.579 17.829 3.210 1.00 0.00 C ATOM 278 C TYR A 17 -7.268 19.024 2.543 1.00 0.00 C ATOM 279 O TYR A 17 -7.454 20.056 3.156 1.00 0.00 O ATOM 280 CB TYR A 17 -5.069 17.883 2.968 1.00 0.00 C ATOM 281 CG TYR A 17 -4.386 17.073 4.041 1.00 0.00 C ATOM 282 CD1 TYR A 17 -4.036 17.691 5.242 1.00 0.00 C ATOM 283 CD2 TYR A 17 -4.127 15.713 3.846 1.00 0.00 C ATOM 284 CE1 TYR A 17 -3.426 16.955 6.259 1.00 0.00 C ATOM 285 CE2 TYR A 17 -3.511 14.971 4.859 1.00 0.00 C ATOM 286 CZ TYR A 17 -3.161 15.589 6.067 1.00 0.00 C ATOM 287 OH TYR A 17 -2.560 14.851 7.066 1.00 0.00 O ATOM 0 H TYR A 17 -6.570 16.111 1.927 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.795 17.895 4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.828 17.486 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.718 18.915 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.238 18.742 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.402 15.237 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.159 17.434 7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.305 13.921 4.710 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.451 13.924 6.768 1.00 0.00 H new ATOM 297 N SER A 18 -7.636 18.913 1.305 1.00 0.00 N ATOM 298 CA SER A 18 -8.291 20.068 0.630 1.00 0.00 C ATOM 299 C SER A 18 -9.579 20.428 1.373 1.00 0.00 C ATOM 300 O SER A 18 -9.903 21.586 1.549 1.00 0.00 O ATOM 301 CB SER A 18 -8.624 19.690 -0.812 1.00 0.00 C ATOM 302 OG SER A 18 -9.769 18.849 -0.821 1.00 0.00 O ATOM 0 H SER A 18 -7.515 18.080 0.730 1.00 0.00 H new ATOM 0 HA SER A 18 -7.617 20.924 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.812 20.587 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.778 19.178 -1.271 1.00 0.00 H new ATOM 0 HG SER A 18 -9.622 18.090 -0.218 1.00 0.00 H new ATOM 308 N GLY A 19 -10.316 19.444 1.809 1.00 0.00 N ATOM 309 CA GLY A 19 -11.588 19.724 2.542 1.00 0.00 C ATOM 310 C GLY A 19 -11.301 19.986 4.025 1.00 0.00 C ATOM 311 O GLY A 19 -12.208 20.111 4.823 1.00 0.00 O ATOM 0 H GLY A 19 -10.094 18.456 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.086 20.588 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.268 18.878 2.440 1.00 0.00 H new ATOM 315 N ARG A 20 -10.056 20.046 4.409 1.00 0.00 N ATOM 316 CA ARG A 20 -9.736 20.274 5.849 1.00 0.00 C ATOM 317 C ARG A 20 -10.322 21.610 6.326 1.00 0.00 C ATOM 318 O ARG A 20 -10.947 21.681 7.365 1.00 0.00 O ATOM 319 CB ARG A 20 -8.212 20.271 6.035 1.00 0.00 C ATOM 320 CG ARG A 20 -7.832 20.688 7.466 1.00 0.00 C ATOM 321 CD ARG A 20 -8.554 19.806 8.488 1.00 0.00 C ATOM 322 NE ARG A 20 -7.935 20.001 9.831 1.00 0.00 N ATOM 323 CZ ARG A 20 -8.544 19.569 10.903 1.00 0.00 C ATOM 324 NH1 ARG A 20 -9.690 18.953 10.802 1.00 0.00 N ATOM 325 NH2 ARG A 20 -8.006 19.754 12.079 1.00 0.00 N ATOM 0 H ARG A 20 -9.249 19.948 3.793 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.179 19.475 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.818 19.277 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.753 20.953 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.754 20.605 7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.094 21.733 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.613 20.061 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.488 18.759 8.193 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.034 20.473 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.112 18.808 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.164 18.617 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.111 20.236 12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.481 19.417 12.916 1.00 0.00 H new ATOM 339 N GLU A 21 -10.128 22.669 5.580 1.00 0.00 N ATOM 340 CA GLU A 21 -10.678 24.000 6.001 1.00 0.00 C ATOM 341 C GLU A 21 -11.975 24.278 5.241 1.00 0.00 C ATOM 342 O GLU A 21 -13.001 24.555 5.832 1.00 0.00 O ATOM 343 CB GLU A 21 -9.667 25.109 5.683 1.00 0.00 C ATOM 344 CG GLU A 21 -10.186 26.441 6.234 1.00 0.00 C ATOM 345 CD GLU A 21 -9.186 27.557 5.924 1.00 0.00 C ATOM 346 OE1 GLU A 21 -8.092 27.242 5.487 1.00 0.00 O ATOM 347 OE2 GLU A 21 -9.533 28.710 6.127 1.00 0.00 O ATOM 0 H GLU A 21 -9.614 22.672 4.699 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.871 23.981 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.699 24.872 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.517 25.182 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.154 26.675 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.337 26.365 7.311 1.00 0.00 H new ATOM 354 N GLY A 22 -11.948 24.205 3.938 1.00 0.00 N ATOM 355 CA GLY A 22 -13.193 24.470 3.165 1.00 0.00 C ATOM 356 C GLY A 22 -12.870 24.689 1.683 1.00 0.00 C ATOM 357 O GLY A 22 -13.717 24.512 0.831 1.00 0.00 O ATOM 0 H GLY A 22 -11.125 23.975 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.880 23.631 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.697 25.349 3.567 1.00 0.00 H new ATOM 361 N ASP A 23 -11.662 25.073 1.357 1.00 0.00 N ATOM 362 CA ASP A 23 -11.327 25.297 -0.079 1.00 0.00 C ATOM 363 C ASP A 23 -10.987 23.954 -0.731 1.00 0.00 C ATOM 364 O ASP A 23 -9.837 23.619 -0.932 1.00 0.00 O ATOM 365 CB ASP A 23 -10.127 26.239 -0.182 1.00 0.00 C ATOM 366 CG ASP A 23 -10.545 27.648 0.247 1.00 0.00 C ATOM 367 OD1 ASP A 23 -11.734 27.921 0.241 1.00 0.00 O ATOM 368 OD2 ASP A 23 -9.668 28.428 0.583 1.00 0.00 O ATOM 0 H ASP A 23 -10.901 25.239 2.016 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.179 25.745 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.315 25.881 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.751 26.255 -1.205 1.00 0.00 H new ATOM 373 N LYS A 24 -11.987 23.184 -1.056 1.00 0.00 N ATOM 374 CA LYS A 24 -11.750 21.858 -1.691 1.00 0.00 C ATOM 375 C LYS A 24 -11.109 22.049 -3.071 1.00 0.00 C ATOM 376 O LYS A 24 -10.240 21.300 -3.472 1.00 0.00 O ATOM 377 CB LYS A 24 -13.091 21.138 -1.846 1.00 0.00 C ATOM 378 CG LYS A 24 -12.865 19.739 -2.434 1.00 0.00 C ATOM 379 CD LYS A 24 -14.171 18.927 -2.393 1.00 0.00 C ATOM 380 CE LYS A 24 -15.080 19.326 -3.561 1.00 0.00 C ATOM 381 NZ LYS A 24 -14.382 19.050 -4.846 1.00 0.00 N ATOM 0 H LYS A 24 -12.968 23.419 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.079 21.267 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.586 21.060 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.750 21.714 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.512 19.822 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.089 19.221 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.947 17.862 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.685 19.099 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.015 18.768 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.336 20.383 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.028 18.553 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.083 19.947 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.547 18.457 -4.667 1.00 0.00 H new ATOM 395 N HIS A 25 -11.549 23.033 -3.808 1.00 0.00 N ATOM 396 CA HIS A 25 -10.991 23.257 -5.174 1.00 0.00 C ATOM 397 C HIS A 25 -9.646 23.991 -5.108 1.00 0.00 C ATOM 398 O HIS A 25 -8.950 24.096 -6.099 1.00 0.00 O ATOM 399 CB HIS A 25 -11.980 24.094 -5.987 1.00 0.00 C ATOM 400 CG HIS A 25 -12.111 25.457 -5.367 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.781 25.899 -4.252 1.00 0.00 N flip ATOM 402 CD2 HIS A 25 -11.494 26.577 -5.907 1.00 0.00 C flip ATOM 403 CE1 HIS A 25 -12.581 27.267 -4.104 1.00 0.00 C flip ATOM 404 NE2 HIS A 25 -11.802 27.628 -5.124 1.00 0.00 N flip ATOM 0 H HIS A 25 -12.272 23.693 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.832 22.288 -5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.636 24.183 -7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.952 23.601 -6.016 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.879 26.601 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.974 27.904 -3.326 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.480 28.581 -5.290 1.00 0.00 H new ATOM 413 N LYS A 26 -9.269 24.507 -3.964 1.00 0.00 N ATOM 414 CA LYS A 26 -7.962 25.236 -3.867 1.00 0.00 C ATOM 415 C LYS A 26 -7.282 24.925 -2.535 1.00 0.00 C ATOM 416 O LYS A 26 -7.910 24.849 -1.499 1.00 0.00 O ATOM 417 CB LYS A 26 -8.207 26.740 -3.991 1.00 0.00 C ATOM 418 CG LYS A 26 -6.864 27.465 -4.109 1.00 0.00 C ATOM 419 CD LYS A 26 -7.087 28.982 -4.181 1.00 0.00 C ATOM 420 CE LYS A 26 -7.910 29.348 -5.424 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.487 28.508 -6.581 1.00 0.00 N ATOM 0 H LYS A 26 -9.804 24.457 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.309 24.909 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.824 26.948 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.754 27.104 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.235 27.223 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.335 27.125 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.603 29.322 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.126 29.495 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.971 29.199 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.775 30.403 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.810 28.948 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.450 28.429 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.906 27.560 -6.493 1.00 0.00 H new ATOM 435 N LEU A 27 -5.988 24.743 -2.571 1.00 0.00 N ATOM 436 CA LEU A 27 -5.212 24.428 -1.335 1.00 0.00 C ATOM 437 C LEU A 27 -4.383 25.665 -0.974 1.00 0.00 C ATOM 438 O LEU A 27 -3.696 26.210 -1.809 1.00 0.00 O ATOM 439 CB LEU A 27 -4.284 23.249 -1.658 1.00 0.00 C ATOM 440 CG LEU A 27 -3.636 22.685 -0.382 1.00 0.00 C ATOM 441 CD1 LEU A 27 -4.601 21.719 0.323 1.00 0.00 C ATOM 442 CD2 LEU A 27 -2.358 21.927 -0.760 1.00 0.00 C ATOM 0 H LEU A 27 -5.426 24.800 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.863 24.168 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.850 22.464 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.507 23.573 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.401 23.510 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.130 21.327 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.514 22.249 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.844 20.894 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.894 21.525 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.607 21.109 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.664 22.607 -1.253 1.00 0.00 H new ATOM 454 N LYS A 28 -4.451 26.134 0.249 1.00 0.00 N ATOM 455 CA LYS A 28 -3.674 27.355 0.625 1.00 0.00 C ATOM 456 C LYS A 28 -2.369 26.945 1.307 1.00 0.00 C ATOM 457 O LYS A 28 -2.257 25.865 1.854 1.00 0.00 O ATOM 458 CB LYS A 28 -4.502 28.191 1.603 1.00 0.00 C ATOM 459 CG LYS A 28 -5.834 28.574 0.950 1.00 0.00 C ATOM 460 CD LYS A 28 -6.559 29.612 1.817 1.00 0.00 C ATOM 461 CE LYS A 28 -7.052 28.962 3.114 1.00 0.00 C ATOM 462 NZ LYS A 28 -8.042 29.859 3.775 1.00 0.00 N ATOM 0 H LYS A 28 -5.008 25.726 0.999 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.451 27.934 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.683 27.626 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.952 29.089 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.658 28.979 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.458 27.688 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.886 30.438 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.402 30.031 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.508 27.996 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.211 28.776 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.085 29.640 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.753 30.850 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.980 29.714 3.350 1.00 0.00 H new ATOM 476 N LYS A 29 -1.382 27.806 1.300 1.00 0.00 N ATOM 477 CA LYS A 29 -0.097 27.471 1.969 1.00 0.00 C ATOM 478 C LYS A 29 -0.409 26.978 3.373 1.00 0.00 C ATOM 479 O LYS A 29 0.353 26.261 3.989 1.00 0.00 O ATOM 480 CB LYS A 29 0.787 28.726 2.047 1.00 0.00 C ATOM 481 CG LYS A 29 0.203 29.747 3.031 1.00 0.00 C ATOM 482 CD LYS A 29 0.978 31.062 2.898 1.00 0.00 C ATOM 483 CE LYS A 29 0.587 32.015 4.030 1.00 0.00 C ATOM 484 NZ LYS A 29 1.418 33.251 3.945 1.00 0.00 N ATOM 0 H LYS A 29 -1.415 28.725 0.859 1.00 0.00 H new ATOM 0 HA LYS A 29 0.433 26.702 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.793 28.448 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.874 29.176 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.854 29.910 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.272 29.370 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.050 30.867 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.766 31.523 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.471 32.269 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.733 31.530 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.154 33.900 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.423 33.000 4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.257 33.715 3.029 1.00 0.00 H new ATOM 498 N SER A 30 -1.542 27.369 3.871 1.00 0.00 N ATOM 499 CA SER A 30 -1.949 26.941 5.240 1.00 0.00 C ATOM 500 C SER A 30 -2.409 25.485 5.198 1.00 0.00 C ATOM 501 O SER A 30 -1.976 24.660 5.979 1.00 0.00 O ATOM 502 CB SER A 30 -3.091 27.831 5.730 1.00 0.00 C ATOM 503 OG SER A 30 -2.630 29.173 5.821 1.00 0.00 O ATOM 0 H SER A 30 -2.211 27.970 3.389 1.00 0.00 H new ATOM 0 HA SER A 30 -1.103 27.032 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.936 27.770 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.444 27.488 6.703 1.00 0.00 H new ATOM 0 HG SER A 30 -3.359 29.749 6.133 1.00 0.00 H new ATOM 509 N GLU A 31 -3.275 25.160 4.280 1.00 0.00 N ATOM 510 CA GLU A 31 -3.751 23.758 4.173 1.00 0.00 C ATOM 511 C GLU A 31 -2.567 22.893 3.746 1.00 0.00 C ATOM 512 O GLU A 31 -2.445 21.746 4.125 1.00 0.00 O ATOM 513 CB GLU A 31 -4.868 23.676 3.130 1.00 0.00 C ATOM 514 CG GLU A 31 -6.109 24.404 3.654 1.00 0.00 C ATOM 515 CD GLU A 31 -7.171 24.465 2.552 1.00 0.00 C ATOM 516 OE1 GLU A 31 -6.986 23.810 1.541 1.00 0.00 O ATOM 517 OE2 GLU A 31 -8.152 25.164 2.739 1.00 0.00 O ATOM 0 H GLU A 31 -3.673 25.807 3.599 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.144 23.409 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.539 24.124 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.107 22.634 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.506 23.886 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.844 25.412 3.974 1.00 0.00 H new ATOM 524 N LEU A 32 -1.691 23.454 2.957 1.00 0.00 N ATOM 525 CA LEU A 32 -0.495 22.700 2.492 1.00 0.00 C ATOM 526 C LEU A 32 0.344 22.286 3.695 1.00 0.00 C ATOM 527 O LEU A 32 0.857 21.196 3.749 1.00 0.00 O ATOM 528 CB LEU A 32 0.337 23.593 1.563 1.00 0.00 C ATOM 529 CG LEU A 32 1.617 22.869 1.117 1.00 0.00 C ATOM 530 CD1 LEU A 32 1.268 21.551 0.411 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.389 23.778 0.156 1.00 0.00 C ATOM 0 H LEU A 32 -1.755 24.412 2.612 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.811 21.808 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.254 23.868 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.597 24.519 2.077 1.00 0.00 H new ATOM 0 HG LEU A 32 2.227 22.643 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.185 21.050 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.716 20.907 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.654 21.759 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.300 23.275 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.769 24.000 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.648 24.707 0.663 1.00 0.00 H new ATOM 543 N LYS A 33 0.503 23.154 4.652 1.00 0.00 N ATOM 544 CA LYS A 33 1.327 22.799 5.849 1.00 0.00 C ATOM 545 C LYS A 33 0.733 21.586 6.565 1.00 0.00 C ATOM 546 O LYS A 33 1.450 20.732 7.048 1.00 0.00 O ATOM 547 CB LYS A 33 1.380 23.986 6.823 1.00 0.00 C ATOM 548 CG LYS A 33 2.275 23.631 8.020 1.00 0.00 C ATOM 549 CD LYS A 33 2.336 24.814 8.986 1.00 0.00 C ATOM 550 CE LYS A 33 3.332 24.512 10.108 1.00 0.00 C ATOM 551 NZ LYS A 33 2.786 23.439 10.988 1.00 0.00 N ATOM 0 H LYS A 33 0.102 24.092 4.662 1.00 0.00 H new ATOM 0 HA LYS A 33 2.335 22.558 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.768 24.869 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.376 24.232 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.883 22.752 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.278 23.379 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.636 25.716 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.348 25.005 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.287 24.199 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.522 25.413 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.368 23.365 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.807 23.671 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.801 22.532 10.480 1.00 0.00 H new ATOM 565 N GLU A 34 -0.563 21.511 6.669 1.00 0.00 N ATOM 566 CA GLU A 34 -1.176 20.367 7.387 1.00 0.00 C ATOM 567 C GLU A 34 -0.962 19.089 6.578 1.00 0.00 C ATOM 568 O GLU A 34 -0.781 18.029 7.122 1.00 0.00 O ATOM 569 CB GLU A 34 -2.675 20.640 7.604 1.00 0.00 C ATOM 570 CG GLU A 34 -3.173 19.900 8.857 1.00 0.00 C ATOM 571 CD GLU A 34 -2.802 20.700 10.110 1.00 0.00 C ATOM 572 OE1 GLU A 34 -1.949 21.564 10.005 1.00 0.00 O ATOM 573 OE2 GLU A 34 -3.381 20.435 11.150 1.00 0.00 O ATOM 0 H GLU A 34 -1.221 22.191 6.288 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.706 20.242 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.845 21.711 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.242 20.315 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.253 19.765 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.730 18.905 8.904 1.00 0.00 H new ATOM 580 N LEU A 35 -0.978 19.178 5.284 1.00 0.00 N ATOM 581 CA LEU A 35 -0.748 17.959 4.466 1.00 0.00 C ATOM 582 C LEU A 35 0.675 17.464 4.694 1.00 0.00 C ATOM 583 O LEU A 35 0.915 16.300 4.920 1.00 0.00 O ATOM 584 CB LEU A 35 -0.942 18.298 2.981 1.00 0.00 C ATOM 585 CG LEU A 35 -0.707 17.038 2.100 1.00 0.00 C ATOM 586 CD1 LEU A 35 -1.650 17.064 0.892 1.00 0.00 C ATOM 587 CD2 LEU A 35 0.743 16.996 1.581 1.00 0.00 C ATOM 0 H LEU A 35 -1.139 20.036 4.757 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.456 17.182 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.950 18.680 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.250 19.088 2.689 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.899 16.158 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.480 16.179 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.684 17.073 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.457 17.958 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.884 16.106 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.941 17.885 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.431 16.967 2.426 1.00 0.00 H new ATOM 599 N ILE A 36 1.625 18.344 4.596 1.00 0.00 N ATOM 600 CA ILE A 36 3.047 17.941 4.753 1.00 0.00 C ATOM 601 C ILE A 36 3.360 17.573 6.205 1.00 0.00 C ATOM 602 O ILE A 36 3.994 16.575 6.473 1.00 0.00 O ATOM 603 CB ILE A 36 3.937 19.109 4.311 1.00 0.00 C ATOM 604 CG1 ILE A 36 3.610 19.468 2.860 1.00 0.00 C ATOM 605 CG2 ILE A 36 5.412 18.709 4.391 1.00 0.00 C ATOM 606 CD1 ILE A 36 4.326 20.765 2.482 1.00 0.00 C ATOM 0 H ILE A 36 1.477 19.336 4.412 1.00 0.00 H new ATOM 0 HA ILE A 36 3.238 17.062 4.137 1.00 0.00 H new ATOM 0 HB ILE A 36 3.754 19.960 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.921 18.662 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.533 19.585 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.034 19.547 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.661 18.440 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.593 17.855 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.093 21.021 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.993 21.569 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.402 20.631 2.589 1.00 0.00 H new ATOM 618 N ASN A 37 2.961 18.380 7.144 1.00 0.00 N ATOM 619 CA ASN A 37 3.291 18.069 8.566 1.00 0.00 C ATOM 620 C ASN A 37 2.528 16.836 9.071 1.00 0.00 C ATOM 621 O ASN A 37 3.040 16.059 9.852 1.00 0.00 O ATOM 622 CB ASN A 37 2.938 19.276 9.439 1.00 0.00 C ATOM 623 CG ASN A 37 3.351 19.001 10.885 1.00 0.00 C ATOM 624 OD1 ASN A 37 4.618 18.968 11.194 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 2.512 18.814 11.744 1.00 0.00 N flip ATOM 0 H ASN A 37 2.425 19.235 6.995 1.00 0.00 H new ATOM 0 HA ASN A 37 4.357 17.851 8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.445 20.167 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.867 19.474 9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.521 18.840 11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.799 18.631 12.706 1.00 0.00 H new ATOM 632 N ASN A 38 1.293 16.685 8.679 1.00 0.00 N ATOM 633 CA ASN A 38 0.463 15.536 9.189 1.00 0.00 C ATOM 634 C ASN A 38 0.395 14.353 8.209 1.00 0.00 C ATOM 635 O ASN A 38 0.290 13.217 8.629 1.00 0.00 O ATOM 636 CB ASN A 38 -0.957 16.034 9.456 1.00 0.00 C ATOM 637 CG ASN A 38 -0.903 17.280 10.339 1.00 0.00 C ATOM 638 OD1 ASN A 38 -0.226 18.319 9.935 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 -1.480 17.308 11.408 1.00 0.00 N flip ATOM 0 H ASN A 38 0.814 17.305 8.026 1.00 0.00 H new ATOM 0 HA ASN A 38 0.942 15.174 10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.456 16.264 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.541 15.254 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.009 16.495 11.723 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.435 18.144 11.990 1.00 0.00 H new ATOM 646 N GLU A 39 0.425 14.576 6.920 1.00 0.00 N ATOM 647 CA GLU A 39 0.325 13.412 5.984 1.00 0.00 C ATOM 648 C GLU A 39 1.698 12.740 5.894 1.00 0.00 C ATOM 649 O GLU A 39 1.825 11.620 5.443 1.00 0.00 O ATOM 650 CB GLU A 39 -0.148 13.888 4.587 1.00 0.00 C ATOM 651 CG GLU A 39 -0.841 12.743 3.834 1.00 0.00 C ATOM 652 CD GLU A 39 0.192 11.690 3.432 1.00 0.00 C ATOM 653 OE1 GLU A 39 1.059 12.015 2.636 1.00 0.00 O ATOM 654 OE2 GLU A 39 0.099 10.577 3.923 1.00 0.00 O ATOM 0 H GLU A 39 0.512 15.492 6.480 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.406 12.694 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.835 14.727 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.705 14.246 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.608 12.292 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.344 13.130 2.948 1.00 0.00 H new ATOM 661 N LEU A 40 2.725 13.408 6.362 1.00 0.00 N ATOM 662 CA LEU A 40 4.099 12.812 6.349 1.00 0.00 C ATOM 663 C LEU A 40 4.538 12.600 7.797 1.00 0.00 C ATOM 664 O LEU A 40 5.497 13.182 8.262 1.00 0.00 O ATOM 665 CB LEU A 40 5.072 13.769 5.662 1.00 0.00 C ATOM 666 CG LEU A 40 4.483 14.239 4.328 1.00 0.00 C ATOM 667 CD1 LEU A 40 5.499 15.130 3.599 1.00 0.00 C ATOM 668 CD2 LEU A 40 4.136 13.025 3.453 1.00 0.00 C ATOM 0 H LEU A 40 2.670 14.347 6.755 1.00 0.00 H new ATOM 0 HA LEU A 40 4.092 11.866 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.268 14.627 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.027 13.272 5.493 1.00 0.00 H new ATOM 0 HG LEU A 40 3.575 14.811 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.077 15.462 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.731 15.997 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.411 14.563 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.718 13.367 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.038 12.444 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.405 12.402 3.969 1.00 0.00 H new ATOM 680 N SER A 41 3.826 11.779 8.517 1.00 0.00 N ATOM 681 CA SER A 41 4.177 11.532 9.946 1.00 0.00 C ATOM 682 C SER A 41 5.591 10.957 10.049 1.00 0.00 C ATOM 683 O SER A 41 6.339 11.299 10.943 1.00 0.00 O ATOM 684 CB SER A 41 3.183 10.540 10.550 1.00 0.00 C ATOM 685 OG SER A 41 3.362 9.268 9.942 1.00 0.00 O ATOM 0 H SER A 41 3.013 11.266 8.177 1.00 0.00 H new ATOM 0 HA SER A 41 4.134 12.476 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.334 10.466 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.162 10.890 10.395 1.00 0.00 H new ATOM 0 HG SER A 41 2.727 8.629 10.328 1.00 0.00 H new ATOM 691 N HIS A 42 5.963 10.073 9.154 1.00 0.00 N ATOM 692 CA HIS A 42 7.333 9.469 9.215 1.00 0.00 C ATOM 693 C HIS A 42 7.943 9.391 7.810 1.00 0.00 C ATOM 694 O HIS A 42 9.026 8.871 7.628 1.00 0.00 O ATOM 695 CB HIS A 42 7.226 8.060 9.805 1.00 0.00 C ATOM 696 CG HIS A 42 8.598 7.495 10.059 1.00 0.00 C ATOM 697 ND1 HIS A 42 9.848 8.071 10.097 1.00 0.00 N flip ATOM 698 CD2 HIS A 42 8.796 6.148 10.325 1.00 0.00 C flip ATOM 699 CE1 HIS A 42 10.797 7.097 10.381 1.00 0.00 C flip ATOM 700 NE2 HIS A 42 10.115 5.959 10.510 1.00 0.00 N flip ATOM 0 H HIS A 42 5.379 9.744 8.385 1.00 0.00 H new ATOM 0 HA HIS A 42 7.974 10.090 9.840 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.660 8.090 10.736 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.679 7.412 9.120 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.030 5.388 10.375 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.864 7.233 10.477 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.540 5.057 10.723 1.00 0.00 H new ATOM 709 N PHE A 43 7.266 9.897 6.813 1.00 0.00 N ATOM 710 CA PHE A 43 7.834 9.834 5.434 1.00 0.00 C ATOM 711 C PHE A 43 9.145 10.630 5.396 1.00 0.00 C ATOM 712 O PHE A 43 10.157 10.157 4.916 1.00 0.00 O ATOM 713 CB PHE A 43 6.823 10.431 4.428 1.00 0.00 C ATOM 714 CG PHE A 43 6.988 9.789 3.056 1.00 0.00 C ATOM 715 CD1 PHE A 43 8.231 9.813 2.403 1.00 0.00 C ATOM 716 CD2 PHE A 43 5.894 9.165 2.436 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.378 9.216 1.147 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.049 8.568 1.178 1.00 0.00 C ATOM 719 CZ PHE A 43 7.288 8.593 0.537 1.00 0.00 C ATOM 0 H PHE A 43 6.354 10.347 6.892 1.00 0.00 H new ATOM 0 HA PHE A 43 8.031 8.797 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.807 10.274 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.971 11.508 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.076 10.294 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.933 9.145 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.336 9.237 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.207 8.087 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.404 8.130 -0.432 1.00 0.00 H new ATOM 729 N LEU A 44 9.135 11.840 5.892 1.00 0.00 N ATOM 730 CA LEU A 44 10.382 12.667 5.867 1.00 0.00 C ATOM 731 C LEU A 44 10.353 13.725 6.962 1.00 0.00 C ATOM 732 O LEU A 44 9.399 13.859 7.701 1.00 0.00 O ATOM 733 CB LEU A 44 10.544 13.356 4.501 1.00 0.00 C ATOM 734 CG LEU A 44 9.217 14.032 4.037 1.00 0.00 C ATOM 735 CD1 LEU A 44 9.265 15.541 4.322 1.00 0.00 C ATOM 736 CD2 LEU A 44 9.019 13.816 2.522 1.00 0.00 C ATOM 0 H LEU A 44 8.322 12.291 6.312 1.00 0.00 H new ATOM 0 HA LEU A 44 11.227 12.000 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.333 14.106 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.858 12.623 3.758 1.00 0.00 H new ATOM 0 HG LEU A 44 8.389 13.583 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.334 16.003 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.395 15.705 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.101 15.987 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.090 14.291 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.855 14.257 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.971 12.748 2.310 1.00 0.00 H new ATOM 748 N GLU A 45 11.418 14.470 7.071 1.00 0.00 N ATOM 749 CA GLU A 45 11.497 15.519 8.115 1.00 0.00 C ATOM 750 C GLU A 45 10.287 16.441 8.003 1.00 0.00 C ATOM 751 O GLU A 45 10.242 17.339 7.186 1.00 0.00 O ATOM 752 CB GLU A 45 12.779 16.330 7.909 1.00 0.00 C ATOM 753 CG GLU A 45 12.900 17.419 8.980 1.00 0.00 C ATOM 754 CD GLU A 45 13.080 16.772 10.355 1.00 0.00 C ATOM 755 OE1 GLU A 45 13.382 15.590 10.399 1.00 0.00 O ATOM 756 OE2 GLU A 45 12.915 17.469 11.342 1.00 0.00 O ATOM 0 H GLU A 45 12.242 14.393 6.474 1.00 0.00 H new ATOM 0 HA GLU A 45 11.507 15.058 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.645 15.670 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.774 16.784 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.748 18.068 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.009 18.047 8.977 1.00 0.00 H new ATOM 763 N GLU A 46 9.315 16.227 8.835 1.00 0.00 N ATOM 764 CA GLU A 46 8.101 17.086 8.812 1.00 0.00 C ATOM 765 C GLU A 46 8.498 18.553 8.843 1.00 0.00 C ATOM 766 O GLU A 46 9.659 18.905 8.890 1.00 0.00 O ATOM 767 CB GLU A 46 7.226 16.801 10.034 1.00 0.00 C ATOM 768 CG GLU A 46 6.551 15.444 9.885 1.00 0.00 C ATOM 769 CD GLU A 46 7.573 14.329 10.128 1.00 0.00 C ATOM 770 OE1 GLU A 46 8.665 14.639 10.575 1.00 0.00 O ATOM 771 OE2 GLU A 46 7.244 13.185 9.865 1.00 0.00 O ATOM 0 H GLU A 46 9.307 15.488 9.538 1.00 0.00 H new ATOM 0 HA GLU A 46 7.548 16.866 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.834 16.817 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.473 17.581 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.728 15.357 10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.124 15.347 8.887 1.00 0.00 H new ATOM 778 N ILE A 47 7.517 19.409 8.817 1.00 0.00 N ATOM 779 CA ILE A 47 7.773 20.872 8.843 1.00 0.00 C ATOM 780 C ILE A 47 7.492 21.391 10.258 1.00 0.00 C ATOM 781 O ILE A 47 6.488 21.059 10.856 1.00 0.00 O ATOM 782 CB ILE A 47 6.818 21.567 7.859 1.00 0.00 C ATOM 783 CG1 ILE A 47 6.861 20.879 6.474 1.00 0.00 C ATOM 784 CG2 ILE A 47 7.190 23.054 7.729 1.00 0.00 C ATOM 785 CD1 ILE A 47 8.077 21.339 5.661 1.00 0.00 C ATOM 0 H ILE A 47 6.531 19.150 8.778 1.00 0.00 H new ATOM 0 HA ILE A 47 8.806 21.077 8.562 1.00 0.00 H new ATOM 0 HB ILE A 47 5.802 21.487 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.896 19.797 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.947 21.105 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.509 23.540 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.113 23.535 8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.212 23.143 7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.078 20.837 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.027 22.417 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.991 21.089 6.200 1.00 0.00 H new ATOM 797 N LYS A 48 8.372 22.195 10.801 1.00 0.00 N ATOM 798 CA LYS A 48 8.162 22.730 12.185 1.00 0.00 C ATOM 799 C LYS A 48 7.784 24.211 12.092 1.00 0.00 C ATOM 800 O LYS A 48 7.084 24.737 12.936 1.00 0.00 O ATOM 801 CB LYS A 48 9.468 22.583 12.986 1.00 0.00 C ATOM 802 CG LYS A 48 10.164 21.254 12.645 1.00 0.00 C ATOM 803 CD LYS A 48 9.291 20.061 13.054 1.00 0.00 C ATOM 804 CE LYS A 48 9.936 18.773 12.544 1.00 0.00 C ATOM 805 NZ LYS A 48 9.274 17.598 13.180 1.00 0.00 N ATOM 0 H LYS A 48 9.230 22.506 10.345 1.00 0.00 H new ATOM 0 HA LYS A 48 7.365 22.177 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.134 23.417 12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.253 22.624 14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.370 21.210 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.125 21.200 13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.186 20.026 14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.288 20.169 12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.844 18.713 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.001 18.772 12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.713 16.722 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.384 17.655 14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.262 17.597 12.939 1.00 0.00 H new ATOM 819 N GLU A 49 8.244 24.879 11.065 1.00 0.00 N ATOM 820 CA GLU A 49 7.927 26.331 10.882 1.00 0.00 C ATOM 821 C GLU A 49 7.160 26.531 9.581 1.00 0.00 C ATOM 822 O GLU A 49 7.427 25.891 8.583 1.00 0.00 O ATOM 823 CB GLU A 49 9.222 27.135 10.805 1.00 0.00 C ATOM 824 CG GLU A 49 9.884 27.185 12.174 1.00 0.00 C ATOM 825 CD GLU A 49 9.054 28.063 13.113 1.00 0.00 C ATOM 826 OE1 GLU A 49 8.299 28.881 12.614 1.00 0.00 O ATOM 827 OE2 GLU A 49 9.188 27.904 14.315 1.00 0.00 O ATOM 0 H GLU A 49 8.833 24.477 10.336 1.00 0.00 H new ATOM 0 HA GLU A 49 7.326 26.667 11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.899 26.682 10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.012 28.146 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.972 26.179 12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.895 27.583 12.086 1.00 0.00 H new ATOM 834 N GLN A 50 6.223 27.431 9.580 1.00 0.00 N ATOM 835 CA GLN A 50 5.454 27.698 8.341 1.00 0.00 C ATOM 836 C GLN A 50 6.372 28.392 7.332 1.00 0.00 C ATOM 837 O GLN A 50 6.073 28.472 6.163 1.00 0.00 O ATOM 838 CB GLN A 50 4.266 28.618 8.651 1.00 0.00 C ATOM 839 CG GLN A 50 3.279 28.609 7.464 1.00 0.00 C ATOM 840 CD GLN A 50 2.578 29.962 7.344 1.00 0.00 C ATOM 841 OE1 GLN A 50 1.760 30.318 8.168 1.00 0.00 O ATOM 842 NE2 GLN A 50 2.878 30.733 6.337 1.00 0.00 N ATOM 0 H GLN A 50 5.956 27.995 10.387 1.00 0.00 H new ATOM 0 HA GLN A 50 5.083 26.758 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.762 28.285 9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.618 29.633 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.813 28.386 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.540 27.820 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.566 30.428 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.425 31.641 6.237 1.00 0.00 H new ATOM 851 N GLU A 51 7.486 28.908 7.777 1.00 0.00 N ATOM 852 CA GLU A 51 8.401 29.612 6.829 1.00 0.00 C ATOM 853 C GLU A 51 8.841 28.638 5.743 1.00 0.00 C ATOM 854 O GLU A 51 8.932 28.988 4.587 1.00 0.00 O ATOM 855 CB GLU A 51 9.626 30.142 7.588 1.00 0.00 C ATOM 856 CG GLU A 51 10.541 28.975 7.979 1.00 0.00 C ATOM 857 CD GLU A 51 11.528 29.427 9.058 1.00 0.00 C ATOM 858 OE1 GLU A 51 11.821 30.609 9.106 1.00 0.00 O ATOM 859 OE2 GLU A 51 11.974 28.581 9.816 1.00 0.00 O ATOM 0 H GLU A 51 7.801 28.874 8.746 1.00 0.00 H new ATOM 0 HA GLU A 51 7.880 30.453 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.172 30.851 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.307 30.681 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.944 28.140 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.084 28.618 7.104 1.00 0.00 H new ATOM 866 N VAL A 52 9.106 27.420 6.103 1.00 0.00 N ATOM 867 CA VAL A 52 9.523 26.422 5.087 1.00 0.00 C ATOM 868 C VAL A 52 8.420 26.281 4.057 1.00 0.00 C ATOM 869 O VAL A 52 8.669 26.106 2.885 1.00 0.00 O ATOM 870 CB VAL A 52 9.756 25.071 5.763 1.00 0.00 C ATOM 871 CG1 VAL A 52 10.148 24.025 4.717 1.00 0.00 C ATOM 872 CG2 VAL A 52 10.870 25.203 6.799 1.00 0.00 C ATOM 0 H VAL A 52 9.052 27.070 7.060 1.00 0.00 H new ATOM 0 HA VAL A 52 10.444 26.750 4.606 1.00 0.00 H new ATOM 0 HB VAL A 52 8.837 24.755 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.312 23.065 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.348 23.926 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.064 24.338 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.035 24.239 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.788 25.525 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.583 25.939 7.550 1.00 0.00 H new ATOM 882 N VAL A 53 7.203 26.325 4.495 1.00 0.00 N ATOM 883 CA VAL A 53 6.071 26.167 3.562 1.00 0.00 C ATOM 884 C VAL A 53 5.970 27.374 2.636 1.00 0.00 C ATOM 885 O VAL A 53 5.596 27.244 1.501 1.00 0.00 O ATOM 886 CB VAL A 53 4.792 26.015 4.373 1.00 0.00 C ATOM 887 CG1 VAL A 53 3.617 25.771 3.433 1.00 0.00 C ATOM 888 CG2 VAL A 53 4.952 24.833 5.338 1.00 0.00 C ATOM 0 H VAL A 53 6.942 26.465 5.471 1.00 0.00 H new ATOM 0 HA VAL A 53 6.225 25.282 2.944 1.00 0.00 H new ATOM 0 HB VAL A 53 4.602 26.924 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.702 25.662 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.515 26.615 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.793 24.861 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.040 24.716 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.138 23.922 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.792 25.021 6.007 1.00 0.00 H new ATOM 898 N ASP A 54 6.286 28.545 3.108 1.00 0.00 N ATOM 899 CA ASP A 54 6.195 29.745 2.228 1.00 0.00 C ATOM 900 C ASP A 54 7.289 29.687 1.168 1.00 0.00 C ATOM 901 O ASP A 54 7.105 30.108 0.047 1.00 0.00 O ATOM 902 CB ASP A 54 6.347 31.020 3.060 1.00 0.00 C ATOM 903 CG ASP A 54 6.117 32.244 2.168 1.00 0.00 C ATOM 904 OD1 ASP A 54 6.357 32.138 0.977 1.00 0.00 O ATOM 905 OD2 ASP A 54 5.709 33.266 2.694 1.00 0.00 O ATOM 0 H ASP A 54 6.602 28.725 4.061 1.00 0.00 H new ATOM 0 HA ASP A 54 5.220 29.756 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.632 31.017 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.342 31.061 3.503 1.00 0.00 H new ATOM 910 N LYS A 55 8.424 29.164 1.519 1.00 0.00 N ATOM 911 CA LYS A 55 9.543 29.065 0.540 1.00 0.00 C ATOM 912 C LYS A 55 9.156 28.044 -0.518 1.00 0.00 C ATOM 913 O LYS A 55 9.382 28.222 -1.700 1.00 0.00 O ATOM 914 CB LYS A 55 10.816 28.611 1.260 1.00 0.00 C ATOM 915 CG LYS A 55 11.981 28.546 0.263 1.00 0.00 C ATOM 916 CD LYS A 55 13.267 28.092 0.974 1.00 0.00 C ATOM 917 CE LYS A 55 13.944 29.283 1.667 1.00 0.00 C ATOM 918 NZ LYS A 55 14.294 30.316 0.651 1.00 0.00 N ATOM 0 H LYS A 55 8.630 28.797 2.448 1.00 0.00 H new ATOM 0 HA LYS A 55 9.730 30.034 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.055 29.303 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.659 27.633 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.740 27.854 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.135 29.525 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.032 27.322 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.951 27.646 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.278 29.707 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.842 28.952 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.140 30.836 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.486 29.855 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.500 30.979 0.543 1.00 0.00 H new ATOM 932 N VAL A 56 8.541 26.983 -0.088 1.00 0.00 N ATOM 933 CA VAL A 56 8.094 25.940 -1.038 1.00 0.00 C ATOM 934 C VAL A 56 7.006 26.548 -1.909 1.00 0.00 C ATOM 935 O VAL A 56 6.883 26.251 -3.078 1.00 0.00 O ATOM 936 CB VAL A 56 7.550 24.737 -0.248 1.00 0.00 C ATOM 937 CG1 VAL A 56 6.666 23.858 -1.143 1.00 0.00 C ATOM 938 CG2 VAL A 56 8.729 23.908 0.273 1.00 0.00 C ATOM 0 H VAL A 56 8.328 26.794 0.891 1.00 0.00 H new ATOM 0 HA VAL A 56 8.917 25.594 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 56 6.948 25.102 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.291 23.013 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.826 24.445 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.252 23.491 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.353 23.053 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.326 23.556 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.348 24.525 0.924 1.00 0.00 H new ATOM 948 N MET A 57 6.218 27.407 -1.341 1.00 0.00 N ATOM 949 CA MET A 57 5.137 28.041 -2.132 1.00 0.00 C ATOM 950 C MET A 57 5.741 29.001 -3.144 1.00 0.00 C ATOM 951 O MET A 57 5.210 29.199 -4.200 1.00 0.00 O ATOM 952 CB MET A 57 4.155 28.760 -1.214 1.00 0.00 C ATOM 953 CG MET A 57 3.314 27.711 -0.480 1.00 0.00 C ATOM 954 SD MET A 57 2.140 26.954 -1.632 1.00 0.00 S ATOM 955 CE MET A 57 0.836 28.200 -1.496 1.00 0.00 C ATOM 0 H MET A 57 6.275 27.698 -0.365 1.00 0.00 H new ATOM 0 HA MET A 57 4.586 27.269 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.692 29.382 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.512 29.423 -1.793 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.962 26.946 -0.051 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.778 28.175 0.348 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.026 27.813 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.241 29.103 -1.039 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.454 28.437 -2.489 1.00 0.00 H new ATOM 965 N GLU A 58 6.869 29.576 -2.867 1.00 0.00 N ATOM 966 CA GLU A 58 7.468 30.481 -3.881 1.00 0.00 C ATOM 967 C GLU A 58 7.646 29.648 -5.147 1.00 0.00 C ATOM 968 O GLU A 58 7.459 30.109 -6.255 1.00 0.00 O ATOM 969 CB GLU A 58 8.826 30.989 -3.384 1.00 0.00 C ATOM 970 CG GLU A 58 9.449 31.926 -4.425 1.00 0.00 C ATOM 971 CD GLU A 58 8.563 33.160 -4.603 1.00 0.00 C ATOM 972 OE1 GLU A 58 7.767 33.426 -3.718 1.00 0.00 O ATOM 973 OE2 GLU A 58 8.695 33.817 -5.623 1.00 0.00 O ATOM 0 H GLU A 58 7.396 29.464 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 58 6.836 31.349 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.702 31.515 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.492 30.147 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.448 32.226 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.560 31.406 -5.376 1.00 0.00 H new ATOM 980 N THR A 59 7.997 28.409 -4.962 1.00 0.00 N ATOM 981 CA THR A 59 8.188 27.482 -6.107 1.00 0.00 C ATOM 982 C THR A 59 6.834 26.978 -6.643 1.00 0.00 C ATOM 983 O THR A 59 6.610 26.948 -7.837 1.00 0.00 O ATOM 984 CB THR A 59 9.002 26.288 -5.608 1.00 0.00 C ATOM 985 OG1 THR A 59 10.163 26.759 -4.939 1.00 0.00 O ATOM 986 CG2 THR A 59 9.413 25.390 -6.773 1.00 0.00 C ATOM 0 H THR A 59 8.163 27.992 -4.046 1.00 0.00 H new ATOM 0 HA THR A 59 8.700 28.004 -6.915 1.00 0.00 H new ATOM 0 HB THR A 59 8.387 25.706 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.687 25.996 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.991 24.547 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.521 25.021 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.020 25.961 -7.476 1.00 0.00 H new ATOM 994 N LEU A 60 5.942 26.545 -5.779 1.00 0.00 N ATOM 995 CA LEU A 60 4.628 26.007 -6.256 1.00 0.00 C ATOM 996 C LEU A 60 3.595 27.128 -6.382 1.00 0.00 C ATOM 997 O LEU A 60 2.545 26.941 -6.960 1.00 0.00 O ATOM 998 CB LEU A 60 4.114 24.932 -5.284 1.00 0.00 C ATOM 999 CG LEU A 60 4.872 23.601 -5.481 1.00 0.00 C ATOM 1000 CD1 LEU A 60 4.578 22.997 -6.868 1.00 0.00 C ATOM 1001 CD2 LEU A 60 6.380 23.826 -5.325 1.00 0.00 C ATOM 0 H LEU A 60 6.069 26.542 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 60 4.778 25.562 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.237 25.276 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.047 24.774 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 60 4.529 22.901 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.124 22.061 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.509 22.807 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.893 23.696 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.905 22.881 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.720 24.545 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.589 24.212 -4.327 1.00 0.00 H new ATOM 1013 N ASP A 61 3.876 28.297 -5.883 1.00 0.00 N ATOM 1014 CA ASP A 61 2.891 29.405 -6.041 1.00 0.00 C ATOM 1015 C ASP A 61 3.104 29.945 -7.442 1.00 0.00 C ATOM 1016 O ASP A 61 3.521 31.068 -7.648 1.00 0.00 O ATOM 1017 CB ASP A 61 3.124 30.515 -5.012 1.00 0.00 C ATOM 1018 CG ASP A 61 2.021 31.562 -5.146 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.127 31.353 -5.950 1.00 0.00 O ATOM 1020 OD2 ASP A 61 2.088 32.554 -4.442 1.00 0.00 O ATOM 0 H ASP A 61 4.731 28.534 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 61 1.874 29.045 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.127 30.099 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.100 30.975 -5.170 1.00 0.00 H new ATOM 1025 N GLU A 62 2.859 29.112 -8.402 1.00 0.00 N ATOM 1026 CA GLU A 62 3.079 29.494 -9.819 1.00 0.00 C ATOM 1027 C GLU A 62 2.246 30.727 -10.170 1.00 0.00 C ATOM 1028 O GLU A 62 2.700 31.610 -10.871 1.00 0.00 O ATOM 1029 CB GLU A 62 2.655 28.327 -10.703 1.00 0.00 C ATOM 1030 CG GLU A 62 3.275 27.028 -10.171 1.00 0.00 C ATOM 1031 CD GLU A 62 3.063 25.911 -11.195 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.436 26.175 -12.207 1.00 0.00 O ATOM 1033 OE2 GLU A 62 3.533 24.812 -10.950 1.00 0.00 O ATOM 0 H GLU A 62 2.509 28.164 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 62 4.132 29.729 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.568 28.244 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.975 28.501 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.340 27.169 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.818 26.756 -9.219 1.00 0.00 H new ATOM 1040 N ASP A 63 1.036 30.804 -9.693 1.00 0.00 N ATOM 1041 CA ASP A 63 0.194 31.994 -10.010 1.00 0.00 C ATOM 1042 C ASP A 63 0.585 33.147 -9.082 1.00 0.00 C ATOM 1043 O ASP A 63 0.136 34.265 -9.240 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.286 31.645 -9.829 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.598 31.434 -8.347 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.666 31.409 -7.561 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.767 31.305 -8.026 1.00 0.00 O ATOM 0 H ASP A 63 0.594 30.101 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 63 0.356 32.295 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.908 32.445 -10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.526 30.743 -10.391 1.00 0.00 H new ATOM 1052 N GLY A 64 1.439 32.886 -8.127 1.00 0.00 N ATOM 1053 CA GLY A 64 1.884 33.973 -7.201 1.00 0.00 C ATOM 1054 C GLY A 64 0.717 34.447 -6.326 1.00 0.00 C ATOM 1055 O GLY A 64 0.600 35.620 -6.034 1.00 0.00 O ATOM 0 H GLY A 64 1.848 31.969 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.695 33.611 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.278 34.811 -7.777 1.00 0.00 H new ATOM 1059 N ASP A 65 -0.153 33.556 -5.912 1.00 0.00 N ATOM 1060 CA ASP A 65 -1.319 33.970 -5.063 1.00 0.00 C ATOM 1061 C ASP A 65 -1.104 33.522 -3.615 1.00 0.00 C ATOM 1062 O ASP A 65 -1.930 33.759 -2.756 1.00 0.00 O ATOM 1063 CB ASP A 65 -2.580 33.303 -5.605 1.00 0.00 C ATOM 1064 CG ASP A 65 -2.423 31.789 -5.495 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -1.309 31.351 -5.256 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -3.413 31.094 -5.652 1.00 0.00 O ATOM 0 H ASP A 65 -0.107 32.559 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.417 35.055 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.453 33.634 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.742 33.591 -6.644 1.00 0.00 H new ATOM 1071 N GLY A 66 -0.015 32.863 -3.338 1.00 0.00 N ATOM 1072 CA GLY A 66 0.231 32.388 -1.946 1.00 0.00 C ATOM 1073 C GLY A 66 -0.585 31.114 -1.715 1.00 0.00 C ATOM 1074 O GLY A 66 -0.618 30.565 -0.631 1.00 0.00 O ATOM 0 H GLY A 66 0.715 32.632 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.292 32.190 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.055 33.156 -1.228 1.00 0.00 H new ATOM 1078 N GLU A 67 -1.247 30.649 -2.742 1.00 0.00 N ATOM 1079 CA GLU A 67 -2.080 29.414 -2.633 1.00 0.00 C ATOM 1080 C GLU A 67 -1.856 28.564 -3.892 1.00 0.00 C ATOM 1081 O GLU A 67 -1.778 29.083 -4.986 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.555 29.823 -2.559 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.767 30.780 -1.383 1.00 0.00 C ATOM 1084 CD GLU A 67 -5.238 31.196 -1.318 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -5.960 30.898 -2.256 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -5.618 31.807 -0.333 1.00 0.00 O ATOM 0 H GLU A 67 -1.246 31.080 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.807 28.845 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.856 30.303 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.182 28.939 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.474 30.297 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.135 31.660 -1.499 1.00 0.00 H new ATOM 1093 N CYS A 68 -1.767 27.262 -3.754 1.00 0.00 N ATOM 1094 CA CYS A 68 -1.561 26.377 -4.950 1.00 0.00 C ATOM 1095 C CYS A 68 -2.816 25.527 -5.141 1.00 0.00 C ATOM 1096 O CYS A 68 -3.325 24.936 -4.214 1.00 0.00 O ATOM 1097 CB CYS A 68 -0.338 25.478 -4.729 1.00 0.00 C ATOM 1098 SG CYS A 68 -0.399 24.770 -3.063 1.00 0.00 S ATOM 0 H CYS A 68 -1.828 26.771 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 68 -1.385 26.981 -5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.320 24.682 -5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.578 26.055 -4.857 1.00 0.00 H new ATOM 0 HG CYS A 68 0.436 25.402 -2.292 1.00 0.00 H new ATOM 1104 N ASP A 69 -3.335 25.486 -6.335 1.00 0.00 N ATOM 1105 CA ASP A 69 -4.577 24.701 -6.591 1.00 0.00 C ATOM 1106 C ASP A 69 -4.240 23.227 -6.815 1.00 0.00 C ATOM 1107 O ASP A 69 -3.101 22.860 -7.027 1.00 0.00 O ATOM 1108 CB ASP A 69 -5.286 25.268 -7.824 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.364 25.172 -9.038 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -3.202 24.850 -8.851 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.836 25.422 -10.134 1.00 0.00 O ATOM 0 H ASP A 69 -2.951 25.964 -7.150 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.233 24.776 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.208 24.717 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.566 26.307 -7.649 1.00 0.00 H new ATOM 1116 N PHE A 70 -5.233 22.379 -6.770 1.00 0.00 N ATOM 1117 CA PHE A 70 -5.006 20.930 -6.975 1.00 0.00 C ATOM 1118 C PHE A 70 -4.101 20.724 -8.194 1.00 0.00 C ATOM 1119 O PHE A 70 -3.355 19.772 -8.263 1.00 0.00 O ATOM 1120 CB PHE A 70 -6.367 20.264 -7.177 1.00 0.00 C ATOM 1121 CG PHE A 70 -6.196 18.835 -7.628 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -5.426 17.942 -6.870 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.813 18.399 -8.804 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -5.275 16.621 -7.293 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.661 17.082 -9.223 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.892 16.189 -8.472 1.00 0.00 C ATOM 0 H PHE A 70 -6.204 22.639 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.511 20.484 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.934 20.292 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.943 20.819 -7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.950 18.276 -5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.408 19.086 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.682 15.932 -6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.139 16.748 -10.132 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.774 15.167 -8.801 1.00 0.00 H new ATOM 1136 N GLN A 71 -4.149 21.618 -9.147 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.261 21.487 -10.341 1.00 0.00 C ATOM 1138 C GLN A 71 -1.815 21.795 -9.929 1.00 0.00 C ATOM 1139 O GLN A 71 -0.894 21.071 -10.245 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.724 22.475 -11.427 1.00 0.00 C ATOM 1141 CG GLN A 71 -2.608 22.710 -12.458 1.00 0.00 C ATOM 1142 CD GLN A 71 -3.174 23.461 -13.665 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.365 23.439 -13.905 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.365 24.133 -14.439 1.00 0.00 N ATOM 0 H GLN A 71 -4.764 22.432 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.312 20.472 -10.736 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.611 22.085 -11.926 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.007 23.422 -10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.798 23.283 -12.008 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.186 21.757 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.365 24.152 -14.238 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.733 24.639 -15.245 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.612 22.879 -9.241 1.00 0.00 N ATOM 1154 CA GLU A 72 -0.234 23.247 -8.814 1.00 0.00 C ATOM 1155 C GLU A 72 0.261 22.253 -7.762 1.00 0.00 C ATOM 1156 O GLU A 72 1.406 21.845 -7.770 1.00 0.00 O ATOM 1157 CB GLU A 72 -0.251 24.667 -8.241 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.334 25.685 -9.380 1.00 0.00 C ATOM 1159 CD GLU A 72 -0.390 27.099 -8.796 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.664 27.681 -8.600 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -1.487 27.575 -8.554 1.00 0.00 O ATOM 0 H GLU A 72 -2.343 23.530 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 72 0.442 23.214 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.102 24.788 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.648 24.841 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.531 25.585 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.219 25.496 -9.988 1.00 0.00 H new ATOM 1168 N PHE A 73 -0.594 21.853 -6.865 1.00 0.00 N ATOM 1169 CA PHE A 73 -0.178 20.877 -5.822 1.00 0.00 C ATOM 1170 C PHE A 73 0.055 19.520 -6.478 1.00 0.00 C ATOM 1171 O PHE A 73 0.829 18.715 -6.006 1.00 0.00 O ATOM 1172 CB PHE A 73 -1.271 20.738 -4.762 1.00 0.00 C ATOM 1173 CG PHE A 73 -0.850 19.681 -3.771 1.00 0.00 C ATOM 1174 CD1 PHE A 73 -1.182 18.341 -3.999 1.00 0.00 C ATOM 1175 CD2 PHE A 73 -0.110 20.036 -2.637 1.00 0.00 C ATOM 1176 CE1 PHE A 73 -0.779 17.356 -3.092 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.296 19.048 -1.732 1.00 0.00 C ATOM 1178 CZ PHE A 73 -0.040 17.709 -1.960 1.00 0.00 C ATOM 0 H PHE A 73 -1.565 22.160 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 73 0.737 21.230 -5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.429 21.690 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.217 20.464 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.750 18.067 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.147 21.070 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.039 16.322 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.869 19.319 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.272 16.948 -1.260 1.00 0.00 H new ATOM 1188 N MET A 74 -0.617 19.267 -7.563 1.00 0.00 N ATOM 1189 CA MET A 74 -0.455 17.966 -8.262 1.00 0.00 C ATOM 1190 C MET A 74 1.007 17.823 -8.677 1.00 0.00 C ATOM 1191 O MET A 74 1.597 16.759 -8.598 1.00 0.00 O ATOM 1192 CB MET A 74 -1.384 17.939 -9.505 1.00 0.00 C ATOM 1193 CG MET A 74 -2.707 17.186 -9.209 1.00 0.00 C ATOM 1194 SD MET A 74 -2.646 15.522 -9.926 1.00 0.00 S ATOM 1195 CE MET A 74 -1.181 14.908 -9.050 1.00 0.00 C ATOM 0 H MET A 74 -1.277 19.911 -7.999 1.00 0.00 H new ATOM 0 HA MET A 74 -0.726 17.137 -7.609 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.607 18.960 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.868 17.458 -10.336 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.866 17.122 -8.133 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.550 17.739 -9.623 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.038 13.852 -9.277 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.304 15.470 -9.370 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.320 15.033 -7.976 1.00 0.00 H new ATOM 1205 N ALA A 75 1.601 18.882 -9.122 1.00 0.00 N ATOM 1206 CA ALA A 75 3.018 18.791 -9.540 1.00 0.00 C ATOM 1207 C ALA A 75 3.915 18.587 -8.315 1.00 0.00 C ATOM 1208 O ALA A 75 4.936 17.932 -8.387 1.00 0.00 O ATOM 1209 CB ALA A 75 3.412 20.072 -10.282 1.00 0.00 C ATOM 0 H ALA A 75 1.172 19.803 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 75 3.146 17.938 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.455 20.007 -10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.780 20.192 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.282 20.930 -9.622 1.00 0.00 H new ATOM 1215 N PHE A 76 3.551 19.145 -7.197 1.00 0.00 N ATOM 1216 CA PHE A 76 4.392 18.983 -5.974 1.00 0.00 C ATOM 1217 C PHE A 76 4.496 17.505 -5.606 1.00 0.00 C ATOM 1218 O PHE A 76 5.527 17.028 -5.199 1.00 0.00 O ATOM 1219 CB PHE A 76 3.749 19.742 -4.812 1.00 0.00 C ATOM 1220 CG PHE A 76 4.639 19.646 -3.595 1.00 0.00 C ATOM 1221 CD1 PHE A 76 5.893 20.261 -3.611 1.00 0.00 C ATOM 1222 CD2 PHE A 76 4.210 18.960 -2.452 1.00 0.00 C ATOM 1223 CE1 PHE A 76 6.722 20.192 -2.489 1.00 0.00 C ATOM 1224 CE2 PHE A 76 5.042 18.889 -1.328 1.00 0.00 C ATOM 1225 CZ PHE A 76 6.298 19.506 -1.348 1.00 0.00 C ATOM 0 H PHE A 76 2.709 19.707 -7.074 1.00 0.00 H new ATOM 0 HA PHE A 76 5.388 19.378 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.599 20.787 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.766 19.326 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.222 20.791 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.239 18.487 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.691 20.669 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.715 18.358 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.940 19.452 -0.481 1.00 0.00 H new ATOM 1235 N VAL A 77 3.424 16.791 -5.731 1.00 0.00 N ATOM 1236 CA VAL A 77 3.427 15.340 -5.370 1.00 0.00 C ATOM 1237 C VAL A 77 4.439 14.592 -6.227 1.00 0.00 C ATOM 1238 O VAL A 77 5.081 13.671 -5.775 1.00 0.00 O ATOM 1239 CB VAL A 77 2.018 14.738 -5.576 1.00 0.00 C ATOM 1240 CG1 VAL A 77 1.708 13.702 -4.489 1.00 0.00 C ATOM 1241 CG2 VAL A 77 0.985 15.854 -5.513 1.00 0.00 C ATOM 0 H VAL A 77 2.531 17.147 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 77 3.705 15.240 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 77 1.984 14.246 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.712 13.290 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.444 12.899 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.748 14.179 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.011 15.436 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.036 16.342 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.190 16.584 -6.296 1.00 0.00 H new ATOM 1251 N SER A 78 4.572 14.963 -7.463 1.00 0.00 N ATOM 1252 CA SER A 78 5.540 14.249 -8.339 1.00 0.00 C ATOM 1253 C SER A 78 6.964 14.556 -7.884 1.00 0.00 C ATOM 1254 O SER A 78 7.820 13.696 -7.878 1.00 0.00 O ATOM 1255 CB SER A 78 5.347 14.691 -9.792 1.00 0.00 C ATOM 1256 OG SER A 78 4.302 13.924 -10.370 1.00 0.00 O ATOM 0 H SER A 78 4.058 15.724 -7.906 1.00 0.00 H new ATOM 0 HA SER A 78 5.367 13.175 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.103 15.753 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.271 14.554 -10.354 1.00 0.00 H new ATOM 0 HG SER A 78 4.440 13.860 -11.338 1.00 0.00 H new ATOM 1262 N MET A 79 7.228 15.775 -7.515 1.00 0.00 N ATOM 1263 CA MET A 79 8.603 16.126 -7.074 1.00 0.00 C ATOM 1264 C MET A 79 8.996 15.320 -5.834 1.00 0.00 C ATOM 1265 O MET A 79 10.047 14.717 -5.779 1.00 0.00 O ATOM 1266 CB MET A 79 8.662 17.620 -6.741 1.00 0.00 C ATOM 1267 CG MET A 79 8.549 18.447 -8.023 1.00 0.00 C ATOM 1268 SD MET A 79 8.554 20.214 -7.612 1.00 0.00 S ATOM 1269 CE MET A 79 10.191 20.287 -6.840 1.00 0.00 C ATOM 0 H MET A 79 6.555 16.541 -7.499 1.00 0.00 H new ATOM 0 HA MET A 79 9.298 15.892 -7.880 1.00 0.00 H new ATOM 0 HB2 MET A 79 7.854 17.881 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.597 17.851 -6.231 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.379 18.217 -8.690 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.632 18.190 -8.554 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.545 21.318 -6.834 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.127 19.919 -5.816 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.888 19.668 -7.405 1.00 0.00 H new ATOM 1279 N VAL A 80 8.169 15.299 -4.835 1.00 0.00 N ATOM 1280 CA VAL A 80 8.543 14.537 -3.608 1.00 0.00 C ATOM 1281 C VAL A 80 8.563 13.043 -3.909 1.00 0.00 C ATOM 1282 O VAL A 80 9.323 12.294 -3.333 1.00 0.00 O ATOM 1283 CB VAL A 80 7.560 14.819 -2.476 1.00 0.00 C ATOM 1284 CG1 VAL A 80 8.180 14.351 -1.158 1.00 0.00 C ATOM 1285 CG2 VAL A 80 7.281 16.319 -2.400 1.00 0.00 C ATOM 0 H VAL A 80 7.263 15.766 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 80 9.537 14.858 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 80 6.625 14.289 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.487 14.547 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.385 13.282 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.111 14.890 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.579 16.518 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.212 16.853 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.853 16.658 -3.343 1.00 0.00 H new ATOM 1295 N THR A 81 7.737 12.607 -4.808 1.00 0.00 N ATOM 1296 CA THR A 81 7.703 11.162 -5.155 1.00 0.00 C ATOM 1297 C THR A 81 9.071 10.745 -5.673 1.00 0.00 C ATOM 1298 O THR A 81 9.570 9.677 -5.376 1.00 0.00 O ATOM 1299 CB THR A 81 6.655 10.929 -6.240 1.00 0.00 C ATOM 1300 OG1 THR A 81 5.379 11.327 -5.763 1.00 0.00 O ATOM 1301 CG2 THR A 81 6.637 9.450 -6.631 1.00 0.00 C ATOM 0 H THR A 81 7.078 13.191 -5.323 1.00 0.00 H new ATOM 0 HA THR A 81 7.449 10.574 -4.273 1.00 0.00 H new ATOM 0 HB THR A 81 6.904 11.522 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.175 12.229 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.888 9.288 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.618 9.162 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.393 8.846 -5.757 1.00 0.00 H new ATOM 1309 N THR A 82 9.676 11.587 -6.449 1.00 0.00 N ATOM 1310 CA THR A 82 11.011 11.271 -7.005 1.00 0.00 C ATOM 1311 C THR A 82 11.987 11.059 -5.848 1.00 0.00 C ATOM 1312 O THR A 82 12.815 10.167 -5.868 1.00 0.00 O ATOM 1313 CB THR A 82 11.470 12.445 -7.874 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.442 12.767 -8.800 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.729 12.058 -8.644 1.00 0.00 C ATOM 0 H THR A 82 9.298 12.493 -6.726 1.00 0.00 H new ATOM 0 HA THR A 82 10.972 10.367 -7.612 1.00 0.00 H new ATOM 0 HB THR A 82 11.684 13.303 -7.237 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.684 12.160 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.051 12.897 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.521 11.800 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.516 11.200 -9.282 1.00 0.00 H new ATOM 1323 N ALA A 83 11.883 11.864 -4.825 1.00 0.00 N ATOM 1324 CA ALA A 83 12.790 11.700 -3.656 1.00 0.00 C ATOM 1325 C ALA A 83 12.577 10.307 -3.062 1.00 0.00 C ATOM 1326 O ALA A 83 13.506 9.634 -2.667 1.00 0.00 O ATOM 1327 CB ALA A 83 12.462 12.763 -2.603 1.00 0.00 C ATOM 0 H ALA A 83 11.210 12.627 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 83 13.828 11.815 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.126 12.644 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.599 13.755 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.428 12.647 -2.279 1.00 0.00 H new ATOM 1333 N CYS A 84 11.346 9.879 -3.009 1.00 0.00 N ATOM 1334 CA CYS A 84 11.023 8.538 -2.450 1.00 0.00 C ATOM 1335 C CYS A 84 11.733 7.454 -3.261 1.00 0.00 C ATOM 1336 O CYS A 84 12.121 6.430 -2.735 1.00 0.00 O ATOM 1337 CB CYS A 84 9.510 8.325 -2.519 1.00 0.00 C ATOM 1338 SG CYS A 84 8.678 9.852 -2.017 1.00 0.00 S ATOM 0 H CYS A 84 10.539 10.411 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 84 11.358 8.481 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.214 8.050 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.215 7.503 -1.866 1.00 0.00 H new ATOM 0 HG CYS A 84 8.165 9.698 -0.832 1.00 0.00 H new ATOM 1344 N HIS A 85 11.909 7.664 -4.539 1.00 0.00 N ATOM 1345 CA HIS A 85 12.596 6.632 -5.357 1.00 0.00 C ATOM 1346 C HIS A 85 13.994 6.431 -4.785 1.00 0.00 C ATOM 1347 O HIS A 85 14.483 5.325 -4.682 1.00 0.00 O ATOM 1348 CB HIS A 85 12.702 7.100 -6.807 1.00 0.00 C ATOM 1349 CG HIS A 85 13.394 6.042 -7.620 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.254 6.352 -8.665 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.362 4.671 -7.555 1.00 0.00 C ATOM 1352 CE1 HIS A 85 14.700 5.190 -9.181 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.185 4.140 -8.540 1.00 0.00 N ATOM 0 H HIS A 85 11.609 8.498 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 85 12.033 5.699 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.709 7.295 -7.212 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.257 8.037 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.786 4.094 -6.847 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.388 5.118 -10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.359 3.154 -8.733 1.00 0.00 H new ATOM 1362 N GLU A 86 14.634 7.494 -4.388 1.00 0.00 N ATOM 1363 CA GLU A 86 15.993 7.359 -3.803 1.00 0.00 C ATOM 1364 C GLU A 86 15.887 6.473 -2.560 1.00 0.00 C ATOM 1365 O GLU A 86 16.730 5.635 -2.305 1.00 0.00 O ATOM 1366 CB GLU A 86 16.520 8.746 -3.413 1.00 0.00 C ATOM 1367 CG GLU A 86 17.963 8.634 -2.913 1.00 0.00 C ATOM 1368 CD GLU A 86 18.879 8.248 -4.077 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.471 8.432 -5.212 1.00 0.00 O ATOM 1370 OE2 GLU A 86 19.972 7.776 -3.812 1.00 0.00 O ATOM 0 H GLU A 86 14.275 8.447 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 86 16.679 6.914 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.474 9.416 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.889 9.179 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.284 9.582 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.028 7.887 -2.122 1.00 0.00 H new ATOM 1377 N PHE A 87 14.848 6.651 -1.792 1.00 0.00 N ATOM 1378 CA PHE A 87 14.668 5.820 -0.567 1.00 0.00 C ATOM 1379 C PHE A 87 14.160 4.425 -0.947 1.00 0.00 C ATOM 1380 O PHE A 87 14.309 3.479 -0.199 1.00 0.00 O ATOM 1381 CB PHE A 87 13.669 6.492 0.379 1.00 0.00 C ATOM 1382 CG PHE A 87 14.310 7.707 1.008 1.00 0.00 C ATOM 1383 CD1 PHE A 87 15.131 7.558 2.131 1.00 0.00 C ATOM 1384 CD2 PHE A 87 14.092 8.977 0.464 1.00 0.00 C ATOM 1385 CE1 PHE A 87 15.733 8.680 2.713 1.00 0.00 C ATOM 1386 CE2 PHE A 87 14.694 10.100 1.045 1.00 0.00 C ATOM 1387 CZ PHE A 87 15.514 9.951 2.169 1.00 0.00 C ATOM 0 H PHE A 87 14.113 7.338 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 87 15.630 5.724 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.773 6.783 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.356 5.791 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.300 6.577 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.460 9.092 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.366 8.565 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.525 11.081 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 87 15.978 10.817 2.617 1.00 0.00 H new ATOM 1397 N PHE A 88 13.549 4.285 -2.096 1.00 0.00 N ATOM 1398 CA PHE A 88 13.027 2.948 -2.505 1.00 0.00 C ATOM 1399 C PHE A 88 14.144 2.151 -3.178 1.00 0.00 C ATOM 1400 O PHE A 88 14.015 0.967 -3.421 1.00 0.00 O ATOM 1401 CB PHE A 88 11.871 3.129 -3.493 1.00 0.00 C ATOM 1402 CG PHE A 88 11.188 1.800 -3.714 1.00 0.00 C ATOM 1403 CD1 PHE A 88 11.665 0.920 -4.693 1.00 0.00 C ATOM 1404 CD2 PHE A 88 10.076 1.449 -2.939 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.031 -0.312 -4.896 1.00 0.00 C ATOM 1406 CE2 PHE A 88 9.442 0.217 -3.143 1.00 0.00 C ATOM 1407 CZ PHE A 88 9.919 -0.663 -4.120 1.00 0.00 C ATOM 0 H PHE A 88 13.390 5.037 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 88 12.673 2.413 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.158 3.857 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.245 3.520 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.522 1.191 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.707 2.128 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.399 -0.991 -5.651 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.584 -0.054 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.430 -1.613 -4.276 1.00 0.00 H new ATOM 1464 N MET B 0 -6.566 7.763 3.305 1.00 0.00 N ATOM 1465 CA MET B 0 -6.275 8.025 4.742 1.00 0.00 C ATOM 1466 C MET B 0 -4.762 8.071 4.947 1.00 0.00 C ATOM 1467 O MET B 0 -4.179 7.184 5.537 1.00 0.00 O ATOM 1468 CB MET B 0 -6.873 6.904 5.596 1.00 0.00 C ATOM 1469 CG MET B 0 -6.798 7.288 7.075 1.00 0.00 C ATOM 1470 SD MET B 0 -7.519 5.964 8.076 1.00 0.00 S ATOM 1471 CE MET B 0 -7.005 6.596 9.691 1.00 0.00 C ATOM 0 H1 MET B 0 -7.477 8.195 3.051 1.00 0.00 H new ATOM 0 H2 MET B 0 -5.813 8.174 2.718 1.00 0.00 H new ATOM 0 H3 MET B 0 -6.612 6.737 3.141 1.00 0.00 H new ATOM 0 HA MET B 0 -6.714 8.978 5.038 1.00 0.00 H new ATOM 0 HB2 MET B 0 -7.909 6.728 5.308 1.00 0.00 H new ATOM 0 HB3 MET B 0 -6.331 5.974 5.424 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.761 7.456 7.366 1.00 0.00 H new ATOM 0 HG3 MET B 0 -7.333 8.222 7.247 1.00 0.00 H new ATOM 0 HE1 MET B 0 -7.351 5.920 10.473 1.00 0.00 H new ATOM 0 HE2 MET B 0 -5.918 6.665 9.726 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.436 7.585 9.849 1.00 0.00 H new ATOM 1483 N SER B 1 -4.121 9.096 4.454 1.00 0.00 N ATOM 1484 CA SER B 1 -2.639 9.196 4.613 1.00 0.00 C ATOM 1485 C SER B 1 -1.968 7.983 3.959 1.00 0.00 C ATOM 1486 O SER B 1 -0.867 7.604 4.304 1.00 0.00 O ATOM 1487 CB SER B 1 -2.277 9.244 6.100 1.00 0.00 C ATOM 1488 OG SER B 1 -0.948 9.730 6.243 1.00 0.00 O ATOM 0 H SER B 1 -4.557 9.868 3.949 1.00 0.00 H new ATOM 0 HA SER B 1 -2.288 10.108 4.130 1.00 0.00 H new ATOM 0 HB2 SER B 1 -2.973 9.890 6.635 1.00 0.00 H new ATOM 0 HB3 SER B 1 -2.363 8.250 6.540 1.00 0.00 H new ATOM 0 HG SER B 1 -0.583 9.950 5.360 1.00 0.00 H new ATOM 1494 N GLU B 2 -2.626 7.382 3.006 1.00 0.00 N ATOM 1495 CA GLU B 2 -2.042 6.202 2.303 1.00 0.00 C ATOM 1496 C GLU B 2 -0.981 6.683 1.324 1.00 0.00 C ATOM 1497 O GLU B 2 -0.484 5.935 0.508 1.00 0.00 O ATOM 1498 CB GLU B 2 -3.144 5.469 1.549 1.00 0.00 C ATOM 1499 CG GLU B 2 -4.163 4.961 2.561 1.00 0.00 C ATOM 1500 CD GLU B 2 -5.199 4.082 1.858 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -6.194 4.620 1.403 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.979 2.883 1.790 1.00 0.00 O ATOM 0 H GLU B 2 -3.552 7.660 2.681 1.00 0.00 H new ATOM 0 HA GLU B 2 -1.589 5.524 3.026 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -3.622 6.137 0.832 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.727 4.638 0.981 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -3.660 4.392 3.343 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -4.657 5.802 3.047 1.00 0.00 H new ATOM 1509 N LEU B 3 -0.643 7.936 1.394 1.00 0.00 N ATOM 1510 CA LEU B 3 0.375 8.498 0.464 1.00 0.00 C ATOM 1511 C LEU B 3 1.572 7.549 0.392 1.00 0.00 C ATOM 1512 O LEU B 3 2.297 7.523 -0.572 1.00 0.00 O ATOM 1513 CB LEU B 3 0.806 9.882 0.998 1.00 0.00 C ATOM 1514 CG LEU B 3 1.832 10.593 0.077 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.258 10.003 0.233 1.00 0.00 C ATOM 1516 CD2 LEU B 3 1.370 10.514 -1.387 1.00 0.00 C ATOM 0 H LEU B 3 -1.031 8.603 2.061 1.00 0.00 H new ATOM 0 HA LEU B 3 -0.036 8.609 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -0.075 10.514 1.107 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.238 9.764 1.992 1.00 0.00 H new ATOM 0 HG LEU B 3 1.882 11.639 0.380 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.944 10.530 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.589 10.119 1.265 1.00 0.00 H new ATOM 0 HD13 LEU B 3 3.244 8.944 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 3 2.097 11.016 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU B 3 1.285 9.469 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU B 3 0.400 11.001 -1.489 1.00 0.00 H new ATOM 1528 N GLU B 4 1.779 6.767 1.407 1.00 0.00 N ATOM 1529 CA GLU B 4 2.931 5.819 1.393 1.00 0.00 C ATOM 1530 C GLU B 4 2.741 4.754 0.315 1.00 0.00 C ATOM 1531 O GLU B 4 3.682 4.361 -0.345 1.00 0.00 O ATOM 1532 CB GLU B 4 3.058 5.158 2.766 1.00 0.00 C ATOM 1533 CG GLU B 4 3.537 6.197 3.781 1.00 0.00 C ATOM 1534 CD GLU B 4 3.667 5.546 5.158 1.00 0.00 C ATOM 1535 OE1 GLU B 4 3.260 4.404 5.293 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.169 6.202 6.056 1.00 0.00 O ATOM 0 H GLU B 4 1.203 6.739 2.248 1.00 0.00 H new ATOM 0 HA GLU B 4 3.842 6.373 1.167 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.097 4.746 3.075 1.00 0.00 H new ATOM 0 HB3 GLU B 4 3.761 4.326 2.719 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.497 6.608 3.470 1.00 0.00 H new ATOM 0 HG3 GLU B 4 2.833 7.028 3.825 1.00 0.00 H new ATOM 1543 N LYS B 5 1.547 4.267 0.135 1.00 0.00 N ATOM 1544 CA LYS B 5 1.333 3.214 -0.899 1.00 0.00 C ATOM 1545 C LYS B 5 1.232 3.863 -2.280 1.00 0.00 C ATOM 1546 O LYS B 5 1.555 3.263 -3.282 1.00 0.00 O ATOM 1547 CB LYS B 5 0.050 2.412 -0.572 1.00 0.00 C ATOM 1548 CG LYS B 5 -1.213 3.106 -1.111 1.00 0.00 C ATOM 1549 CD LYS B 5 -2.448 2.350 -0.615 1.00 0.00 C ATOM 1550 CE LYS B 5 -3.714 2.996 -1.183 1.00 0.00 C ATOM 1551 NZ LYS B 5 -3.873 2.607 -2.613 1.00 0.00 N ATOM 0 H LYS B 5 0.715 4.548 0.653 1.00 0.00 H new ATOM 0 HA LYS B 5 2.178 2.525 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.127 1.413 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.036 2.289 0.508 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -1.246 4.142 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -1.196 3.125 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -2.393 1.305 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.480 2.362 0.474 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.585 2.679 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.652 4.081 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.805 2.917 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.128 3.059 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.798 1.574 -2.702 1.00 0.00 H new ATOM 1565 N ALA B 6 0.745 5.071 -2.340 1.00 0.00 N ATOM 1566 CA ALA B 6 0.583 5.742 -3.659 1.00 0.00 C ATOM 1567 C ALA B 6 1.929 6.110 -4.279 1.00 0.00 C ATOM 1568 O ALA B 6 2.127 5.946 -5.463 1.00 0.00 O ATOM 1569 CB ALA B 6 -0.266 7.002 -3.486 1.00 0.00 C ATOM 0 H ALA B 6 0.452 5.622 -1.533 1.00 0.00 H new ATOM 0 HA ALA B 6 0.088 5.043 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.386 7.495 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -1.246 6.730 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA B 6 0.228 7.681 -2.790 1.00 0.00 H new ATOM 1575 N MET B 7 2.853 6.610 -3.515 1.00 0.00 N ATOM 1576 CA MET B 7 4.170 6.975 -4.114 1.00 0.00 C ATOM 1577 C MET B 7 4.952 5.710 -4.445 1.00 0.00 C ATOM 1578 O MET B 7 5.671 5.655 -5.422 1.00 0.00 O ATOM 1579 CB MET B 7 4.986 7.867 -3.156 1.00 0.00 C ATOM 1580 CG MET B 7 4.555 9.331 -3.306 1.00 0.00 C ATOM 1581 SD MET B 7 5.592 10.384 -2.257 1.00 0.00 S ATOM 1582 CE MET B 7 4.925 11.983 -2.792 1.00 0.00 C ATOM 0 H MET B 7 2.761 6.782 -2.514 1.00 0.00 H new ATOM 0 HA MET B 7 3.989 7.539 -5.029 1.00 0.00 H new ATOM 0 HB2 MET B 7 4.838 7.540 -2.127 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.050 7.769 -3.372 1.00 0.00 H new ATOM 0 HG2 MET B 7 4.642 9.641 -4.347 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.507 9.442 -3.027 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.608 12.441 -3.508 1.00 0.00 H new ATOM 0 HE2 MET B 7 3.953 11.833 -3.262 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.813 12.638 -1.928 1.00 0.00 H new ATOM 1592 N VAL B 8 4.834 4.699 -3.639 1.00 0.00 N ATOM 1593 CA VAL B 8 5.598 3.452 -3.928 1.00 0.00 C ATOM 1594 C VAL B 8 5.086 2.824 -5.230 1.00 0.00 C ATOM 1595 O VAL B 8 5.848 2.308 -6.021 1.00 0.00 O ATOM 1596 CB VAL B 8 5.453 2.452 -2.774 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.044 1.096 -3.193 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.201 2.975 -1.541 1.00 0.00 C ATOM 0 H VAL B 8 4.251 4.676 -2.802 1.00 0.00 H new ATOM 0 HA VAL B 8 6.653 3.704 -4.037 1.00 0.00 H new ATOM 0 HB VAL B 8 4.397 2.331 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL B 8 5.941 0.385 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.511 0.721 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.099 1.219 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.096 2.263 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.257 3.099 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.782 3.936 -1.242 1.00 0.00 H new ATOM 1608 N ALA B 9 3.800 2.839 -5.440 1.00 0.00 N ATOM 1609 CA ALA B 9 3.229 2.220 -6.675 1.00 0.00 C ATOM 1610 C ALA B 9 3.548 3.063 -7.905 1.00 0.00 C ATOM 1611 O ALA B 9 3.813 2.545 -8.969 1.00 0.00 O ATOM 1612 CB ALA B 9 1.718 2.095 -6.539 1.00 0.00 C ATOM 0 H ALA B 9 3.115 3.254 -4.809 1.00 0.00 H new ATOM 0 HA ALA B 9 3.677 1.234 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.308 1.643 -7.442 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.481 1.468 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.282 3.084 -6.398 1.00 0.00 H new ATOM 1618 N LEU B 10 3.503 4.356 -7.780 1.00 0.00 N ATOM 1619 CA LEU B 10 3.781 5.217 -8.958 1.00 0.00 C ATOM 1620 C LEU B 10 5.193 4.902 -9.445 1.00 0.00 C ATOM 1621 O LEU B 10 5.460 4.806 -10.626 1.00 0.00 O ATOM 1622 CB LEU B 10 3.695 6.692 -8.523 1.00 0.00 C ATOM 1623 CG LEU B 10 3.353 7.587 -9.734 1.00 0.00 C ATOM 1624 CD1 LEU B 10 1.828 7.697 -9.874 1.00 0.00 C ATOM 1625 CD2 LEU B 10 3.951 8.986 -9.531 1.00 0.00 C ATOM 0 H LEU B 10 3.286 4.853 -6.916 1.00 0.00 H new ATOM 0 HA LEU B 10 3.061 5.036 -9.756 1.00 0.00 H new ATOM 0 HB2 LEU B 10 2.935 6.807 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.643 7.006 -8.086 1.00 0.00 H new ATOM 0 HG LEU B 10 3.772 7.145 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.586 8.329 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.404 6.704 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.410 8.136 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.707 9.614 -10.388 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.537 9.431 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU B 10 5.034 8.908 -9.435 1.00 0.00 H new ATOM 1637 N ILE B 11 6.086 4.721 -8.522 1.00 0.00 N ATOM 1638 CA ILE B 11 7.490 4.389 -8.867 1.00 0.00 C ATOM 1639 C ILE B 11 7.575 2.988 -9.494 1.00 0.00 C ATOM 1640 O ILE B 11 8.334 2.762 -10.414 1.00 0.00 O ATOM 1641 CB ILE B 11 8.338 4.479 -7.590 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.471 5.961 -7.195 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.721 3.868 -7.820 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.095 6.111 -5.797 1.00 0.00 C ATOM 0 H ILE B 11 5.899 4.790 -7.522 1.00 0.00 H new ATOM 0 HA ILE B 11 7.871 5.096 -9.604 1.00 0.00 H new ATOM 0 HB ILE B 11 7.854 3.921 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.087 6.482 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE B 11 7.489 6.434 -7.210 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.308 3.941 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.614 2.820 -8.100 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.228 4.407 -8.620 1.00 0.00 H new ATOM 0 HD11 ILE B 11 9.176 7.169 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE B 11 8.465 5.611 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.087 5.660 -5.791 1.00 0.00 H new ATOM 1656 N ASP B 12 6.829 2.038 -8.991 1.00 0.00 N ATOM 1657 CA ASP B 12 6.907 0.652 -9.554 1.00 0.00 C ATOM 1658 C ASP B 12 6.527 0.629 -11.040 1.00 0.00 C ATOM 1659 O ASP B 12 7.128 -0.073 -11.830 1.00 0.00 O ATOM 1660 CB ASP B 12 5.931 -0.253 -8.798 1.00 0.00 C ATOM 1661 CG ASP B 12 6.438 -0.484 -7.373 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.624 -0.303 -7.151 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.632 -0.840 -6.528 1.00 0.00 O ATOM 0 H ASP B 12 6.173 2.158 -8.220 1.00 0.00 H new ATOM 0 HA ASP B 12 7.934 0.303 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.942 0.204 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.828 -1.206 -9.316 1.00 0.00 H new ATOM 1668 N VAL B 13 5.515 1.357 -11.420 1.00 0.00 N ATOM 1669 CA VAL B 13 5.070 1.341 -12.846 1.00 0.00 C ATOM 1670 C VAL B 13 6.112 2.033 -13.742 1.00 0.00 C ATOM 1671 O VAL B 13 6.409 1.585 -14.839 1.00 0.00 O ATOM 1672 CB VAL B 13 3.677 2.036 -12.923 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.768 3.457 -13.504 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.715 1.205 -13.778 1.00 0.00 C ATOM 0 H VAL B 13 4.974 1.965 -10.805 1.00 0.00 H new ATOM 0 HA VAL B 13 4.978 0.318 -13.210 1.00 0.00 H new ATOM 0 HB VAL B 13 3.303 2.110 -11.902 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.773 3.901 -13.538 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.416 4.067 -12.874 1.00 0.00 H new ATOM 0 HG13 VAL B 13 4.180 3.412 -14.512 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.746 1.702 -13.823 1.00 0.00 H new ATOM 0 HG22 VAL B 13 3.118 1.104 -14.786 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.595 0.217 -13.334 1.00 0.00 H new ATOM 1684 N PHE B 14 6.672 3.112 -13.281 1.00 0.00 N ATOM 1685 CA PHE B 14 7.689 3.826 -14.096 1.00 0.00 C ATOM 1686 C PHE B 14 8.857 2.891 -14.375 1.00 0.00 C ATOM 1687 O PHE B 14 9.404 2.883 -15.448 1.00 0.00 O ATOM 1688 CB PHE B 14 8.181 5.061 -13.336 1.00 0.00 C ATOM 1689 CG PHE B 14 9.302 5.719 -14.106 1.00 0.00 C ATOM 1690 CD1 PHE B 14 9.014 6.616 -15.140 1.00 0.00 C ATOM 1691 CD2 PHE B 14 10.633 5.437 -13.777 1.00 0.00 C ATOM 1692 CE1 PHE B 14 10.057 7.229 -15.847 1.00 0.00 C ATOM 1693 CE2 PHE B 14 11.674 6.048 -14.482 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.387 6.944 -15.518 1.00 0.00 C ATOM 0 H PHE B 14 6.469 3.531 -12.374 1.00 0.00 H new ATOM 0 HA PHE B 14 7.246 4.142 -15.040 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.361 5.765 -13.196 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.528 4.775 -12.343 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.988 6.836 -15.393 1.00 0.00 H new ATOM 0 HD2 PHE B 14 10.856 4.746 -12.977 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.835 7.921 -16.646 1.00 0.00 H new ATOM 0 HE2 PHE B 14 12.700 5.828 -14.227 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.191 7.415 -16.063 1.00 0.00 H new ATOM 1704 N HIS B 15 9.248 2.116 -13.411 1.00 0.00 N ATOM 1705 CA HIS B 15 10.390 1.184 -13.609 1.00 0.00 C ATOM 1706 C HIS B 15 10.089 0.167 -14.716 1.00 0.00 C ATOM 1707 O HIS B 15 10.974 -0.238 -15.444 1.00 0.00 O ATOM 1708 CB HIS B 15 10.680 0.452 -12.299 1.00 0.00 C ATOM 1709 CG HIS B 15 11.846 -0.478 -12.488 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.695 -1.758 -13.002 1.00 0.00 N ATOM 1711 CD2 HIS B 15 13.188 -0.333 -12.228 1.00 0.00 C ATOM 1712 CE1 HIS B 15 12.914 -2.329 -13.032 1.00 0.00 C ATOM 1713 NE2 HIS B 15 13.855 -1.502 -12.572 1.00 0.00 N ATOM 0 H HIS B 15 8.823 2.086 -12.484 1.00 0.00 H new ATOM 0 HA HIS B 15 11.262 1.764 -13.911 1.00 0.00 H new ATOM 0 HB2 HIS B 15 10.900 1.171 -11.510 1.00 0.00 H new ATOM 0 HB3 HIS B 15 9.801 -0.110 -11.983 1.00 0.00 H new ATOM 0 HD2 HIS B 15 13.652 0.553 -11.820 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.106 -3.332 -13.384 1.00 0.00 H new ATOM 0 HE2 HIS B 15 14.854 -1.689 -12.490 1.00 0.00 H new ATOM 1722 N GLN B 16 8.867 -0.281 -14.838 1.00 0.00 N ATOM 1723 CA GLN B 16 8.564 -1.298 -15.884 1.00 0.00 C ATOM 1724 C GLN B 16 8.887 -0.756 -17.278 1.00 0.00 C ATOM 1725 O GLN B 16 9.390 -1.471 -18.123 1.00 0.00 O ATOM 1726 CB GLN B 16 7.076 -1.645 -15.835 1.00 0.00 C ATOM 1727 CG GLN B 16 6.767 -2.433 -14.562 1.00 0.00 C ATOM 1728 CD GLN B 16 7.385 -3.828 -14.664 1.00 0.00 C ATOM 1729 OE1 GLN B 16 7.323 -4.457 -15.702 1.00 0.00 O ATOM 1730 NE2 GLN B 16 7.977 -4.346 -13.623 1.00 0.00 N ATOM 0 H GLN B 16 8.075 0.010 -14.265 1.00 0.00 H new ATOM 0 HA GLN B 16 9.173 -2.181 -15.691 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.480 -0.733 -15.862 1.00 0.00 H new ATOM 0 HB3 GLN B 16 6.801 -2.231 -16.712 1.00 0.00 H new ATOM 0 HG2 GLN B 16 7.165 -1.910 -13.692 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.689 -2.510 -14.422 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.030 -3.819 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.387 -5.278 -13.681 1.00 0.00 H new ATOM 1739 N TYR B 17 8.583 0.485 -17.546 1.00 0.00 N ATOM 1740 CA TYR B 17 8.858 1.032 -18.914 1.00 0.00 C ATOM 1741 C TYR B 17 10.289 1.563 -19.044 1.00 0.00 C ATOM 1742 O TYR B 17 10.885 1.491 -20.100 1.00 0.00 O ATOM 1743 CB TYR B 17 7.849 2.143 -19.211 1.00 0.00 C ATOM 1744 CG TYR B 17 6.544 1.506 -19.614 1.00 0.00 C ATOM 1745 CD1 TYR B 17 6.323 1.201 -20.957 1.00 0.00 C ATOM 1746 CD2 TYR B 17 5.575 1.205 -18.654 1.00 0.00 C ATOM 1747 CE1 TYR B 17 5.132 0.590 -21.351 1.00 0.00 C ATOM 1748 CE2 TYR B 17 4.376 0.597 -19.042 1.00 0.00 C ATOM 1749 CZ TYR B 17 4.153 0.287 -20.391 1.00 0.00 C ATOM 1750 OH TYR B 17 2.973 -0.319 -20.769 1.00 0.00 O ATOM 0 H TYR B 17 8.161 1.140 -16.888 1.00 0.00 H new ATOM 0 HA TYR B 17 8.754 0.224 -19.638 1.00 0.00 H new ATOM 0 HB2 TYR B 17 7.708 2.772 -18.332 1.00 0.00 H new ATOM 0 HB3 TYR B 17 8.219 2.788 -20.009 1.00 0.00 H new ATOM 0 HD1 TYR B 17 7.076 1.438 -21.694 1.00 0.00 H new ATOM 0 HD2 TYR B 17 5.751 1.441 -17.615 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.964 0.351 -22.391 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.623 0.367 -18.303 1.00 0.00 H new ATOM 0 HH TYR B 17 2.409 -0.458 -19.980 1.00 0.00 H new ATOM 1760 N SER B 18 10.844 2.105 -18.005 1.00 0.00 N ATOM 1761 CA SER B 18 12.228 2.644 -18.112 1.00 0.00 C ATOM 1762 C SER B 18 13.185 1.520 -18.506 1.00 0.00 C ATOM 1763 O SER B 18 14.085 1.706 -19.300 1.00 0.00 O ATOM 1764 CB SER B 18 12.656 3.223 -16.765 1.00 0.00 C ATOM 1765 OG SER B 18 12.955 2.158 -15.873 1.00 0.00 O ATOM 0 H SER B 18 10.406 2.200 -17.089 1.00 0.00 H new ATOM 0 HA SER B 18 12.253 3.427 -18.870 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.529 3.863 -16.892 1.00 0.00 H new ATOM 0 HB3 SER B 18 11.861 3.845 -16.354 1.00 0.00 H new ATOM 0 HG SER B 18 12.198 1.537 -15.840 1.00 0.00 H new ATOM 1771 N GLY B 19 13.000 0.354 -17.954 1.00 0.00 N ATOM 1772 CA GLY B 19 13.898 -0.791 -18.290 1.00 0.00 C ATOM 1773 C GLY B 19 13.426 -1.477 -19.577 1.00 0.00 C ATOM 1774 O GLY B 19 13.943 -2.506 -19.963 1.00 0.00 O ATOM 0 H GLY B 19 12.263 0.142 -17.282 1.00 0.00 H new ATOM 0 HA2 GLY B 19 14.921 -0.436 -18.413 1.00 0.00 H new ATOM 0 HA3 GLY B 19 13.906 -1.508 -17.469 1.00 0.00 H new ATOM 1778 N ARG B 20 12.435 -0.937 -20.235 1.00 0.00 N ATOM 1779 CA ARG B 20 11.929 -1.589 -21.480 1.00 0.00 C ATOM 1780 C ARG B 20 13.046 -1.684 -22.527 1.00 0.00 C ATOM 1781 O ARG B 20 13.256 -2.723 -23.121 1.00 0.00 O ATOM 1782 CB ARG B 20 10.752 -0.776 -22.034 1.00 0.00 C ATOM 1783 CG ARG B 20 10.321 -1.304 -23.413 1.00 0.00 C ATOM 1784 CD ARG B 20 10.022 -2.804 -23.342 1.00 0.00 C ATOM 1785 NE ARG B 20 9.303 -3.219 -24.581 1.00 0.00 N ATOM 1786 CZ ARG B 20 9.182 -4.484 -24.876 1.00 0.00 C ATOM 1787 NH1 ARG B 20 9.679 -5.390 -24.080 1.00 0.00 N ATOM 1788 NH2 ARG B 20 8.561 -4.844 -25.967 1.00 0.00 N ATOM 0 H ARG B 20 11.956 -0.077 -19.967 1.00 0.00 H new ATOM 0 HA ARG B 20 11.594 -2.599 -21.245 1.00 0.00 H new ATOM 0 HB2 ARG B 20 9.912 -0.827 -21.342 1.00 0.00 H new ATOM 0 HB3 ARG B 20 11.035 0.273 -22.114 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.437 -0.766 -23.755 1.00 0.00 H new ATOM 0 HG3 ARG B 20 11.109 -1.118 -24.143 1.00 0.00 H new ATOM 0 HD2 ARG B 20 10.949 -3.368 -23.239 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.416 -3.025 -22.464 1.00 0.00 H new ATOM 0 HE ARG B 20 8.905 -2.512 -25.199 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.162 -5.109 -23.227 1.00 0.00 H new ATOM 0 HH12 ARG B 20 9.584 -6.379 -24.311 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.170 -4.136 -26.589 1.00 0.00 H new ATOM 0 HH22 ARG B 20 8.467 -5.833 -26.197 1.00 0.00 H new ATOM 1802 N GLU B 21 13.764 -0.614 -22.762 1.00 0.00 N ATOM 1803 CA GLU B 21 14.867 -0.655 -23.779 1.00 0.00 C ATOM 1804 C GLU B 21 16.208 -0.835 -23.068 1.00 0.00 C ATOM 1805 O GLU B 21 16.961 -1.739 -23.375 1.00 0.00 O ATOM 1806 CB GLU B 21 14.895 0.656 -24.575 1.00 0.00 C ATOM 1807 CG GLU B 21 15.945 0.552 -25.687 1.00 0.00 C ATOM 1808 CD GLU B 21 15.981 1.853 -26.491 1.00 0.00 C ATOM 1809 OE1 GLU B 21 15.102 2.675 -26.291 1.00 0.00 O ATOM 1810 OE2 GLU B 21 16.885 2.004 -27.296 1.00 0.00 O ATOM 0 H GLU B 21 13.637 0.285 -22.297 1.00 0.00 H new ATOM 0 HA GLU B 21 14.692 -1.488 -24.459 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.913 0.855 -25.004 1.00 0.00 H new ATOM 0 HB3 GLU B 21 15.130 1.491 -23.915 1.00 0.00 H new ATOM 0 HG2 GLU B 21 16.926 0.353 -25.256 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.710 -0.286 -26.344 1.00 0.00 H new ATOM 1817 N GLY B 22 16.518 0.009 -22.122 1.00 0.00 N ATOM 1818 CA GLY B 22 17.816 -0.139 -21.406 1.00 0.00 C ATOM 1819 C GLY B 22 18.136 1.130 -20.611 1.00 0.00 C ATOM 1820 O GLY B 22 18.897 1.094 -19.664 1.00 0.00 O ATOM 0 H GLY B 22 15.934 0.788 -21.816 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.772 -0.995 -20.733 1.00 0.00 H new ATOM 0 HA3 GLY B 22 18.613 -0.337 -22.123 1.00 0.00 H new ATOM 1824 N ASP B 23 17.572 2.253 -20.976 1.00 0.00 N ATOM 1825 CA ASP B 23 17.869 3.503 -20.218 1.00 0.00 C ATOM 1826 C ASP B 23 16.982 3.560 -18.972 1.00 0.00 C ATOM 1827 O ASP B 23 15.988 4.256 -18.932 1.00 0.00 O ATOM 1828 CB ASP B 23 17.593 4.720 -21.104 1.00 0.00 C ATOM 1829 CG ASP B 23 18.645 4.793 -22.213 1.00 0.00 C ATOM 1830 OD1 ASP B 23 19.692 4.189 -22.051 1.00 0.00 O ATOM 1831 OD2 ASP B 23 18.384 5.451 -23.207 1.00 0.00 O ATOM 0 H ASP B 23 16.925 2.357 -21.758 1.00 0.00 H new ATOM 0 HA ASP B 23 18.917 3.509 -19.920 1.00 0.00 H new ATOM 0 HB2 ASP B 23 16.596 4.648 -21.538 1.00 0.00 H new ATOM 0 HB3 ASP B 23 17.616 5.631 -20.506 1.00 0.00 H new ATOM 1836 N LYS B 24 17.339 2.824 -17.957 1.00 0.00 N ATOM 1837 CA LYS B 24 16.530 2.817 -16.706 1.00 0.00 C ATOM 1838 C LYS B 24 16.569 4.202 -16.049 1.00 0.00 C ATOM 1839 O LYS B 24 15.584 4.676 -15.517 1.00 0.00 O ATOM 1840 CB LYS B 24 17.111 1.775 -15.744 1.00 0.00 C ATOM 1841 CG LYS B 24 16.265 1.725 -14.466 1.00 0.00 C ATOM 1842 CD LYS B 24 16.689 0.535 -13.589 1.00 0.00 C ATOM 1843 CE LYS B 24 17.953 0.887 -12.795 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.673 2.055 -11.912 1.00 0.00 N ATOM 0 H LYS B 24 18.163 2.223 -17.940 1.00 0.00 H new ATOM 0 HA LYS B 24 15.495 2.568 -16.942 1.00 0.00 H new ATOM 0 HB2 LYS B 24 17.127 0.795 -16.220 1.00 0.00 H new ATOM 0 HB3 LYS B 24 18.143 2.027 -15.499 1.00 0.00 H new ATOM 0 HG2 LYS B 24 16.381 2.655 -13.909 1.00 0.00 H new ATOM 0 HG3 LYS B 24 15.210 1.637 -14.724 1.00 0.00 H new ATOM 0 HD2 LYS B 24 15.882 0.272 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS B 24 16.874 -0.339 -14.214 1.00 0.00 H new ATOM 0 HE2 LYS B 24 18.270 0.033 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS B 24 18.771 1.120 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 18.290 2.014 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 17.856 2.936 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 16.678 2.031 -11.610 1.00 0.00 H new ATOM 1858 N HIS B 25 17.708 4.841 -16.058 1.00 0.00 N ATOM 1859 CA HIS B 25 17.825 6.181 -15.411 1.00 0.00 C ATOM 1860 C HIS B 25 17.270 7.284 -16.319 1.00 0.00 C ATOM 1861 O HIS B 25 17.111 8.412 -15.895 1.00 0.00 O ATOM 1862 CB HIS B 25 19.298 6.469 -15.117 1.00 0.00 C ATOM 1863 CG HIS B 25 20.055 6.572 -16.413 1.00 0.00 C ATOM 1864 ND1 HIS B 25 20.503 5.617 -17.294 1.00 0.00 N flip ATOM 1865 CD2 HIS B 25 20.442 7.793 -16.948 1.00 0.00 C flip ATOM 1866 CE1 HIS B 25 21.154 6.236 -18.355 1.00 0.00 C flip ATOM 1867 NE2 HIS B 25 21.092 7.544 -18.100 1.00 0.00 N flip ATOM 0 H HIS B 25 18.565 4.492 -16.487 1.00 0.00 H new ATOM 0 HA HIS B 25 17.246 6.170 -14.488 1.00 0.00 H new ATOM 0 HB2 HIS B 25 19.393 7.397 -14.553 1.00 0.00 H new ATOM 0 HB3 HIS B 25 19.719 5.676 -14.499 1.00 0.00 H new ATOM 0 HD2 HIS B 25 20.255 8.766 -16.518 1.00 0.00 H new ATOM 0 HE1 HIS B 25 21.614 5.758 -19.207 1.00 0.00 H new ATOM 0 HE2 HIS B 25 21.488 8.265 -18.703 1.00 0.00 H new ATOM 1876 N LYS B 26 16.978 6.987 -17.561 1.00 0.00 N ATOM 1877 CA LYS B 26 16.440 8.046 -18.477 1.00 0.00 C ATOM 1878 C LYS B 26 15.367 7.455 -19.389 1.00 0.00 C ATOM 1879 O LYS B 26 15.487 6.353 -19.884 1.00 0.00 O ATOM 1880 CB LYS B 26 17.580 8.622 -19.318 1.00 0.00 C ATOM 1881 CG LYS B 26 17.073 9.843 -20.090 1.00 0.00 C ATOM 1882 CD LYS B 26 18.192 10.408 -20.976 1.00 0.00 C ATOM 1883 CE LYS B 26 19.372 10.889 -20.118 1.00 0.00 C ATOM 1884 NZ LYS B 26 18.869 11.543 -18.874 1.00 0.00 N ATOM 0 H LYS B 26 17.087 6.064 -17.980 1.00 0.00 H new ATOM 0 HA LYS B 26 15.994 8.842 -17.881 1.00 0.00 H new ATOM 0 HB2 LYS B 26 18.414 8.904 -18.676 1.00 0.00 H new ATOM 0 HB3 LYS B 26 17.952 7.868 -20.011 1.00 0.00 H new ATOM 0 HG2 LYS B 26 16.217 9.565 -20.705 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.730 10.607 -19.393 1.00 0.00 H new ATOM 0 HD2 LYS B 26 18.531 9.643 -21.674 1.00 0.00 H new ATOM 0 HD3 LYS B 26 17.808 11.236 -21.572 1.00 0.00 H new ATOM 0 HE2 LYS B 26 20.013 10.045 -19.861 1.00 0.00 H new ATOM 0 HE3 LYS B 26 19.982 11.591 -20.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 19.588 12.202 -18.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.995 12.066 -19.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 18.673 10.817 -18.155 1.00 0.00 H new ATOM 1898 N LEU B 27 14.314 8.196 -19.608 1.00 0.00 N ATOM 1899 CA LEU B 27 13.198 7.723 -20.479 1.00 0.00 C ATOM 1900 C LEU B 27 13.244 8.532 -21.780 1.00 0.00 C ATOM 1901 O LEU B 27 13.312 9.742 -21.751 1.00 0.00 O ATOM 1902 CB LEU B 27 11.884 7.992 -19.734 1.00 0.00 C ATOM 1903 CG LEU B 27 10.697 7.316 -20.437 1.00 0.00 C ATOM 1904 CD1 LEU B 27 10.610 5.837 -20.034 1.00 0.00 C ATOM 1905 CD2 LEU B 27 9.402 8.020 -20.021 1.00 0.00 C ATOM 0 H LEU B 27 14.178 9.126 -19.213 1.00 0.00 H new ATOM 0 HA LEU B 27 13.280 6.661 -20.708 1.00 0.00 H new ATOM 0 HB2 LEU B 27 11.961 7.624 -18.711 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.710 9.066 -19.674 1.00 0.00 H new ATOM 0 HG LEU B 27 10.838 7.385 -21.516 1.00 0.00 H new ATOM 0 HD11 LEU B 27 9.764 5.371 -20.540 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.530 5.327 -20.320 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.474 5.761 -18.955 1.00 0.00 H new ATOM 0 HD21 LEU B 27 8.555 7.546 -20.516 1.00 0.00 H new ATOM 0 HD22 LEU B 27 9.279 7.946 -18.941 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.450 9.070 -20.310 1.00 0.00 H new ATOM 1917 N LYS B 28 13.234 7.889 -22.923 1.00 0.00 N ATOM 1918 CA LYS B 28 13.305 8.646 -24.210 1.00 0.00 C ATOM 1919 C LYS B 28 11.898 8.826 -24.782 1.00 0.00 C ATOM 1920 O LYS B 28 10.995 8.070 -24.481 1.00 0.00 O ATOM 1921 CB LYS B 28 14.147 7.848 -25.207 1.00 0.00 C ATOM 1922 CG LYS B 28 15.553 7.635 -24.636 1.00 0.00 C ATOM 1923 CD LYS B 28 16.477 7.061 -25.718 1.00 0.00 C ATOM 1924 CE LYS B 28 16.082 5.615 -26.041 1.00 0.00 C ATOM 1925 NZ LYS B 28 17.168 4.969 -26.833 1.00 0.00 N ATOM 0 H LYS B 28 13.180 6.875 -23.019 1.00 0.00 H new ATOM 0 HA LYS B 28 13.753 9.624 -24.033 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.676 6.886 -25.409 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.206 8.380 -26.157 1.00 0.00 H new ATOM 0 HG2 LYS B 28 15.953 8.580 -24.269 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.510 6.955 -23.785 1.00 0.00 H new ATOM 0 HD2 LYS B 28 16.417 7.672 -26.619 1.00 0.00 H new ATOM 0 HD3 LYS B 28 17.512 7.095 -25.378 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.909 5.059 -25.119 1.00 0.00 H new ATOM 0 HE3 LYS B 28 15.148 5.599 -26.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.795 4.122 -27.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 17.522 5.638 -27.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.945 4.696 -26.198 1.00 0.00 H new ATOM 1939 N LYS B 29 11.705 9.811 -25.622 1.00 0.00 N ATOM 1940 CA LYS B 29 10.364 10.019 -26.228 1.00 0.00 C ATOM 1941 C LYS B 29 9.890 8.687 -26.793 1.00 0.00 C ATOM 1942 O LYS B 29 8.713 8.442 -26.964 1.00 0.00 O ATOM 1943 CB LYS B 29 10.460 11.054 -27.359 1.00 0.00 C ATOM 1944 CG LYS B 29 11.219 10.484 -28.563 1.00 0.00 C ATOM 1945 CD LYS B 29 11.505 11.618 -29.552 1.00 0.00 C ATOM 1946 CE LYS B 29 12.033 11.043 -30.868 1.00 0.00 C ATOM 1947 NZ LYS B 29 12.265 12.153 -31.836 1.00 0.00 N ATOM 0 H LYS B 29 12.421 10.478 -25.912 1.00 0.00 H new ATOM 0 HA LYS B 29 9.663 10.385 -25.478 1.00 0.00 H new ATOM 0 HB2 LYS B 29 9.459 11.356 -27.666 1.00 0.00 H new ATOM 0 HB3 LYS B 29 10.966 11.949 -26.996 1.00 0.00 H new ATOM 0 HG2 LYS B 29 12.152 10.024 -28.237 1.00 0.00 H new ATOM 0 HG3 LYS B 29 10.630 9.703 -29.045 1.00 0.00 H new ATOM 0 HD2 LYS B 29 10.596 12.191 -29.735 1.00 0.00 H new ATOM 0 HD3 LYS B 29 12.235 12.307 -29.127 1.00 0.00 H new ATOM 0 HE2 LYS B 29 12.961 10.498 -30.693 1.00 0.00 H new ATOM 0 HE3 LYS B 29 11.318 10.331 -31.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.624 11.764 -32.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 11.371 12.654 -32.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 12.963 12.817 -31.443 1.00 0.00 H new ATOM 1961 N SER B 30 10.821 7.829 -27.082 1.00 0.00 N ATOM 1962 CA SER B 30 10.462 6.495 -27.642 1.00 0.00 C ATOM 1963 C SER B 30 9.923 5.608 -26.523 1.00 0.00 C ATOM 1964 O SER B 30 8.876 5.003 -26.643 1.00 0.00 O ATOM 1965 CB SER B 30 11.699 5.847 -28.261 1.00 0.00 C ATOM 1966 OG SER B 30 12.185 6.677 -29.307 1.00 0.00 O ATOM 0 H SER B 30 11.820 7.991 -26.955 1.00 0.00 H new ATOM 0 HA SER B 30 9.699 6.616 -28.411 1.00 0.00 H new ATOM 0 HB2 SER B 30 12.470 5.708 -27.503 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.451 4.859 -28.649 1.00 0.00 H new ATOM 0 HG SER B 30 12.980 6.267 -29.707 1.00 0.00 H new ATOM 1972 N GLU B 31 10.623 5.541 -25.427 1.00 0.00 N ATOM 1973 CA GLU B 31 10.146 4.711 -24.293 1.00 0.00 C ATOM 1974 C GLU B 31 8.863 5.345 -23.760 1.00 0.00 C ATOM 1975 O GLU B 31 7.961 4.672 -23.306 1.00 0.00 O ATOM 1976 CB GLU B 31 11.214 4.680 -23.198 1.00 0.00 C ATOM 1977 CG GLU B 31 12.433 3.905 -23.702 1.00 0.00 C ATOM 1978 CD GLU B 31 13.553 3.976 -22.662 1.00 0.00 C ATOM 1979 OE1 GLU B 31 13.298 4.464 -21.575 1.00 0.00 O ATOM 1980 OE2 GLU B 31 14.649 3.542 -22.971 1.00 0.00 O ATOM 0 H GLU B 31 11.506 6.027 -25.269 1.00 0.00 H new ATOM 0 HA GLU B 31 9.954 3.688 -24.615 1.00 0.00 H new ATOM 0 HB2 GLU B 31 11.502 5.696 -22.926 1.00 0.00 H new ATOM 0 HB3 GLU B 31 10.816 4.210 -22.299 1.00 0.00 H new ATOM 0 HG2 GLU B 31 12.163 2.866 -23.890 1.00 0.00 H new ATOM 0 HG3 GLU B 31 12.776 4.322 -24.649 1.00 0.00 H new ATOM 1987 N LEU B 32 8.786 6.647 -23.823 1.00 0.00 N ATOM 1988 CA LEU B 32 7.572 7.362 -23.340 1.00 0.00 C ATOM 1989 C LEU B 32 6.357 6.911 -24.140 1.00 0.00 C ATOM 1990 O LEU B 32 5.296 6.718 -23.602 1.00 0.00 O ATOM 1991 CB LEU B 32 7.773 8.871 -23.512 1.00 0.00 C ATOM 1992 CG LEU B 32 6.517 9.639 -23.075 1.00 0.00 C ATOM 1993 CD1 LEU B 32 6.182 9.323 -21.610 1.00 0.00 C ATOM 1994 CD2 LEU B 32 6.780 11.142 -23.231 1.00 0.00 C ATOM 0 H LEU B 32 9.520 7.251 -24.192 1.00 0.00 H new ATOM 0 HA LEU B 32 7.409 7.133 -22.287 1.00 0.00 H new ATOM 0 HB2 LEU B 32 8.629 9.198 -22.922 1.00 0.00 H new ATOM 0 HB3 LEU B 32 7.999 9.096 -24.554 1.00 0.00 H new ATOM 0 HG LEU B 32 5.673 9.339 -23.696 1.00 0.00 H new ATOM 0 HD11 LEU B 32 5.290 9.874 -21.314 1.00 0.00 H new ATOM 0 HD12 LEU B 32 6.001 8.254 -21.501 1.00 0.00 H new ATOM 0 HD13 LEU B 32 7.017 9.616 -20.974 1.00 0.00 H new ATOM 0 HD21 LEU B 32 5.895 11.700 -22.924 1.00 0.00 H new ATOM 0 HD22 LEU B 32 7.626 11.430 -22.607 1.00 0.00 H new ATOM 0 HD23 LEU B 32 7.006 11.366 -24.274 1.00 0.00 H new ATOM 2006 N LYS B 33 6.500 6.755 -25.423 1.00 0.00 N ATOM 2007 CA LYS B 33 5.336 6.322 -26.255 1.00 0.00 C ATOM 2008 C LYS B 33 4.826 4.957 -25.786 1.00 0.00 C ATOM 2009 O LYS B 33 3.637 4.710 -25.762 1.00 0.00 O ATOM 2010 CB LYS B 33 5.751 6.228 -27.728 1.00 0.00 C ATOM 2011 CG LYS B 33 4.534 5.837 -28.579 1.00 0.00 C ATOM 2012 CD LYS B 33 4.934 5.758 -30.052 1.00 0.00 C ATOM 2013 CE LYS B 33 3.690 5.497 -30.904 1.00 0.00 C ATOM 2014 NZ LYS B 33 3.224 4.097 -30.695 1.00 0.00 N ATOM 0 H LYS B 33 7.369 6.907 -25.936 1.00 0.00 H new ATOM 0 HA LYS B 33 4.540 7.059 -26.146 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.152 7.184 -28.065 1.00 0.00 H new ATOM 0 HB3 LYS B 33 6.544 5.490 -27.847 1.00 0.00 H new ATOM 0 HG2 LYS B 33 4.141 4.876 -28.248 1.00 0.00 H new ATOM 0 HG3 LYS B 33 3.737 6.569 -28.448 1.00 0.00 H new ATOM 0 HD2 LYS B 33 5.411 6.688 -30.361 1.00 0.00 H new ATOM 0 HD3 LYS B 33 5.663 4.961 -30.200 1.00 0.00 H new ATOM 0 HE2 LYS B 33 2.900 6.198 -30.635 1.00 0.00 H new ATOM 0 HE3 LYS B 33 3.917 5.662 -31.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 2.489 3.868 -31.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 4.025 3.444 -30.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 2.832 4.001 -29.736 1.00 0.00 H new ATOM 2028 N GLU B 34 5.704 4.059 -25.443 1.00 0.00 N ATOM 2029 CA GLU B 34 5.247 2.714 -25.018 1.00 0.00 C ATOM 2030 C GLU B 34 4.538 2.824 -23.670 1.00 0.00 C ATOM 2031 O GLU B 34 3.602 2.115 -23.397 1.00 0.00 O ATOM 2032 CB GLU B 34 6.453 1.762 -24.928 1.00 0.00 C ATOM 2033 CG GLU B 34 6.001 0.312 -25.173 1.00 0.00 C ATOM 2034 CD GLU B 34 5.869 0.061 -26.678 1.00 0.00 C ATOM 2035 OE1 GLU B 34 5.812 1.032 -27.416 1.00 0.00 O ATOM 2036 OE2 GLU B 34 5.830 -1.095 -27.067 1.00 0.00 O ATOM 0 H GLU B 34 6.714 4.199 -25.439 1.00 0.00 H new ATOM 0 HA GLU B 34 4.546 2.311 -25.749 1.00 0.00 H new ATOM 0 HB2 GLU B 34 7.206 2.046 -25.663 1.00 0.00 H new ATOM 0 HB3 GLU B 34 6.919 1.845 -23.946 1.00 0.00 H new ATOM 0 HG2 GLU B 34 6.722 -0.382 -24.740 1.00 0.00 H new ATOM 0 HG3 GLU B 34 5.047 0.130 -24.679 1.00 0.00 H new ATOM 2043 N LEU B 35 4.970 3.706 -22.824 1.00 0.00 N ATOM 2044 CA LEU B 35 4.286 3.857 -21.514 1.00 0.00 C ATOM 2045 C LEU B 35 2.870 4.368 -21.747 1.00 0.00 C ATOM 2046 O LEU B 35 1.914 3.861 -21.208 1.00 0.00 O ATOM 2047 CB LEU B 35 5.058 4.863 -20.649 1.00 0.00 C ATOM 2048 CG LEU B 35 4.363 5.041 -19.270 1.00 0.00 C ATOM 2049 CD1 LEU B 35 5.417 5.280 -18.183 1.00 0.00 C ATOM 2050 CD2 LEU B 35 3.403 6.247 -19.291 1.00 0.00 C ATOM 0 H LEU B 35 5.763 4.328 -22.979 1.00 0.00 H new ATOM 0 HA LEU B 35 4.249 2.894 -21.004 1.00 0.00 H new ATOM 0 HB2 LEU B 35 6.082 4.518 -20.505 1.00 0.00 H new ATOM 0 HB3 LEU B 35 5.115 5.824 -21.161 1.00 0.00 H new ATOM 0 HG LEU B 35 3.799 4.133 -19.059 1.00 0.00 H new ATOM 0 HD11 LEU B 35 4.924 5.404 -17.219 1.00 0.00 H new ATOM 0 HD12 LEU B 35 6.093 4.426 -18.138 1.00 0.00 H new ATOM 0 HD13 LEU B 35 5.985 6.180 -18.418 1.00 0.00 H new ATOM 0 HD21 LEU B 35 2.929 6.351 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU B 35 3.963 7.154 -19.521 1.00 0.00 H new ATOM 0 HD23 LEU B 35 2.638 6.090 -20.051 1.00 0.00 H new ATOM 2062 N ILE B 36 2.741 5.399 -22.523 1.00 0.00 N ATOM 2063 CA ILE B 36 1.402 5.996 -22.767 1.00 0.00 C ATOM 2064 C ILE B 36 0.531 5.072 -23.624 1.00 0.00 C ATOM 2065 O ILE B 36 -0.622 4.848 -23.326 1.00 0.00 O ATOM 2066 CB ILE B 36 1.590 7.342 -23.480 1.00 0.00 C ATOM 2067 CG1 ILE B 36 2.460 8.252 -22.613 1.00 0.00 C ATOM 2068 CG2 ILE B 36 0.237 8.029 -23.688 1.00 0.00 C ATOM 2069 CD1 ILE B 36 2.819 9.513 -23.401 1.00 0.00 C ATOM 0 H ILE B 36 3.512 5.860 -23.005 1.00 0.00 H new ATOM 0 HA ILE B 36 0.897 6.138 -21.812 1.00 0.00 H new ATOM 0 HB ILE B 36 2.061 7.162 -24.446 1.00 0.00 H new ATOM 0 HG12 ILE B 36 1.928 8.520 -21.700 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.367 7.728 -22.312 1.00 0.00 H new ATOM 0 HG21 ILE B 36 0.387 8.982 -24.195 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -0.405 7.392 -24.296 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -0.235 8.203 -22.721 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.439 10.163 -22.784 1.00 0.00 H new ATOM 0 HD12 ILE B 36 3.367 9.236 -24.301 1.00 0.00 H new ATOM 0 HD13 ILE B 36 1.906 10.040 -23.680 1.00 0.00 H new ATOM 2081 N ASN B 37 1.052 4.561 -24.701 1.00 0.00 N ATOM 2082 CA ASN B 37 0.216 3.691 -25.581 1.00 0.00 C ATOM 2083 C ASN B 37 -0.127 2.357 -24.903 1.00 0.00 C ATOM 2084 O ASN B 37 -1.205 1.824 -25.077 1.00 0.00 O ATOM 2085 CB ASN B 37 0.978 3.414 -26.876 1.00 0.00 C ATOM 2086 CG ASN B 37 0.089 2.612 -27.827 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -0.941 3.191 -28.381 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 0.334 1.447 -28.068 1.00 0.00 N flip ATOM 0 H ASN B 37 2.013 4.704 -25.012 1.00 0.00 H new ATOM 0 HA ASN B 37 -0.718 4.214 -25.786 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.276 4.353 -27.344 1.00 0.00 H new ATOM 0 HB3 ASN B 37 1.892 2.861 -26.662 1.00 0.00 H new ATOM 0 HD21 ASN B 37 1.139 0.995 -27.635 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -0.265 0.921 -28.704 1.00 0.00 H new ATOM 2095 N ASN B 38 0.800 1.787 -24.185 1.00 0.00 N ATOM 2096 CA ASN B 38 0.560 0.444 -23.548 1.00 0.00 C ATOM 2097 C ASN B 38 0.163 0.536 -22.066 1.00 0.00 C ATOM 2098 O ASN B 38 -0.576 -0.297 -21.580 1.00 0.00 O ATOM 2099 CB ASN B 38 1.835 -0.389 -23.662 1.00 0.00 C ATOM 2100 CG ASN B 38 2.308 -0.399 -25.115 1.00 0.00 C ATOM 2101 OD1 ASN B 38 2.569 0.734 -25.707 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 2.442 -1.447 -25.716 1.00 0.00 N flip ATOM 0 H ASN B 38 1.720 2.189 -24.006 1.00 0.00 H new ATOM 0 HA ASN B 38 -0.274 -0.017 -24.077 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.611 0.025 -23.018 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.648 -1.408 -23.322 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.237 -2.331 -25.251 1.00 0.00 H new ATOM 0 HD22 ASN B 38 2.759 -1.442 -26.685 1.00 0.00 H new ATOM 2109 N GLU B 39 0.646 1.498 -21.323 1.00 0.00 N ATOM 2110 CA GLU B 39 0.271 1.548 -19.875 1.00 0.00 C ATOM 2111 C GLU B 39 -1.125 2.162 -19.754 1.00 0.00 C ATOM 2112 O GLU B 39 -1.777 2.055 -18.735 1.00 0.00 O ATOM 2113 CB GLU B 39 1.308 2.383 -19.084 1.00 0.00 C ATOM 2114 CG GLU B 39 1.329 1.956 -17.609 1.00 0.00 C ATOM 2115 CD GLU B 39 0.038 2.403 -16.923 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -0.174 3.601 -16.830 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -0.716 1.542 -16.501 1.00 0.00 O ATOM 0 H GLU B 39 1.271 2.237 -21.645 1.00 0.00 H new ATOM 0 HA GLU B 39 0.262 0.542 -19.456 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.298 2.253 -19.521 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.064 3.443 -19.159 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.435 0.874 -17.536 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.190 2.395 -17.106 1.00 0.00 H new ATOM 2124 N LEU B 40 -1.604 2.773 -20.810 1.00 0.00 N ATOM 2125 CA LEU B 40 -2.977 3.371 -20.794 1.00 0.00 C ATOM 2126 C LEU B 40 -3.843 2.599 -21.788 1.00 0.00 C ATOM 2127 O LEU B 40 -4.323 3.140 -22.763 1.00 0.00 O ATOM 2128 CB LEU B 40 -2.907 4.836 -21.218 1.00 0.00 C ATOM 2129 CG LEU B 40 -1.812 5.559 -20.429 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -1.829 7.045 -20.793 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -2.055 5.399 -18.923 1.00 0.00 C ATOM 0 H LEU B 40 -1.099 2.884 -21.689 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.400 3.312 -19.791 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.702 4.904 -22.286 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.869 5.319 -21.047 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.843 5.127 -20.679 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.051 7.565 -20.234 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.647 7.160 -21.861 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.801 7.470 -20.543 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.271 5.917 -18.371 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.024 5.826 -18.663 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.043 4.341 -18.663 1.00 0.00 H new ATOM 2143 N SER B 41 -4.028 1.331 -21.551 1.00 0.00 N ATOM 2144 CA SER B 41 -4.845 0.501 -22.481 1.00 0.00 C ATOM 2145 C SER B 41 -6.268 1.055 -22.570 1.00 0.00 C ATOM 2146 O SER B 41 -6.864 1.073 -23.629 1.00 0.00 O ATOM 2147 CB SER B 41 -4.900 -0.938 -21.966 1.00 0.00 C ATOM 2148 OG SER B 41 -5.643 -0.972 -20.755 1.00 0.00 O ATOM 0 H SER B 41 -3.646 0.830 -20.748 1.00 0.00 H new ATOM 0 HA SER B 41 -4.387 0.525 -23.470 1.00 0.00 H new ATOM 0 HB2 SER B 41 -5.364 -1.586 -22.710 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.891 -1.316 -21.799 1.00 0.00 H new ATOM 0 HG SER B 41 -5.683 -1.893 -20.421 1.00 0.00 H new ATOM 2154 N HIS B 42 -6.829 1.492 -21.469 1.00 0.00 N ATOM 2155 CA HIS B 42 -8.226 2.032 -21.498 1.00 0.00 C ATOM 2156 C HIS B 42 -8.323 3.297 -20.637 1.00 0.00 C ATOM 2157 O HIS B 42 -9.388 3.860 -20.474 1.00 0.00 O ATOM 2158 CB HIS B 42 -9.180 0.966 -20.956 1.00 0.00 C ATOM 2159 CG HIS B 42 -10.611 1.401 -21.138 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -11.188 2.403 -21.885 1.00 0.00 N flip ATOM 2161 CD2 HIS B 42 -11.661 0.756 -20.497 1.00 0.00 C flip ATOM 2162 CE1 HIS B 42 -12.566 2.375 -21.710 1.00 0.00 C flip ATOM 2163 NE2 HIS B 42 -12.801 1.368 -20.867 1.00 0.00 N flip ATOM 0 H HIS B 42 -6.382 1.499 -20.552 1.00 0.00 H new ATOM 0 HA HIS B 42 -8.495 2.287 -22.523 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.012 0.021 -21.473 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.978 0.791 -19.899 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.578 -0.084 -19.824 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.295 3.031 -22.162 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.729 1.096 -20.543 1.00 0.00 H new ATOM 2172 N PHE B 43 -7.232 3.753 -20.081 1.00 0.00 N ATOM 2173 CA PHE B 43 -7.297 4.982 -19.236 1.00 0.00 C ATOM 2174 C PHE B 43 -7.765 6.158 -20.105 1.00 0.00 C ATOM 2175 O PHE B 43 -8.668 6.888 -19.745 1.00 0.00 O ATOM 2176 CB PHE B 43 -5.899 5.284 -18.648 1.00 0.00 C ATOM 2177 CG PHE B 43 -6.023 6.009 -17.315 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -6.741 7.214 -17.223 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -5.421 5.474 -16.165 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -6.856 7.873 -15.994 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.541 6.139 -14.938 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.258 7.333 -14.853 1.00 0.00 C ATOM 0 H PHE B 43 -6.307 3.333 -20.174 1.00 0.00 H new ATOM 0 HA PHE B 43 -7.999 4.831 -18.415 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -5.347 4.354 -18.512 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.328 5.894 -19.348 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.205 7.632 -18.104 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -4.865 4.550 -16.226 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.407 8.799 -15.928 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.077 5.726 -14.055 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.351 7.840 -13.904 1.00 0.00 H new ATOM 2192 N LEU B 44 -7.151 6.353 -21.244 1.00 0.00 N ATOM 2193 CA LEU B 44 -7.555 7.494 -22.123 1.00 0.00 C ATOM 2194 C LEU B 44 -7.195 7.217 -23.578 1.00 0.00 C ATOM 2195 O LEU B 44 -6.620 6.201 -23.914 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.864 8.790 -21.669 1.00 0.00 C ATOM 2197 CG LEU B 44 -5.335 8.574 -21.436 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -4.537 9.107 -22.639 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.881 9.320 -20.160 1.00 0.00 C ATOM 0 H LEU B 44 -6.391 5.775 -21.603 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.636 7.609 -22.042 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.012 9.565 -22.421 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -7.326 9.146 -20.749 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.151 7.506 -21.319 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.472 8.952 -22.467 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -4.840 8.575 -23.541 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.733 10.172 -22.763 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.813 9.163 -20.007 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.078 10.386 -20.272 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.431 8.938 -19.300 1.00 0.00 H new ATOM 2211 N GLU B 45 -7.552 8.125 -24.444 1.00 0.00 N ATOM 2212 CA GLU B 45 -7.263 7.943 -25.888 1.00 0.00 C ATOM 2213 C GLU B 45 -5.774 7.669 -26.080 1.00 0.00 C ATOM 2214 O GLU B 45 -4.957 8.567 -26.094 1.00 0.00 O ATOM 2215 CB GLU B 45 -7.650 9.221 -26.641 1.00 0.00 C ATOM 2216 CG GLU B 45 -7.377 9.058 -28.141 1.00 0.00 C ATOM 2217 CD GLU B 45 -8.301 7.984 -28.721 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -9.261 7.630 -28.055 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -8.036 7.537 -29.825 1.00 0.00 O ATOM 0 H GLU B 45 -8.036 8.991 -24.208 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.836 7.100 -26.274 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.705 9.442 -26.478 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.084 10.067 -26.251 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -7.538 10.006 -28.655 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -6.335 8.781 -28.303 1.00 0.00 H new ATOM 2226 N GLU B 46 -5.427 6.429 -26.240 1.00 0.00 N ATOM 2227 CA GLU B 46 -3.997 6.070 -26.451 1.00 0.00 C ATOM 2228 C GLU B 46 -3.396 6.928 -27.553 1.00 0.00 C ATOM 2229 O GLU B 46 -4.049 7.763 -28.147 1.00 0.00 O ATOM 2230 CB GLU B 46 -3.873 4.604 -26.866 1.00 0.00 C ATOM 2231 CG GLU B 46 -4.169 3.701 -25.675 1.00 0.00 C ATOM 2232 CD GLU B 46 -5.675 3.679 -25.402 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -6.417 4.186 -26.227 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -6.060 3.155 -24.372 1.00 0.00 O ATOM 0 H GLU B 46 -6.074 5.640 -26.234 1.00 0.00 H new ATOM 0 HA GLU B 46 -3.467 6.239 -25.514 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.566 4.387 -27.679 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -2.869 4.407 -27.242 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.812 2.691 -25.875 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -3.636 4.059 -24.794 1.00 0.00 H new ATOM 2241 N ILE B 47 -2.140 6.712 -27.822 1.00 0.00 N ATOM 2242 CA ILE B 47 -1.439 7.485 -28.880 1.00 0.00 C ATOM 2243 C ILE B 47 -1.318 6.605 -30.128 1.00 0.00 C ATOM 2244 O ILE B 47 -0.949 5.451 -30.041 1.00 0.00 O ATOM 2245 CB ILE B 47 -0.028 7.845 -28.392 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -0.077 8.482 -26.983 1.00 0.00 C ATOM 2247 CG2 ILE B 47 0.638 8.809 -29.387 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -0.480 9.960 -27.056 1.00 0.00 C ATOM 0 H ILE B 47 -1.561 6.021 -27.345 1.00 0.00 H new ATOM 0 HA ILE B 47 -1.995 8.394 -29.107 1.00 0.00 H new ATOM 0 HB ILE B 47 0.560 6.930 -28.330 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.788 7.939 -26.360 1.00 0.00 H new ATOM 0 HG13 ILE B 47 0.899 8.392 -26.506 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.639 9.061 -29.035 1.00 0.00 H new ATOM 0 HG22 ILE B 47 0.706 8.333 -30.365 1.00 0.00 H new ATOM 0 HG23 ILE B 47 0.042 9.718 -29.467 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -0.506 10.380 -26.051 1.00 0.00 H new ATOM 0 HD12 ILE B 47 0.246 10.506 -27.659 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -1.467 10.046 -27.511 1.00 0.00 H new ATOM 2260 N LYS B 48 -1.628 7.134 -31.285 1.00 0.00 N ATOM 2261 CA LYS B 48 -1.533 6.323 -32.543 1.00 0.00 C ATOM 2262 C LYS B 48 -0.320 6.796 -33.350 1.00 0.00 C ATOM 2263 O LYS B 48 0.279 6.040 -34.090 1.00 0.00 O ATOM 2264 CB LYS B 48 -2.808 6.522 -33.379 1.00 0.00 C ATOM 2265 CG LYS B 48 -4.043 6.604 -32.469 1.00 0.00 C ATOM 2266 CD LYS B 48 -4.244 5.295 -31.697 1.00 0.00 C ATOM 2267 CE LYS B 48 -5.375 5.480 -30.685 1.00 0.00 C ATOM 2268 NZ LYS B 48 -5.811 4.148 -30.177 1.00 0.00 N ATOM 0 H LYS B 48 -1.944 8.095 -31.415 1.00 0.00 H new ATOM 0 HA LYS B 48 -1.424 5.268 -32.293 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.723 7.434 -33.970 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.921 5.696 -34.082 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -3.928 7.430 -31.767 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -4.928 6.816 -33.069 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.484 4.485 -32.386 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -3.323 5.015 -31.185 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.038 6.104 -29.857 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.214 5.995 -31.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.580 4.274 -29.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -6.148 3.567 -30.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.009 3.673 -29.717 1.00 0.00 H new ATOM 2282 N GLU B 49 0.043 8.046 -33.205 1.00 0.00 N ATOM 2283 CA GLU B 49 1.218 8.603 -33.948 1.00 0.00 C ATOM 2284 C GLU B 49 2.275 9.075 -32.959 1.00 0.00 C ATOM 2285 O GLU B 49 1.970 9.626 -31.920 1.00 0.00 O ATOM 2286 CB GLU B 49 0.778 9.800 -34.788 1.00 0.00 C ATOM 2287 CG GLU B 49 -0.068 9.328 -35.962 1.00 0.00 C ATOM 2288 CD GLU B 49 0.813 8.577 -36.963 1.00 0.00 C ATOM 2289 OE1 GLU B 49 2.014 8.792 -36.944 1.00 0.00 O ATOM 2290 OE2 GLU B 49 0.271 7.801 -37.733 1.00 0.00 O ATOM 0 H GLU B 49 -0.430 8.713 -32.596 1.00 0.00 H new ATOM 0 HA GLU B 49 1.627 7.824 -34.591 1.00 0.00 H new ATOM 0 HB2 GLU B 49 0.207 10.496 -34.174 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.652 10.340 -35.152 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -0.868 8.678 -35.608 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -0.541 10.181 -36.448 1.00 0.00 H new ATOM 2297 N GLN B 50 3.519 8.883 -33.286 1.00 0.00 N ATOM 2298 CA GLN B 50 4.603 9.341 -32.381 1.00 0.00 C ATOM 2299 C GLN B 50 4.640 10.872 -32.393 1.00 0.00 C ATOM 2300 O GLN B 50 5.243 11.491 -31.546 1.00 0.00 O ATOM 2301 CB GLN B 50 5.954 8.806 -32.873 1.00 0.00 C ATOM 2302 CG GLN B 50 7.011 8.966 -31.761 1.00 0.00 C ATOM 2303 CD GLN B 50 8.391 9.206 -32.369 1.00 0.00 C ATOM 2304 OE1 GLN B 50 8.979 8.320 -32.954 1.00 0.00 O ATOM 2305 NE2 GLN B 50 8.928 10.388 -32.250 1.00 0.00 N ATOM 0 H GLN B 50 3.832 8.427 -34.143 1.00 0.00 H new ATOM 0 HA GLN B 50 4.415 8.973 -31.372 1.00 0.00 H new ATOM 0 HB2 GLN B 50 5.861 7.756 -33.152 1.00 0.00 H new ATOM 0 HB3 GLN B 50 6.267 9.346 -33.766 1.00 0.00 H new ATOM 0 HG2 GLN B 50 6.742 9.800 -31.112 1.00 0.00 H new ATOM 0 HG3 GLN B 50 7.031 8.072 -31.138 1.00 0.00 H new ATOM 0 HE21 GLN B 50 8.428 11.128 -31.757 1.00 0.00 H new ATOM 0 HE22 GLN B 50 9.848 10.573 -32.650 1.00 0.00 H new ATOM 2314 N GLU B 51 4.012 11.489 -33.356 1.00 0.00 N ATOM 2315 CA GLU B 51 4.040 12.982 -33.416 1.00 0.00 C ATOM 2316 C GLU B 51 3.429 13.549 -32.141 1.00 0.00 C ATOM 2317 O GLU B 51 3.909 14.516 -31.593 1.00 0.00 O ATOM 2318 CB GLU B 51 3.247 13.464 -34.639 1.00 0.00 C ATOM 2319 CG GLU B 51 1.746 13.271 -34.397 1.00 0.00 C ATOM 2320 CD GLU B 51 0.991 13.362 -35.724 1.00 0.00 C ATOM 2321 OE1 GLU B 51 1.486 14.023 -36.622 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -0.070 12.768 -35.820 1.00 0.00 O ATOM 0 H GLU B 51 3.484 11.031 -34.099 1.00 0.00 H new ATOM 0 HA GLU B 51 5.070 13.326 -33.505 1.00 0.00 H new ATOM 0 HB2 GLU B 51 3.461 14.515 -34.831 1.00 0.00 H new ATOM 0 HB3 GLU B 51 3.556 12.909 -35.525 1.00 0.00 H new ATOM 0 HG2 GLU B 51 1.565 12.302 -33.931 1.00 0.00 H new ATOM 0 HG3 GLU B 51 1.379 14.030 -33.707 1.00 0.00 H new ATOM 2329 N VAL B 52 2.382 12.949 -31.662 1.00 0.00 N ATOM 2330 CA VAL B 52 1.752 13.442 -30.413 1.00 0.00 C ATOM 2331 C VAL B 52 2.769 13.377 -29.292 1.00 0.00 C ATOM 2332 O VAL B 52 2.809 14.219 -28.424 1.00 0.00 O ATOM 2333 CB VAL B 52 0.557 12.559 -30.059 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -0.082 13.047 -28.757 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -0.469 12.615 -31.188 1.00 0.00 C ATOM 0 H VAL B 52 1.934 12.135 -32.083 1.00 0.00 H new ATOM 0 HA VAL B 52 1.414 14.469 -30.553 1.00 0.00 H new ATOM 0 HB VAL B 52 0.895 11.531 -29.926 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -0.934 12.413 -28.510 1.00 0.00 H new ATOM 0 HG12 VAL B 52 0.651 13.000 -27.952 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -0.419 14.076 -28.881 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -1.322 11.985 -30.936 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -0.805 13.643 -31.324 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -0.014 12.257 -32.111 1.00 0.00 H new ATOM 2345 N VAL B 53 3.569 12.359 -29.289 1.00 0.00 N ATOM 2346 CA VAL B 53 4.570 12.204 -28.216 1.00 0.00 C ATOM 2347 C VAL B 53 5.649 13.272 -28.337 1.00 0.00 C ATOM 2348 O VAL B 53 6.173 13.728 -27.356 1.00 0.00 O ATOM 2349 CB VAL B 53 5.186 10.820 -28.324 1.00 0.00 C ATOM 2350 CG1 VAL B 53 6.167 10.609 -27.176 1.00 0.00 C ATOM 2351 CG2 VAL B 53 4.067 9.773 -28.264 1.00 0.00 C ATOM 0 H VAL B 53 3.571 11.620 -29.992 1.00 0.00 H new ATOM 0 HA VAL B 53 4.088 12.320 -27.245 1.00 0.00 H new ATOM 0 HB VAL B 53 5.723 10.721 -29.267 1.00 0.00 H new ATOM 0 HG11 VAL B 53 6.609 9.616 -27.253 1.00 0.00 H new ATOM 0 HG12 VAL B 53 6.954 11.362 -27.227 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.640 10.699 -26.226 1.00 0.00 H new ATOM 0 HG21 VAL B 53 4.498 8.775 -28.341 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.532 9.866 -27.319 1.00 0.00 H new ATOM 0 HG23 VAL B 53 3.374 9.933 -29.090 1.00 0.00 H new ATOM 2361 N ASP B 54 5.996 13.665 -29.527 1.00 0.00 N ATOM 2362 CA ASP B 54 7.051 14.706 -29.680 1.00 0.00 C ATOM 2363 C ASP B 54 6.515 16.053 -29.205 1.00 0.00 C ATOM 2364 O ASP B 54 7.231 16.857 -28.649 1.00 0.00 O ATOM 2365 CB ASP B 54 7.476 14.810 -31.145 1.00 0.00 C ATOM 2366 CG ASP B 54 8.657 15.777 -31.266 1.00 0.00 C ATOM 2367 OD1 ASP B 54 8.763 16.659 -30.431 1.00 0.00 O ATOM 2368 OD2 ASP B 54 9.432 15.622 -32.195 1.00 0.00 O ATOM 0 H ASP B 54 5.598 13.314 -30.398 1.00 0.00 H new ATOM 0 HA ASP B 54 7.916 14.427 -29.078 1.00 0.00 H new ATOM 0 HB2 ASP B 54 7.756 13.827 -31.524 1.00 0.00 H new ATOM 0 HB3 ASP B 54 6.642 15.160 -31.753 1.00 0.00 H new ATOM 2373 N LYS B 55 5.258 16.299 -29.424 1.00 0.00 N ATOM 2374 CA LYS B 55 4.654 17.590 -28.989 1.00 0.00 C ATOM 2375 C LYS B 55 4.613 17.602 -27.471 1.00 0.00 C ATOM 2376 O LYS B 55 4.892 18.596 -26.826 1.00 0.00 O ATOM 2377 CB LYS B 55 3.235 17.709 -29.552 1.00 0.00 C ATOM 2378 CG LYS B 55 2.622 19.057 -29.139 1.00 0.00 C ATOM 2379 CD LYS B 55 1.195 19.189 -29.698 1.00 0.00 C ATOM 2380 CE LYS B 55 1.233 19.651 -31.162 1.00 0.00 C ATOM 2381 NZ LYS B 55 1.882 20.991 -31.244 1.00 0.00 N ATOM 0 H LYS B 55 4.615 15.658 -29.889 1.00 0.00 H new ATOM 0 HA LYS B 55 5.244 18.430 -29.355 1.00 0.00 H new ATOM 0 HB2 LYS B 55 3.257 17.627 -30.639 1.00 0.00 H new ATOM 0 HB3 LYS B 55 2.618 16.890 -29.183 1.00 0.00 H new ATOM 0 HG2 LYS B 55 2.603 19.138 -28.052 1.00 0.00 H new ATOM 0 HG3 LYS B 55 3.241 19.874 -29.508 1.00 0.00 H new ATOM 0 HD2 LYS B 55 0.679 18.231 -29.626 1.00 0.00 H new ATOM 0 HD3 LYS B 55 0.628 19.902 -29.100 1.00 0.00 H new ATOM 0 HE2 LYS B 55 1.783 18.931 -31.768 1.00 0.00 H new ATOM 0 HE3 LYS B 55 0.222 19.700 -31.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 1.292 21.628 -31.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 1.989 21.384 -30.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 2.818 20.897 -31.687 1.00 0.00 H new ATOM 2395 N VAL B 56 4.289 16.482 -26.901 1.00 0.00 N ATOM 2396 CA VAL B 56 4.247 16.380 -25.426 1.00 0.00 C ATOM 2397 C VAL B 56 5.670 16.547 -24.914 1.00 0.00 C ATOM 2398 O VAL B 56 5.910 17.112 -23.869 1.00 0.00 O ATOM 2399 CB VAL B 56 3.683 15.004 -25.032 1.00 0.00 C ATOM 2400 CG1 VAL B 56 4.055 14.662 -23.583 1.00 0.00 C ATOM 2401 CG2 VAL B 56 2.157 15.030 -25.175 1.00 0.00 C ATOM 0 H VAL B 56 4.049 15.625 -27.400 1.00 0.00 H new ATOM 0 HA VAL B 56 3.607 17.148 -24.992 1.00 0.00 H new ATOM 0 HB VAL B 56 4.109 14.245 -25.688 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.647 13.685 -23.323 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.140 14.641 -23.481 1.00 0.00 H new ATOM 0 HG13 VAL B 56 3.643 15.417 -22.914 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.749 14.058 -24.898 1.00 0.00 H new ATOM 0 HG22 VAL B 56 1.743 15.797 -24.521 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.892 15.253 -26.209 1.00 0.00 H new ATOM 2411 N MET B 57 6.617 16.059 -25.654 1.00 0.00 N ATOM 2412 CA MET B 57 8.028 16.189 -25.218 1.00 0.00 C ATOM 2413 C MET B 57 8.463 17.642 -25.316 1.00 0.00 C ATOM 2414 O MET B 57 9.278 18.096 -24.561 1.00 0.00 O ATOM 2415 CB MET B 57 8.930 15.291 -26.057 1.00 0.00 C ATOM 2416 CG MET B 57 8.699 13.836 -25.639 1.00 0.00 C ATOM 2417 SD MET B 57 9.424 13.543 -24.006 1.00 0.00 S ATOM 2418 CE MET B 57 11.110 13.188 -24.558 1.00 0.00 C ATOM 0 H MET B 57 6.476 15.576 -26.541 1.00 0.00 H new ATOM 0 HA MET B 57 8.112 15.870 -24.179 1.00 0.00 H new ATOM 0 HB2 MET B 57 8.710 15.419 -27.117 1.00 0.00 H new ATOM 0 HB3 MET B 57 9.975 15.564 -25.913 1.00 0.00 H new ATOM 0 HG2 MET B 57 7.631 13.620 -25.617 1.00 0.00 H new ATOM 0 HG3 MET B 57 9.145 13.163 -26.371 1.00 0.00 H new ATOM 0 HE1 MET B 57 11.280 12.111 -24.539 1.00 0.00 H new ATOM 0 HE2 MET B 57 11.246 13.559 -25.574 1.00 0.00 H new ATOM 0 HE3 MET B 57 11.821 13.679 -23.894 1.00 0.00 H new ATOM 2428 N GLU B 58 7.905 18.404 -26.204 1.00 0.00 N ATOM 2429 CA GLU B 58 8.309 19.831 -26.264 1.00 0.00 C ATOM 2430 C GLU B 58 8.026 20.413 -24.882 1.00 0.00 C ATOM 2431 O GLU B 58 8.761 21.229 -24.362 1.00 0.00 O ATOM 2432 CB GLU B 58 7.480 20.564 -27.327 1.00 0.00 C ATOM 2433 CG GLU B 58 7.895 22.039 -27.390 1.00 0.00 C ATOM 2434 CD GLU B 58 9.356 22.145 -27.832 1.00 0.00 C ATOM 2435 OE1 GLU B 58 9.856 21.186 -28.396 1.00 0.00 O ATOM 2436 OE2 GLU B 58 9.951 23.184 -27.597 1.00 0.00 O ATOM 0 H GLU B 58 7.200 18.111 -26.880 1.00 0.00 H new ATOM 0 HA GLU B 58 9.360 19.939 -26.531 1.00 0.00 H new ATOM 0 HB2 GLU B 58 7.625 20.095 -28.300 1.00 0.00 H new ATOM 0 HB3 GLU B 58 6.419 20.486 -27.090 1.00 0.00 H new ATOM 0 HG2 GLU B 58 7.254 22.578 -28.088 1.00 0.00 H new ATOM 0 HG3 GLU B 58 7.766 22.505 -26.413 1.00 0.00 H new ATOM 2443 N THR B 59 6.954 19.969 -24.292 1.00 0.00 N ATOM 2444 CA THR B 59 6.569 20.440 -22.935 1.00 0.00 C ATOM 2445 C THR B 59 7.409 19.741 -21.848 1.00 0.00 C ATOM 2446 O THR B 59 7.899 20.377 -20.937 1.00 0.00 O ATOM 2447 CB THR B 59 5.095 20.097 -22.725 1.00 0.00 C ATOM 2448 OG1 THR B 59 4.340 20.582 -23.825 1.00 0.00 O ATOM 2449 CG2 THR B 59 4.570 20.725 -21.436 1.00 0.00 C ATOM 0 H THR B 59 6.316 19.286 -24.701 1.00 0.00 H new ATOM 0 HA THR B 59 6.743 21.513 -22.860 1.00 0.00 H new ATOM 0 HB THR B 59 4.996 19.014 -22.650 1.00 0.00 H new ATOM 0 HG1 THR B 59 3.394 20.362 -23.695 1.00 0.00 H new ATOM 0 HG21 THR B 59 3.519 20.467 -21.308 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.142 20.348 -20.588 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.674 21.809 -21.491 1.00 0.00 H new ATOM 2457 N LEU B 60 7.552 18.435 -21.911 1.00 0.00 N ATOM 2458 CA LEU B 60 8.327 17.707 -20.854 1.00 0.00 C ATOM 2459 C LEU B 60 9.812 17.639 -21.218 1.00 0.00 C ATOM 2460 O LEU B 60 10.635 17.289 -20.399 1.00 0.00 O ATOM 2461 CB LEU B 60 7.771 16.284 -20.678 1.00 0.00 C ATOM 2462 CG LEU B 60 6.451 16.302 -19.878 1.00 0.00 C ATOM 2463 CD1 LEU B 60 6.690 16.771 -18.429 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.436 17.225 -20.561 1.00 0.00 C ATOM 0 H LEU B 60 7.166 17.844 -22.647 1.00 0.00 H new ATOM 0 HA LEU B 60 8.223 18.255 -19.917 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.602 15.832 -21.655 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.505 15.664 -20.163 1.00 0.00 H new ATOM 0 HG LEU B 60 6.056 15.286 -19.851 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.744 16.775 -17.887 1.00 0.00 H new ATOM 0 HD12 LEU B 60 7.387 16.093 -17.937 1.00 0.00 H new ATOM 0 HD13 LEU B 60 7.108 17.778 -18.437 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.508 17.231 -19.990 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.839 18.237 -20.610 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.238 16.864 -21.570 1.00 0.00 H new ATOM 2476 N ASP B 61 10.180 17.991 -22.416 1.00 0.00 N ATOM 2477 CA ASP B 61 11.631 17.968 -22.759 1.00 0.00 C ATOM 2478 C ASP B 61 12.206 19.253 -22.199 1.00 0.00 C ATOM 2479 O ASP B 61 12.647 20.132 -22.913 1.00 0.00 O ATOM 2480 CB ASP B 61 11.853 17.915 -24.272 1.00 0.00 C ATOM 2481 CG ASP B 61 13.347 17.779 -24.556 1.00 0.00 C ATOM 2482 OD1 ASP B 61 14.104 17.666 -23.606 1.00 0.00 O ATOM 2483 OD2 ASP B 61 13.709 17.787 -25.720 1.00 0.00 O ATOM 0 H ASP B 61 9.553 18.289 -23.163 1.00 0.00 H new ATOM 0 HA ASP B 61 12.110 17.082 -22.343 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.311 17.073 -24.702 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.462 18.818 -24.741 1.00 0.00 H new ATOM 2488 N GLU B 62 12.148 19.373 -20.912 1.00 0.00 N ATOM 2489 CA GLU B 62 12.625 20.604 -20.239 1.00 0.00 C ATOM 2490 C GLU B 62 14.094 20.856 -20.575 1.00 0.00 C ATOM 2491 O GLU B 62 14.503 21.979 -20.796 1.00 0.00 O ATOM 2492 CB GLU B 62 12.473 20.422 -18.733 1.00 0.00 C ATOM 2493 CG GLU B 62 11.068 19.891 -18.420 1.00 0.00 C ATOM 2494 CD GLU B 62 10.830 19.952 -16.911 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.744 20.344 -16.204 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.739 19.608 -16.489 1.00 0.00 O ATOM 0 H GLU B 62 11.783 18.657 -20.284 1.00 0.00 H new ATOM 0 HA GLU B 62 12.038 21.457 -20.580 1.00 0.00 H new ATOM 0 HB2 GLU B 62 13.227 19.727 -18.362 1.00 0.00 H new ATOM 0 HB3 GLU B 62 12.636 21.371 -18.223 1.00 0.00 H new ATOM 0 HG2 GLU B 62 10.318 20.484 -18.942 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.967 18.865 -18.775 1.00 0.00 H new ATOM 2503 N ASP B 63 14.895 19.830 -20.618 1.00 0.00 N ATOM 2504 CA ASP B 63 16.334 20.034 -20.946 1.00 0.00 C ATOM 2505 C ASP B 63 16.491 20.164 -22.464 1.00 0.00 C ATOM 2506 O ASP B 63 17.554 20.476 -22.964 1.00 0.00 O ATOM 2507 CB ASP B 63 17.156 18.850 -20.427 1.00 0.00 C ATOM 2508 CG ASP B 63 16.835 17.593 -21.233 1.00 0.00 C ATOM 2509 OD1 ASP B 63 15.913 17.640 -22.031 1.00 0.00 O ATOM 2510 OD2 ASP B 63 17.524 16.605 -21.041 1.00 0.00 O ATOM 0 H ASP B 63 14.619 18.864 -20.442 1.00 0.00 H new ATOM 0 HA ASP B 63 16.695 20.945 -20.469 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.220 19.076 -20.500 1.00 0.00 H new ATOM 0 HB3 ASP B 63 16.938 18.681 -19.373 1.00 0.00 H new ATOM 2515 N GLY B 64 15.431 19.952 -23.197 1.00 0.00 N ATOM 2516 CA GLY B 64 15.509 20.088 -24.685 1.00 0.00 C ATOM 2517 C GLY B 64 16.411 18.999 -25.278 1.00 0.00 C ATOM 2518 O GLY B 64 17.135 19.243 -26.224 1.00 0.00 O ATOM 0 H GLY B 64 14.515 19.691 -22.833 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.510 20.015 -25.115 1.00 0.00 H new ATOM 0 HA3 GLY B 64 15.898 21.072 -24.946 1.00 0.00 H new ATOM 2522 N ASP B 65 16.386 17.804 -24.734 1.00 0.00 N ATOM 2523 CA ASP B 65 17.256 16.706 -25.273 1.00 0.00 C ATOM 2524 C ASP B 65 16.410 15.692 -26.046 1.00 0.00 C ATOM 2525 O ASP B 65 16.919 14.722 -26.570 1.00 0.00 O ATOM 2526 CB ASP B 65 17.930 15.995 -24.102 1.00 0.00 C ATOM 2527 CG ASP B 65 16.853 15.368 -23.222 1.00 0.00 C ATOM 2528 OD1 ASP B 65 15.698 15.713 -23.407 1.00 0.00 O ATOM 2529 OD2 ASP B 65 17.198 14.559 -22.377 1.00 0.00 O ATOM 0 H ASP B 65 15.801 17.541 -23.941 1.00 0.00 H new ATOM 0 HA ASP B 65 18.002 17.134 -25.943 1.00 0.00 H new ATOM 0 HB2 ASP B 65 18.612 15.228 -24.468 1.00 0.00 H new ATOM 0 HB3 ASP B 65 18.526 16.701 -23.524 1.00 0.00 H new ATOM 2534 N GLY B 66 15.126 15.895 -26.109 1.00 0.00 N ATOM 2535 CA GLY B 66 14.256 14.925 -26.834 1.00 0.00 C ATOM 2536 C GLY B 66 14.008 13.719 -25.926 1.00 0.00 C ATOM 2537 O GLY B 66 13.381 12.751 -26.308 1.00 0.00 O ATOM 0 H GLY B 66 14.640 16.688 -25.691 1.00 0.00 H new ATOM 0 HA2 GLY B 66 13.311 15.395 -27.106 1.00 0.00 H new ATOM 0 HA3 GLY B 66 14.733 14.609 -27.761 1.00 0.00 H new ATOM 2541 N GLU B 67 14.506 13.783 -24.718 1.00 0.00 N ATOM 2542 CA GLU B 67 14.329 12.664 -23.746 1.00 0.00 C ATOM 2543 C GLU B 67 13.998 13.263 -22.371 1.00 0.00 C ATOM 2544 O GLU B 67 14.574 14.254 -21.973 1.00 0.00 O ATOM 2545 CB GLU B 67 15.645 11.885 -23.654 1.00 0.00 C ATOM 2546 CG GLU B 67 16.055 11.402 -25.048 1.00 0.00 C ATOM 2547 CD GLU B 67 17.373 10.628 -24.953 1.00 0.00 C ATOM 2548 OE1 GLU B 67 17.987 10.668 -23.899 1.00 0.00 O ATOM 2549 OE2 GLU B 67 17.749 10.014 -25.938 1.00 0.00 O ATOM 0 H GLU B 67 15.036 14.577 -24.359 1.00 0.00 H new ATOM 0 HA GLU B 67 13.527 11.999 -24.066 1.00 0.00 H new ATOM 0 HB2 GLU B 67 16.426 12.519 -23.234 1.00 0.00 H new ATOM 0 HB3 GLU B 67 15.529 11.034 -22.983 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.276 10.765 -25.467 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.168 12.252 -25.721 1.00 0.00 H new ATOM 2556 N CYS B 68 13.092 12.665 -21.632 1.00 0.00 N ATOM 2557 CA CYS B 68 12.737 13.195 -20.273 1.00 0.00 C ATOM 2558 C CYS B 68 13.193 12.180 -19.226 1.00 0.00 C ATOM 2559 O CYS B 68 12.938 11.001 -19.339 1.00 0.00 O ATOM 2560 CB CYS B 68 11.222 13.415 -20.175 1.00 0.00 C ATOM 2561 SG CYS B 68 10.356 11.978 -20.858 1.00 0.00 S ATOM 0 H CYS B 68 12.580 11.828 -21.912 1.00 0.00 H new ATOM 0 HA CYS B 68 13.232 14.151 -20.102 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.933 13.567 -19.135 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.939 14.316 -20.719 1.00 0.00 H new ATOM 0 HG CYS B 68 9.894 12.270 -22.038 1.00 0.00 H new ATOM 2567 N ASP B 69 13.892 12.628 -18.223 1.00 0.00 N ATOM 2568 CA ASP B 69 14.397 11.689 -17.179 1.00 0.00 C ATOM 2569 C ASP B 69 13.307 11.404 -16.145 1.00 0.00 C ATOM 2570 O ASP B 69 12.303 12.086 -16.076 1.00 0.00 O ATOM 2571 CB ASP B 69 15.617 12.308 -16.493 1.00 0.00 C ATOM 2572 CG ASP B 69 15.223 13.633 -15.841 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.115 14.083 -16.080 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.037 14.175 -15.111 1.00 0.00 O ATOM 0 H ASP B 69 14.138 13.607 -18.079 1.00 0.00 H new ATOM 0 HA ASP B 69 14.679 10.748 -17.651 1.00 0.00 H new ATOM 0 HB2 ASP B 69 16.010 11.624 -15.741 1.00 0.00 H new ATOM 0 HB3 ASP B 69 16.412 12.472 -17.221 1.00 0.00 H new ATOM 2579 N PHE B 70 13.504 10.395 -15.338 1.00 0.00 N ATOM 2580 CA PHE B 70 12.503 10.044 -14.304 1.00 0.00 C ATOM 2581 C PHE B 70 12.056 11.316 -13.571 1.00 0.00 C ATOM 2582 O PHE B 70 10.942 11.409 -13.106 1.00 0.00 O ATOM 2583 CB PHE B 70 13.150 9.047 -13.339 1.00 0.00 C ATOM 2584 CG PHE B 70 12.274 8.834 -12.129 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.944 8.423 -12.283 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.795 9.041 -10.847 1.00 0.00 C ATOM 2587 CE1 PHE B 70 10.142 8.223 -11.158 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.994 8.840 -9.728 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.666 8.432 -9.879 1.00 0.00 C ATOM 0 H PHE B 70 14.329 9.795 -15.357 1.00 0.00 H new ATOM 0 HA PHE B 70 11.619 9.590 -14.753 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.316 8.097 -13.846 1.00 0.00 H new ATOM 0 HB3 PHE B 70 14.127 9.416 -13.027 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.539 8.261 -13.271 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.821 9.357 -10.726 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.116 7.907 -11.276 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.399 9.000 -8.740 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.045 8.278 -9.009 1.00 0.00 H new ATOM 2599 N GLN B 71 12.912 12.301 -13.481 1.00 0.00 N ATOM 2600 CA GLN B 71 12.518 13.578 -12.811 1.00 0.00 C ATOM 2601 C GLN B 71 11.525 14.331 -13.707 1.00 0.00 C ATOM 2602 O GLN B 71 10.493 14.794 -13.267 1.00 0.00 O ATOM 2603 CB GLN B 71 13.775 14.436 -12.580 1.00 0.00 C ATOM 2604 CG GLN B 71 13.391 15.903 -12.329 1.00 0.00 C ATOM 2605 CD GLN B 71 14.612 16.673 -11.824 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.541 16.087 -11.305 1.00 0.00 O ATOM 2607 NE2 GLN B 71 14.654 17.971 -11.958 1.00 0.00 N ATOM 0 H GLN B 71 13.866 12.277 -13.842 1.00 0.00 H new ATOM 0 HA GLN B 71 12.047 13.367 -11.851 1.00 0.00 H new ATOM 0 HB2 GLN B 71 14.334 14.050 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN B 71 14.431 14.370 -13.448 1.00 0.00 H new ATOM 0 HG2 GLN B 71 13.018 16.354 -13.248 1.00 0.00 H new ATOM 0 HG3 GLN B 71 12.585 15.959 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN B 71 13.875 18.464 -12.394 1.00 0.00 H new ATOM 0 HE22 GLN B 71 15.466 18.492 -11.627 1.00 0.00 H new ATOM 2616 N GLU B 72 11.845 14.469 -14.960 1.00 0.00 N ATOM 2617 CA GLU B 72 10.938 15.196 -15.889 1.00 0.00 C ATOM 2618 C GLU B 72 9.664 14.381 -16.104 1.00 0.00 C ATOM 2619 O GLU B 72 8.573 14.914 -16.152 1.00 0.00 O ATOM 2620 CB GLU B 72 11.661 15.419 -17.219 1.00 0.00 C ATOM 2621 CG GLU B 72 12.661 16.569 -17.076 1.00 0.00 C ATOM 2622 CD GLU B 72 13.409 16.761 -18.396 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.935 17.529 -19.217 1.00 0.00 O ATOM 2624 OE2 GLU B 72 14.443 16.136 -18.565 1.00 0.00 O ATOM 0 H GLU B 72 12.700 14.108 -15.384 1.00 0.00 H new ATOM 0 HA GLU B 72 10.665 16.162 -15.464 1.00 0.00 H new ATOM 0 HB2 GLU B 72 12.180 14.509 -17.519 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.939 15.648 -18.003 1.00 0.00 H new ATOM 0 HG2 GLU B 72 12.140 17.487 -16.804 1.00 0.00 H new ATOM 0 HG3 GLU B 72 13.367 16.354 -16.274 1.00 0.00 H new ATOM 2631 N PHE B 73 9.792 13.091 -16.223 1.00 0.00 N ATOM 2632 CA PHE B 73 8.589 12.239 -16.422 1.00 0.00 C ATOM 2633 C PHE B 73 7.774 12.224 -15.134 1.00 0.00 C ATOM 2634 O PHE B 73 6.575 12.039 -15.149 1.00 0.00 O ATOM 2635 CB PHE B 73 9.007 10.808 -16.766 1.00 0.00 C ATOM 2636 CG PHE B 73 7.766 9.957 -16.878 1.00 0.00 C ATOM 2637 CD1 PHE B 73 7.113 9.822 -18.108 1.00 0.00 C ATOM 2638 CD2 PHE B 73 7.255 9.322 -15.740 1.00 0.00 C ATOM 2639 CE1 PHE B 73 5.951 9.047 -18.199 1.00 0.00 C ATOM 2640 CE2 PHE B 73 6.095 8.547 -15.833 1.00 0.00 C ATOM 2641 CZ PHE B 73 5.443 8.410 -17.061 1.00 0.00 C ATOM 0 H PHE B 73 10.679 12.589 -16.191 1.00 0.00 H new ATOM 0 HA PHE B 73 7.994 12.644 -17.241 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.563 10.791 -17.704 1.00 0.00 H new ATOM 0 HB3 PHE B 73 9.669 10.412 -15.996 1.00 0.00 H new ATOM 0 HD1 PHE B 73 7.505 10.315 -18.986 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.757 9.431 -14.790 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.446 8.941 -19.148 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.703 8.054 -14.956 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.546 7.812 -17.132 1.00 0.00 H new ATOM 2651 N MET B 74 8.422 12.417 -14.021 1.00 0.00 N ATOM 2652 CA MET B 74 7.702 12.415 -12.719 1.00 0.00 C ATOM 2653 C MET B 74 6.654 13.527 -12.748 1.00 0.00 C ATOM 2654 O MET B 74 5.543 13.376 -12.269 1.00 0.00 O ATOM 2655 CB MET B 74 8.725 12.648 -11.575 1.00 0.00 C ATOM 2656 CG MET B 74 9.149 11.311 -10.911 1.00 0.00 C ATOM 2657 SD MET B 74 8.276 11.095 -9.337 1.00 0.00 S ATOM 2658 CE MET B 74 6.575 11.159 -9.961 1.00 0.00 C ATOM 0 H MET B 74 9.427 12.577 -13.957 1.00 0.00 H new ATOM 0 HA MET B 74 7.205 11.460 -12.548 1.00 0.00 H new ATOM 0 HB2 MET B 74 9.605 13.155 -11.970 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.289 13.306 -10.824 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.926 10.478 -11.577 1.00 0.00 H new ATOM 0 HG3 MET B 74 10.226 11.305 -10.743 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.881 10.954 -9.146 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.374 12.150 -10.369 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.446 10.412 -10.744 1.00 0.00 H new ATOM 2668 N ALA B 75 6.992 14.647 -13.302 1.00 0.00 N ATOM 2669 CA ALA B 75 6.007 15.750 -13.349 1.00 0.00 C ATOM 2670 C ALA B 75 4.877 15.405 -14.325 1.00 0.00 C ATOM 2671 O ALA B 75 3.743 15.794 -14.132 1.00 0.00 O ATOM 2672 CB ALA B 75 6.713 17.045 -13.776 1.00 0.00 C ATOM 0 H ALA B 75 7.900 14.847 -13.722 1.00 0.00 H new ATOM 0 HA ALA B 75 5.572 15.893 -12.360 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.989 17.859 -13.811 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.496 17.286 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA B 75 7.156 16.910 -14.763 1.00 0.00 H new ATOM 2678 N PHE B 76 5.174 14.690 -15.370 1.00 0.00 N ATOM 2679 CA PHE B 76 4.108 14.335 -16.353 1.00 0.00 C ATOM 2680 C PHE B 76 3.016 13.517 -15.668 1.00 0.00 C ATOM 2681 O PHE B 76 1.849 13.682 -15.925 1.00 0.00 O ATOM 2682 CB PHE B 76 4.718 13.507 -17.487 1.00 0.00 C ATOM 2683 CG PHE B 76 3.658 13.212 -18.522 1.00 0.00 C ATOM 2684 CD1 PHE B 76 3.107 14.261 -19.264 1.00 0.00 C ATOM 2685 CD2 PHE B 76 3.234 11.896 -18.749 1.00 0.00 C ATOM 2686 CE1 PHE B 76 2.133 14.001 -20.231 1.00 0.00 C ATOM 2687 CE2 PHE B 76 2.257 11.636 -19.717 1.00 0.00 C ATOM 2688 CZ PHE B 76 1.707 12.689 -20.458 1.00 0.00 C ATOM 0 H PHE B 76 6.105 14.335 -15.589 1.00 0.00 H new ATOM 0 HA PHE B 76 3.674 15.251 -16.753 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.546 14.050 -17.943 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.126 12.576 -17.093 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.435 15.275 -19.089 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.660 11.084 -18.178 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.709 14.813 -20.803 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.927 10.623 -19.892 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.954 12.488 -21.205 1.00 0.00 H new ATOM 2698 N VAL B 77 3.399 12.627 -14.809 1.00 0.00 N ATOM 2699 CA VAL B 77 2.401 11.762 -14.104 1.00 0.00 C ATOM 2700 C VAL B 77 1.444 12.628 -13.295 1.00 0.00 C ATOM 2701 O VAL B 77 0.278 12.327 -13.178 1.00 0.00 O ATOM 2702 CB VAL B 77 3.130 10.767 -13.170 1.00 0.00 C ATOM 2703 CG1 VAL B 77 2.413 9.411 -13.158 1.00 0.00 C ATOM 2704 CG2 VAL B 77 4.557 10.575 -13.663 1.00 0.00 C ATOM 0 H VAL B 77 4.371 12.452 -14.555 1.00 0.00 H new ATOM 0 HA VAL B 77 1.832 11.200 -14.845 1.00 0.00 H new ATOM 0 HB VAL B 77 3.131 11.171 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.942 8.726 -12.495 1.00 0.00 H new ATOM 0 HG12 VAL B 77 1.391 9.543 -12.803 1.00 0.00 H new ATOM 0 HG13 VAL B 77 2.396 8.999 -14.167 1.00 0.00 H new ATOM 0 HG21 VAL B 77 5.077 9.875 -13.009 1.00 0.00 H new ATOM 0 HG22 VAL B 77 4.541 10.180 -14.679 1.00 0.00 H new ATOM 0 HG23 VAL B 77 5.077 11.533 -13.655 1.00 0.00 H new ATOM 2714 N SER B 78 1.927 13.687 -12.719 1.00 0.00 N ATOM 2715 CA SER B 78 1.025 14.550 -11.909 1.00 0.00 C ATOM 2716 C SER B 78 0.036 15.261 -12.827 1.00 0.00 C ATOM 2717 O SER B 78 -1.123 15.411 -12.506 1.00 0.00 O ATOM 2718 CB SER B 78 1.848 15.580 -11.127 1.00 0.00 C ATOM 2719 OG SER B 78 2.313 14.980 -9.928 1.00 0.00 O ATOM 0 H SER B 78 2.899 13.993 -12.771 1.00 0.00 H new ATOM 0 HA SER B 78 0.475 13.929 -11.202 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.690 15.925 -11.727 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.239 16.455 -10.900 1.00 0.00 H new ATOM 0 HG SER B 78 3.072 14.393 -10.129 1.00 0.00 H new ATOM 2725 N MET B 79 0.485 15.709 -13.962 1.00 0.00 N ATOM 2726 CA MET B 79 -0.437 16.417 -14.888 1.00 0.00 C ATOM 2727 C MET B 79 -1.575 15.496 -15.331 1.00 0.00 C ATOM 2728 O MET B 79 -2.734 15.853 -15.275 1.00 0.00 O ATOM 2729 CB MET B 79 0.339 16.881 -16.122 1.00 0.00 C ATOM 2730 CG MET B 79 1.295 18.014 -15.741 1.00 0.00 C ATOM 2731 SD MET B 79 2.259 18.514 -17.194 1.00 0.00 S ATOM 2732 CE MET B 79 0.881 19.053 -18.236 1.00 0.00 C ATOM 0 H MET B 79 1.447 15.616 -14.288 1.00 0.00 H new ATOM 0 HA MET B 79 -0.861 17.274 -14.365 1.00 0.00 H new ATOM 0 HB2 MET B 79 0.900 16.047 -16.544 1.00 0.00 H new ATOM 0 HB3 MET B 79 -0.354 17.222 -16.891 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.732 18.864 -15.356 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.963 17.687 -14.944 1.00 0.00 H new ATOM 0 HE1 MET B 79 1.187 19.917 -18.826 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.591 18.242 -18.904 1.00 0.00 H new ATOM 0 HE3 MET B 79 0.034 19.326 -17.607 1.00 0.00 H new ATOM 2742 N VAL B 80 -1.265 14.318 -15.778 1.00 0.00 N ATOM 2743 CA VAL B 80 -2.356 13.411 -16.238 1.00 0.00 C ATOM 2744 C VAL B 80 -3.203 12.972 -15.050 1.00 0.00 C ATOM 2745 O VAL B 80 -4.387 12.735 -15.172 1.00 0.00 O ATOM 2746 CB VAL B 80 -1.777 12.182 -16.936 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -2.892 11.487 -17.717 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -0.675 12.612 -17.902 1.00 0.00 C ATOM 0 H VAL B 80 -0.319 13.943 -15.847 1.00 0.00 H new ATOM 0 HA VAL B 80 -2.979 13.956 -16.947 1.00 0.00 H new ATOM 0 HB VAL B 80 -1.359 11.500 -16.195 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -2.490 10.607 -18.220 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -3.682 11.183 -17.030 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -3.300 12.174 -18.458 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -0.263 11.733 -18.399 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -1.089 13.290 -18.648 1.00 0.00 H new ATOM 0 HG23 VAL B 80 0.115 13.120 -17.349 1.00 0.00 H new ATOM 2758 N THR B 81 -2.606 12.868 -13.905 1.00 0.00 N ATOM 2759 CA THR B 81 -3.369 12.449 -12.700 1.00 0.00 C ATOM 2760 C THR B 81 -4.485 13.453 -12.449 1.00 0.00 C ATOM 2761 O THR B 81 -5.592 13.104 -12.093 1.00 0.00 O ATOM 2762 CB THR B 81 -2.434 12.412 -11.494 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.386 11.483 -11.730 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.216 12.015 -10.237 1.00 0.00 C ATOM 0 H THR B 81 -1.616 13.056 -13.747 1.00 0.00 H new ATOM 0 HA THR B 81 -3.793 11.457 -12.856 1.00 0.00 H new ATOM 0 HB THR B 81 -2.005 13.403 -11.342 1.00 0.00 H new ATOM 0 HG1 THR B 81 -0.593 11.959 -12.054 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.541 11.991 -9.381 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.007 12.743 -10.055 1.00 0.00 H new ATOM 0 HG23 THR B 81 -3.657 11.028 -10.379 1.00 0.00 H new ATOM 2772 N THR B 82 -4.190 14.701 -12.634 1.00 0.00 N ATOM 2773 CA THR B 82 -5.208 15.752 -12.410 1.00 0.00 C ATOM 2774 C THR B 82 -6.387 15.500 -13.354 1.00 0.00 C ATOM 2775 O THR B 82 -7.540 15.638 -12.982 1.00 0.00 O ATOM 2776 CB THR B 82 -4.577 17.114 -12.709 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.362 17.233 -11.981 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.526 18.230 -12.281 1.00 0.00 C ATOM 0 H THR B 82 -3.277 15.042 -12.934 1.00 0.00 H new ATOM 0 HA THR B 82 -5.561 15.736 -11.379 1.00 0.00 H new ATOM 0 HB THR B 82 -4.383 17.195 -13.779 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.126 16.364 -11.594 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.071 19.197 -12.496 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.464 18.140 -12.829 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.722 18.151 -11.212 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.107 15.110 -14.567 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.208 14.827 -15.529 1.00 0.00 C ATOM 2788 C ALA B 83 -8.077 13.703 -14.963 1.00 0.00 C ATOM 2789 O ALA B 83 -9.287 13.725 -15.056 1.00 0.00 O ATOM 2790 CB ALA B 83 -6.614 14.396 -16.875 1.00 0.00 C ATOM 0 H ALA B 83 -5.164 14.975 -14.933 1.00 0.00 H new ATOM 0 HA ALA B 83 -7.813 15.721 -15.679 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -7.420 14.189 -17.579 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -5.986 15.195 -17.268 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.013 13.497 -16.737 1.00 0.00 H new ATOM 2796 N CYS B 84 -7.450 12.724 -14.371 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.195 11.578 -13.783 1.00 0.00 C ATOM 2798 C CYS B 84 -9.153 12.080 -12.703 1.00 0.00 C ATOM 2799 O CYS B 84 -10.217 11.529 -12.503 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.193 10.601 -13.169 1.00 0.00 C ATOM 2801 SG CYS B 84 -5.789 10.416 -14.297 1.00 0.00 S ATOM 0 H CYS B 84 -6.437 12.670 -14.269 1.00 0.00 H new ATOM 0 HA CYS B 84 -8.772 11.077 -14.560 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -6.853 10.968 -12.201 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.667 9.635 -12.995 1.00 0.00 H new ATOM 0 HG CYS B 84 -5.834 9.244 -14.857 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.790 13.120 -12.002 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.696 13.637 -10.944 1.00 0.00 C ATOM 2809 C HIS B 85 -11.012 14.033 -11.602 1.00 0.00 C ATOM 2810 O HIS B 85 -12.078 13.787 -11.079 1.00 0.00 O ATOM 2811 CB HIS B 85 -9.076 14.861 -10.274 1.00 0.00 C ATOM 2812 CG HIS B 85 -10.001 15.362 -9.201 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.139 16.713 -8.910 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -10.842 14.704 -8.336 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.032 16.822 -7.908 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -11.488 15.628 -7.525 1.00 0.00 N ATOM 0 H HIS B 85 -7.913 13.628 -12.116 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.859 12.870 -10.186 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -8.108 14.603 -9.844 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.899 15.643 -11.012 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -10.979 13.634 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.341 17.759 -7.469 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -12.169 15.434 -6.790 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.944 14.628 -12.758 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.195 15.017 -13.459 1.00 0.00 C ATOM 2827 C GLU B 86 -13.014 13.751 -13.713 1.00 0.00 C ATOM 2828 O GLU B 86 -14.221 13.737 -13.573 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.844 15.687 -14.793 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.117 16.198 -15.474 1.00 0.00 C ATOM 2831 CD GLU B 86 -13.696 17.361 -14.667 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.960 17.934 -13.880 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -14.864 17.661 -14.850 1.00 0.00 O ATOM 0 H GLU B 86 -10.079 14.861 -13.246 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.770 15.718 -12.853 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.155 16.515 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.334 14.976 -15.443 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -12.893 16.523 -16.490 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -13.849 15.394 -15.550 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.357 12.683 -14.073 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.082 11.406 -14.330 1.00 0.00 C ATOM 2842 C PHE B 87 -13.456 10.739 -13.003 1.00 0.00 C ATOM 2843 O PHE B 87 -14.362 9.931 -12.943 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.199 10.462 -15.150 1.00 0.00 C ATOM 2845 CG PHE B 87 -12.108 10.967 -16.571 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -13.122 10.663 -17.486 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -11.017 11.745 -16.970 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -13.043 11.136 -18.801 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -10.937 12.220 -18.285 1.00 0.00 C ATOM 2850 CZ PHE B 87 -11.950 11.915 -19.201 1.00 0.00 C ATOM 0 H PHE B 87 -11.346 12.639 -14.201 1.00 0.00 H new ATOM 0 HA PHE B 87 -13.992 11.623 -14.889 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -11.204 10.403 -14.709 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.614 9.454 -15.136 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.966 10.063 -17.178 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -10.235 11.980 -16.263 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -13.825 10.900 -19.507 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -10.094 12.821 -18.592 1.00 0.00 H new ATOM 0 HZ PHE B 87 -11.889 12.280 -20.216 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.765 11.056 -11.938 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.086 10.425 -10.625 1.00 0.00 C ATOM 2862 C PHE B 88 -14.206 11.213 -9.944 1.00 0.00 C ATOM 2863 O PHE B 88 -14.771 10.779 -8.960 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.844 10.441 -9.729 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.095 9.590 -8.505 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.712 10.148 -7.378 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.710 8.243 -8.497 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.946 9.358 -6.245 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.943 7.455 -7.364 1.00 0.00 C ATOM 2870 CZ PHE B 88 -12.561 8.012 -6.238 1.00 0.00 C ATOM 0 H PHE B 88 -11.994 11.723 -11.922 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.405 9.395 -10.788 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.982 10.062 -10.278 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.609 11.463 -9.432 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -13.007 11.187 -7.383 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.233 7.813 -9.365 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -13.424 9.787 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -11.646 6.417 -7.358 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.741 7.403 -5.364 1.00 0.00 H new ATOM 3114 N ARG X 104 16.952 22.385 6.325 1.00 0.00 N ATOM 3115 CA ARG X 104 16.258 21.162 5.841 1.00 0.00 C ATOM 3116 C ARG X 104 15.414 21.506 4.610 1.00 0.00 C ATOM 3117 O ARG X 104 15.194 20.677 3.741 1.00 0.00 O ATOM 3118 CB ARG X 104 15.362 20.608 6.951 1.00 0.00 C ATOM 3119 CG ARG X 104 14.383 21.685 7.414 1.00 0.00 C ATOM 3120 CD ARG X 104 13.652 21.183 8.658 1.00 0.00 C ATOM 3121 NE ARG X 104 14.649 20.887 9.727 1.00 0.00 N ATOM 3122 CZ ARG X 104 14.255 20.690 10.955 1.00 0.00 C ATOM 3123 NH1 ARG X 104 12.988 20.773 11.255 1.00 0.00 N ATOM 3124 NH2 ARG X 104 15.127 20.414 11.886 1.00 0.00 N ATOM 0 HA ARG X 104 16.996 20.407 5.569 1.00 0.00 H new ATOM 0 HB2 ARG X 104 14.814 19.738 6.588 1.00 0.00 H new ATOM 0 HB3 ARG X 104 15.972 20.274 7.790 1.00 0.00 H new ATOM 0 HG2 ARG X 104 14.916 22.609 7.637 1.00 0.00 H new ATOM 0 HG3 ARG X 104 13.669 21.912 6.622 1.00 0.00 H new ATOM 0 HD2 ARG X 104 12.942 21.934 9.005 1.00 0.00 H new ATOM 0 HD3 ARG X 104 13.079 20.287 8.421 1.00 0.00 H new ATOM 0 HE ARG X 104 15.642 20.838 9.497 1.00 0.00 H new ATOM 0 HH11 ARG X 104 12.305 20.992 10.529 1.00 0.00 H new ATOM 0 HH12 ARG X 104 12.680 20.619 12.215 1.00 0.00 H new ATOM 0 HH21 ARG X 104 16.118 20.352 11.654 1.00 0.00 H new ATOM 0 HH22 ARG X 104 14.817 20.260 12.846 1.00 0.00 H new ATOM 3138 N HIS X 105 14.953 22.724 4.508 1.00 0.00 N ATOM 3139 CA HIS X 105 14.150 23.101 3.315 1.00 0.00 C ATOM 3140 C HIS X 105 15.026 22.894 2.081 1.00 0.00 C ATOM 3141 O HIS X 105 14.583 22.416 1.057 1.00 0.00 O ATOM 3142 CB HIS X 105 13.722 24.574 3.414 1.00 0.00 C ATOM 3143 CG HIS X 105 14.915 25.476 3.216 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.583 25.869 2.082 1.00 0.00 N flip ATOM 3145 CD2 HIS X 105 15.573 26.088 4.274 1.00 0.00 C flip ATOM 3146 CE1 HIS X 105 16.635 26.707 2.430 1.00 0.00 C flip ATOM 3147 NE2 HIS X 105 16.587 26.808 3.759 1.00 0.00 N flip ATOM 0 H HIS X 105 15.097 23.466 5.193 1.00 0.00 H new ATOM 0 HA HIS X 105 13.251 22.488 3.252 1.00 0.00 H new ATOM 0 HB2 HIS X 105 12.963 24.791 2.662 1.00 0.00 H new ATOM 0 HB3 HIS X 105 13.270 24.765 4.387 1.00 0.00 H new ATOM 0 HD2 HIS X 105 15.318 26.002 5.320 1.00 0.00 H new ATOM 0 HE1 HIS X 105 17.343 27.178 1.764 1.00 0.00 H new ATOM 0 HE2 HIS X 105 17.238 27.362 4.316 1.00 0.00 H new ATOM 3156 N LYS X 106 16.278 23.245 2.194 1.00 0.00 N ATOM 3157 CA LYS X 106 17.220 23.076 1.056 1.00 0.00 C ATOM 3158 C LYS X 106 17.286 21.597 0.682 1.00 0.00 C ATOM 3159 O LYS X 106 17.533 21.243 -0.454 1.00 0.00 O ATOM 3160 CB LYS X 106 18.613 23.558 1.469 1.00 0.00 C ATOM 3161 CG LYS X 106 19.584 23.391 0.294 1.00 0.00 C ATOM 3162 CD LYS X 106 20.974 23.905 0.689 1.00 0.00 C ATOM 3163 CE LYS X 106 21.694 22.868 1.559 1.00 0.00 C ATOM 3164 NZ LYS X 106 23.131 23.245 1.679 1.00 0.00 N ATOM 0 H LYS X 106 16.691 23.646 3.036 1.00 0.00 H new ATOM 0 HA LYS X 106 16.875 23.659 0.202 1.00 0.00 H new ATOM 0 HB2 LYS X 106 18.572 24.604 1.774 1.00 0.00 H new ATOM 0 HB3 LYS X 106 18.966 22.989 2.329 1.00 0.00 H new ATOM 0 HG2 LYS X 106 19.643 22.341 0.006 1.00 0.00 H new ATOM 0 HG3 LYS X 106 19.217 23.939 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS X 106 21.562 24.111 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS X 106 20.881 24.845 1.233 1.00 0.00 H new ATOM 0 HE2 LYS X 106 21.234 22.821 2.546 1.00 0.00 H new ATOM 0 HE3 LYS X 106 21.601 21.876 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 23.625 22.545 2.268 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 23.564 23.269 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 23.208 24.184 2.119 1.00 0.00 H new ATOM 3178 N LYS X 107 17.083 20.731 1.635 1.00 0.00 N ATOM 3179 CA LYS X 107 17.150 19.276 1.340 1.00 0.00 C ATOM 3180 C LYS X 107 16.129 18.942 0.255 1.00 0.00 C ATOM 3181 O LYS X 107 16.400 18.160 -0.628 1.00 0.00 O ATOM 3182 CB LYS X 107 16.848 18.474 2.609 1.00 0.00 C ATOM 3183 CG LYS X 107 17.158 16.998 2.363 1.00 0.00 C ATOM 3184 CD LYS X 107 16.987 16.220 3.667 1.00 0.00 C ATOM 3185 CE LYS X 107 17.270 14.739 3.421 1.00 0.00 C ATOM 3186 NZ LYS X 107 17.285 14.017 4.724 1.00 0.00 N ATOM 0 H LYS X 107 16.874 20.969 2.604 1.00 0.00 H new ATOM 0 HA LYS X 107 18.150 19.016 0.992 1.00 0.00 H new ATOM 0 HB2 LYS X 107 17.446 18.849 3.440 1.00 0.00 H new ATOM 0 HB3 LYS X 107 15.802 18.595 2.889 1.00 0.00 H new ATOM 0 HG2 LYS X 107 16.493 16.598 1.598 1.00 0.00 H new ATOM 0 HG3 LYS X 107 18.176 16.886 1.990 1.00 0.00 H new ATOM 0 HD2 LYS X 107 17.666 16.609 4.426 1.00 0.00 H new ATOM 0 HD3 LYS X 107 15.974 16.349 4.049 1.00 0.00 H new ATOM 0 HE2 LYS X 107 16.508 14.315 2.766 1.00 0.00 H new ATOM 0 HE3 LYS X 107 18.228 14.619 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 17.477 13.008 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 18.027 14.416 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 16.361 14.122 5.190 1.00 0.00 H new ATOM 3200 N LEU X 108 14.963 19.531 0.312 1.00 0.00 N ATOM 3201 CA LEU X 108 13.924 19.260 -0.736 1.00 0.00 C ATOM 3202 C LEU X 108 14.236 20.084 -2.001 1.00 0.00 C ATOM 3203 O LEU X 108 13.829 19.754 -3.108 1.00 0.00 O ATOM 3204 CB LEU X 108 12.537 19.650 -0.201 1.00 0.00 C ATOM 3205 CG LEU X 108 11.433 19.015 -1.078 1.00 0.00 C ATOM 3206 CD1 LEU X 108 11.133 17.584 -0.610 1.00 0.00 C ATOM 3207 CD2 LEU X 108 10.147 19.843 -0.983 1.00 0.00 C ATOM 0 H LEU X 108 14.681 20.189 1.038 1.00 0.00 H new ATOM 0 HA LEU X 108 13.932 18.199 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU X 108 12.430 19.316 0.831 1.00 0.00 H new ATOM 0 HB3 LEU X 108 12.431 20.735 -0.198 1.00 0.00 H new ATOM 0 HG LEU X 108 11.787 18.994 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU X 108 10.354 17.152 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU X 108 12.037 16.979 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU X 108 10.795 17.603 0.426 1.00 0.00 H new ATOM 0 HD21 LEU X 108 9.375 19.388 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU X 108 9.809 19.873 0.053 1.00 0.00 H new ATOM 0 HD23 LEU X 108 10.341 20.858 -1.330 1.00 0.00 H new ATOM 3219 N MET X 109 14.937 21.170 -1.849 1.00 0.00 N ATOM 3220 CA MET X 109 15.249 22.024 -3.029 1.00 0.00 C ATOM 3221 C MET X 109 16.061 21.248 -4.071 1.00 0.00 C ATOM 3222 O MET X 109 16.062 21.596 -5.233 1.00 0.00 O ATOM 3223 CB MET X 109 16.039 23.261 -2.593 1.00 0.00 C ATOM 3224 CG MET X 109 15.148 24.180 -1.749 1.00 0.00 C ATOM 3225 SD MET X 109 13.788 24.827 -2.765 1.00 0.00 S ATOM 3226 CE MET X 109 12.409 24.185 -1.777 1.00 0.00 C ATOM 0 H MET X 109 15.308 21.505 -0.960 1.00 0.00 H new ATOM 0 HA MET X 109 14.304 22.331 -3.477 1.00 0.00 H new ATOM 0 HB2 MET X 109 16.914 22.960 -2.017 1.00 0.00 H new ATOM 0 HB3 MET X 109 16.403 23.798 -3.469 1.00 0.00 H new ATOM 0 HG2 MET X 109 14.747 23.630 -0.897 1.00 0.00 H new ATOM 0 HG3 MET X 109 15.738 25.004 -1.348 1.00 0.00 H new ATOM 0 HE1 MET X 109 11.465 24.477 -2.237 1.00 0.00 H new ATOM 0 HE2 MET X 109 12.470 23.098 -1.731 1.00 0.00 H new ATOM 0 HE3 MET X 109 12.463 24.594 -0.768 1.00 0.00 H new ATOM 3236 N PHE X 110 16.782 20.229 -3.679 1.00 0.00 N ATOM 3237 CA PHE X 110 17.612 19.494 -4.682 1.00 0.00 C ATOM 3238 C PHE X 110 16.802 19.227 -5.958 1.00 0.00 C ATOM 3239 O PHE X 110 17.317 19.357 -7.047 1.00 0.00 O ATOM 3240 CB PHE X 110 18.170 18.194 -4.078 1.00 0.00 C ATOM 3241 CG PHE X 110 17.140 17.076 -4.025 1.00 0.00 C ATOM 3242 CD1 PHE X 110 15.966 17.222 -3.274 1.00 0.00 C ATOM 3243 CD2 PHE X 110 17.399 15.856 -4.673 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.058 16.161 -3.171 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.484 14.802 -4.581 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.315 14.953 -3.828 1.00 0.00 C ATOM 0 H PHE X 110 16.833 19.877 -2.723 1.00 0.00 H new ATOM 0 HA PHE X 110 18.463 20.117 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE X 110 19.027 17.864 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE X 110 18.534 18.394 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE X 110 15.761 18.156 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.307 15.732 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE X 110 14.159 16.275 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.680 13.871 -5.092 1.00 0.00 H new ATOM 0 HZ PHE X 110 14.611 14.137 -3.754 1.00 0.00 H new ATOM 3256 N LYS X 111 15.543 18.899 -5.852 1.00 0.00 N ATOM 3257 CA LYS X 111 14.732 18.689 -7.093 1.00 0.00 C ATOM 3258 C LYS X 111 14.527 20.034 -7.768 1.00 0.00 C ATOM 3259 O LYS X 111 14.564 20.154 -8.976 1.00 0.00 O ATOM 3260 CB LYS X 111 13.368 18.130 -6.743 1.00 0.00 C ATOM 3261 CG LYS X 111 13.531 16.703 -6.246 1.00 0.00 C ATOM 3262 CD LYS X 111 12.231 16.254 -5.586 1.00 0.00 C ATOM 3263 CE LYS X 111 11.966 17.067 -4.296 1.00 0.00 C ATOM 3264 NZ LYS X 111 11.547 16.143 -3.207 1.00 0.00 N ATOM 0 H LYS X 111 15.043 18.768 -4.973 1.00 0.00 H new ATOM 0 HA LYS X 111 15.256 17.992 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS X 111 12.895 18.744 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS X 111 12.716 18.152 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS X 111 13.780 16.042 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS X 111 14.354 16.644 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS X 111 11.401 16.383 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.286 15.192 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS X 111 12.866 17.608 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS X 111 11.190 17.811 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 10.670 16.494 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 11.383 15.194 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 12.295 16.094 -2.486 1.00 0.00 H new ATOM 3278 N THR X 112 14.288 21.054 -6.992 1.00 0.00 N ATOM 3279 CA THR X 112 14.076 22.392 -7.602 1.00 0.00 C ATOM 3280 C THR X 112 15.334 22.759 -8.399 1.00 0.00 C ATOM 3281 O THR X 112 15.283 23.491 -9.367 1.00 0.00 O ATOM 3282 CB THR X 112 13.761 23.421 -6.490 1.00 0.00 C ATOM 3283 OG1 THR X 112 12.643 24.202 -6.886 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.954 24.348 -6.207 1.00 0.00 C ATOM 0 H THR X 112 14.231 21.019 -5.974 1.00 0.00 H new ATOM 0 HA THR X 112 13.226 22.388 -8.284 1.00 0.00 H new ATOM 0 HB THR X 112 13.544 22.871 -5.574 1.00 0.00 H new ATOM 0 HG1 THR X 112 12.436 24.855 -6.186 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.688 25.054 -5.420 1.00 0.00 H new ATOM 0 HG22 THR X 112 15.809 23.753 -5.887 1.00 0.00 H new ATOM 0 HG23 THR X 112 15.212 24.896 -7.113 1.00 0.00 H new ATOM 3292 N GLU X 113 16.463 22.240 -7.992 1.00 0.00 N ATOM 3293 CA GLU X 113 17.736 22.534 -8.710 1.00 0.00 C ATOM 3294 CB GLU X 113 17.783 21.741 -10.022 1.00 0.00 C ATOM 3295 CG GLU X 113 17.749 20.236 -9.725 1.00 0.00 C ATOM 3296 CD GLU X 113 17.802 19.456 -11.039 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.801 20.090 -12.082 1.00 0.00 O ATOM 3298 OE2 GLU X 113 17.840 18.238 -10.981 1.00 0.00 O ATOM 0 H GLU X 113 16.557 21.621 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.938 22.015 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.688 21.991 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.592 19.960 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.842 19.983 -9.176 1.00 0.00 H new ATOM 3493 N ARG Y 104 -6.643 15.195 -30.648 1.00 0.00 N ATOM 3494 CA ARG Y 104 -6.705 14.570 -29.300 1.00 0.00 C ATOM 3495 C ARG Y 104 -5.527 15.066 -28.453 1.00 0.00 C ATOM 3496 O ARG Y 104 -5.614 15.158 -27.239 1.00 0.00 O ATOM 3497 CB ARG Y 104 -6.647 13.049 -29.440 1.00 0.00 C ATOM 3498 CG ARG Y 104 -5.376 12.646 -30.186 1.00 0.00 C ATOM 3499 CD ARG Y 104 -5.439 11.155 -30.517 1.00 0.00 C ATOM 3500 NE ARG Y 104 -6.669 10.877 -31.314 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -6.812 9.730 -31.920 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -5.874 8.829 -31.839 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -7.894 9.482 -32.607 1.00 0.00 N ATOM 0 HA ARG Y 104 -7.638 14.847 -28.809 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -6.665 12.583 -28.455 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -7.525 12.690 -29.978 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -5.276 13.230 -31.101 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -4.499 12.858 -29.575 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -4.553 10.858 -31.079 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -5.446 10.567 -29.599 1.00 0.00 H new ATOM 0 HE ARG Y 104 -7.400 11.585 -31.385 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -5.028 9.020 -31.302 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -5.986 7.933 -32.313 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -8.630 10.185 -32.671 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -8.003 8.585 -33.080 1.00 0.00 H new ATOM 3517 N HIS Y 105 -4.432 15.412 -29.076 1.00 0.00 N ATOM 3518 CA HIS Y 105 -3.279 15.922 -28.286 1.00 0.00 C ATOM 3519 C HIS Y 105 -3.743 17.176 -27.545 1.00 0.00 C ATOM 3520 O HIS Y 105 -3.416 17.395 -26.398 1.00 0.00 O ATOM 3521 CB HIS Y 105 -2.109 16.270 -29.222 1.00 0.00 C ATOM 3522 CG HIS Y 105 -2.437 17.502 -30.025 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -2.413 18.835 -29.698 1.00 0.00 N flip ATOM 3524 CD2 HIS Y 105 -2.862 17.443 -31.344 1.00 0.00 C flip ATOM 3525 CE1 HIS Y 105 -2.814 19.589 -30.794 1.00 0.00 C flip ATOM 3526 NE2 HIS Y 105 -3.074 18.706 -31.759 1.00 0.00 N flip ATOM 0 H HIS Y 105 -4.288 15.364 -30.085 1.00 0.00 H new ATOM 0 HA HIS Y 105 -2.937 15.164 -27.581 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -1.204 16.437 -28.638 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -1.907 15.433 -29.891 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -2.998 16.547 -31.931 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -2.898 20.664 -30.852 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -3.394 18.956 -32.695 1.00 0.00 H new ATOM 3535 N LYS Y 106 -4.523 17.988 -28.209 1.00 0.00 N ATOM 3536 CA LYS Y 106 -5.039 19.233 -27.579 1.00 0.00 C ATOM 3537 C LYS Y 106 -5.861 18.863 -26.345 1.00 0.00 C ATOM 3538 O LYS Y 106 -5.953 19.618 -25.398 1.00 0.00 O ATOM 3539 CB LYS Y 106 -5.933 19.978 -28.574 1.00 0.00 C ATOM 3540 CG LYS Y 106 -6.453 21.271 -27.934 1.00 0.00 C ATOM 3541 CD LYS Y 106 -7.319 22.038 -28.941 1.00 0.00 C ATOM 3542 CE LYS Y 106 -8.703 21.389 -29.052 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.628 22.320 -29.758 1.00 0.00 N ATOM 0 H LYS Y 106 -4.826 17.838 -29.171 1.00 0.00 H new ATOM 0 HA LYS Y 106 -4.204 19.872 -27.292 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -5.372 20.209 -29.479 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -6.770 19.345 -28.870 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -7.036 21.038 -27.043 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -5.616 21.891 -27.614 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -7.421 23.077 -28.627 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -6.834 22.046 -29.917 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -8.633 20.446 -29.595 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -9.089 21.157 -28.059 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -10.568 21.883 -29.835 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -9.702 23.208 -29.222 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -9.260 22.520 -30.710 1.00 0.00 H new ATOM 3557 N LYS Y 107 -6.472 17.712 -26.356 1.00 0.00 N ATOM 3558 CA LYS Y 107 -7.301 17.301 -25.193 1.00 0.00 C ATOM 3559 C LYS Y 107 -6.430 17.293 -23.940 1.00 0.00 C ATOM 3560 O LYS Y 107 -6.861 17.702 -22.887 1.00 0.00 O ATOM 3561 CB LYS Y 107 -7.874 15.905 -25.438 1.00 0.00 C ATOM 3562 CG LYS Y 107 -8.916 15.583 -24.366 1.00 0.00 C ATOM 3563 CD LYS Y 107 -9.593 14.253 -24.701 1.00 0.00 C ATOM 3564 CE LYS Y 107 -10.638 13.924 -23.632 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -11.375 12.690 -24.024 1.00 0.00 N ATOM 0 H LYS Y 107 -6.432 17.039 -27.121 1.00 0.00 H new ATOM 0 HA LYS Y 107 -8.125 18.002 -25.060 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -8.328 15.856 -26.428 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -7.075 15.164 -25.417 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -8.441 15.526 -23.387 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -9.659 16.379 -24.314 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -10.067 14.311 -25.681 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -8.849 13.458 -24.753 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -10.154 13.780 -22.666 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -11.333 14.756 -23.519 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -12.086 12.465 -23.299 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -11.849 12.844 -24.937 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -10.706 11.899 -24.110 1.00 0.00 H new ATOM 3579 N LEU Y 108 -5.210 16.838 -24.049 1.00 0.00 N ATOM 3580 CA LEU Y 108 -4.299 16.822 -22.857 1.00 0.00 C ATOM 3581 C LEU Y 108 -3.714 18.231 -22.634 1.00 0.00 C ATOM 3582 O LEU Y 108 -3.304 18.597 -21.540 1.00 0.00 O ATOM 3583 CB LEU Y 108 -3.153 15.826 -23.095 1.00 0.00 C ATOM 3584 CG LEU Y 108 -2.446 15.497 -21.759 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -3.182 14.361 -21.035 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -0.997 15.063 -22.030 1.00 0.00 C ATOM 0 H LEU Y 108 -4.801 16.476 -24.910 1.00 0.00 H new ATOM 0 HA LEU Y 108 -4.866 16.519 -21.976 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -3.543 14.912 -23.543 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -2.436 16.247 -23.800 1.00 0.00 H new ATOM 0 HG LEU Y 108 -2.453 16.389 -21.133 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -2.675 14.139 -20.096 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -4.208 14.665 -20.830 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -3.186 13.471 -21.664 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -0.504 14.832 -21.086 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -0.995 14.178 -22.666 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -0.463 15.871 -22.531 1.00 0.00 H new ATOM 3598 N MET Y 109 -3.650 19.023 -23.665 1.00 0.00 N ATOM 3599 CA MET Y 109 -3.071 20.386 -23.517 1.00 0.00 C ATOM 3600 C MET Y 109 -3.872 21.216 -22.509 1.00 0.00 C ATOM 3601 O MET Y 109 -3.359 22.161 -21.947 1.00 0.00 O ATOM 3602 CB MET Y 109 -3.057 21.105 -24.869 1.00 0.00 C ATOM 3603 CG MET Y 109 -2.067 20.414 -25.813 1.00 0.00 C ATOM 3604 SD MET Y 109 -0.374 20.613 -25.185 1.00 0.00 S ATOM 3605 CE MET Y 109 0.031 18.857 -24.974 1.00 0.00 C ATOM 0 H MET Y 109 -3.973 18.787 -24.603 1.00 0.00 H new ATOM 0 HA MET Y 109 -2.050 20.278 -23.150 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -4.056 21.098 -25.306 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -2.776 22.149 -24.733 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -2.311 19.355 -25.898 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -2.146 20.841 -26.813 1.00 0.00 H new ATOM 0 HE1 MET Y 109 1.047 18.761 -24.590 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -0.667 18.405 -24.270 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -0.043 18.349 -25.935 1.00 0.00 H new ATOM 3615 N PHE Y 110 -5.126 20.914 -22.296 1.00 0.00 N ATOM 3616 CA PHE Y 110 -5.926 21.748 -21.347 1.00 0.00 C ATOM 3617 C PHE Y 110 -5.128 22.022 -20.066 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.156 23.118 -19.550 1.00 0.00 O ATOM 3619 CB PHE Y 110 -7.279 21.084 -21.046 1.00 0.00 C ATOM 3620 CG PHE Y 110 -7.168 19.945 -20.044 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -6.382 18.820 -20.327 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -7.912 19.988 -18.854 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -6.340 17.746 -19.429 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -7.858 18.921 -17.951 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.074 17.799 -18.240 1.00 0.00 C ATOM 0 H PHE Y 110 -5.626 20.138 -22.730 1.00 0.00 H new ATOM 0 HA PHE Y 110 -6.133 22.709 -21.817 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -7.969 21.835 -20.661 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -7.707 20.705 -21.974 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -5.807 18.781 -21.240 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.528 20.848 -18.635 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -5.740 16.877 -19.655 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.422 18.963 -17.031 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.036 16.974 -17.545 1.00 0.00 H new ATOM 3635 N LYS Y 111 -4.387 21.070 -19.568 1.00 0.00 N ATOM 3636 CA LYS Y 111 -3.562 21.341 -18.348 1.00 0.00 C ATOM 3637 C LYS Y 111 -2.433 22.283 -18.729 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.067 23.171 -17.986 1.00 0.00 O ATOM 3639 CB LYS Y 111 -2.942 20.058 -17.830 1.00 0.00 C ATOM 3640 CG LYS Y 111 -4.035 19.178 -17.247 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.487 17.766 -17.038 1.00 0.00 C ATOM 3642 CE LYS Y 111 -3.150 17.107 -18.396 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -3.660 15.709 -18.408 1.00 0.00 N ATOM 0 H LYS Y 111 -4.315 20.125 -19.945 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.201 21.774 -17.578 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -2.429 19.535 -18.637 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -2.194 20.282 -17.070 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -4.383 19.590 -16.300 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -4.894 19.152 -17.918 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -2.594 17.805 -16.415 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.220 17.160 -16.506 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -3.599 17.676 -19.210 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -2.072 17.114 -18.558 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.885 15.059 -18.651 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -4.033 15.467 -17.468 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -4.419 15.622 -19.114 1.00 0.00 H new ATOM 3657 N THR Y 112 -1.860 22.080 -19.883 1.00 0.00 N ATOM 3658 CA THR Y 112 -0.745 22.967 -20.303 1.00 0.00 C ATOM 3659 C THR Y 112 -1.277 24.406 -20.356 1.00 0.00 C ATOM 3660 O THR Y 112 -0.550 25.360 -20.162 1.00 0.00 O ATOM 3661 CB THR Y 112 -0.191 22.486 -21.666 1.00 0.00 C ATOM 3662 OG1 THR Y 112 1.228 22.460 -21.609 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.635 23.393 -22.825 1.00 0.00 C ATOM 0 H THR Y 112 -2.113 21.347 -20.545 1.00 0.00 H new ATOM 0 HA THR Y 112 0.083 22.934 -19.595 1.00 0.00 H new ATOM 0 HB THR Y 112 -0.589 21.489 -21.854 1.00 0.00 H new ATOM 0 HG1 THR Y 112 1.584 22.154 -22.469 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.222 23.016 -23.761 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.723 23.400 -22.885 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -0.275 24.407 -22.652 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.550 24.554 -20.610 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.159 25.914 -20.671 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.316 26.476 -19.252 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.252 25.578 -18.432 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.404 26.152 -17.022 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.755 27.143 -16.733 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -5.165 25.587 -16.254 1.00 0.00 O ATOM 0 H GLU Y 113 -3.198 23.785 -20.779 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.342 26.539 -18.767 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.716 27.489 -19.295 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.226 25.512 -18.916 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.851 24.566 -18.383 1.00 0.00 H new