USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 GLN : amide:sc= -1.57 K(o=-9,f=-11!) USER MOD Set 1.2: A 120 TYR OH : rot -34:sc= -7.44! USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0.277 USER MOD Set 2.2: A 100 SER OG : rot 105:sc= 0.299 USER MOD Set 3.1: A 78 ASN :FLIP amide:sc= 0.747 F(o=-1.4,f=1.7) USER MOD Set 3.2: A 80 SER OG : rot 94:sc= 0.982 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.518 K(o=1.3,f=-0.25) USER MOD Set 4.2: A 10 THR OG1 : rot 34:sc= 0.826 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.695 F(o=-2.1,f=-0.7) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 130:sc= -2.14 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.0367 F(o=-1.9!,f=0.037) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 29:sc= 0.0961 USER MOD Single : A 33 THR OG1 : rot -172:sc= -0.585! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -20.8! C(o=-21!,f=-24!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 149:sc= -0.497 (180deg=-2.54!) USER MOD Single : A 43 THR OG1 : rot 36:sc= -3.32! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 166:sc= 0 (180deg=-0.0839) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.19! USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.0574 (180deg=-0.105) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 35:sc= -1.96! USER MOD Single : A 63 THR OG1 : rot -160:sc= -4.33! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -57:sc= 1.23 USER MOD Single : A 70 CYS SG : rot 180:sc= 0.0879 USER MOD Single : A 72 TYR OH : rot 165:sc= -1.97! USER MOD Single : A 74 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-8.1!) USER MOD Single : A 76 SER OG : rot 160:sc= 0.449! USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -7.9! C(o=-8.5!,f=-7.9!) USER MOD Single : A 98 THR OG1 : rot 13:sc= 0.675! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot -38:sc= 0.432 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00634 USER MOD Single : A 117 THR OG1 : rot 68:sc= 0.813 USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= -0.17 (180deg=-1.43) USER MOD Single : A 119 THR OG1 : rot 105:sc= -11.1! USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0471 USER MOD ----------------------------------------------------------------- ATOM 27 N CYS A 3 -4.487 13.748 1.498 1.00 0.00 N ATOM 28 CA CYS A 3 -3.281 14.555 1.588 1.00 0.00 C ATOM 29 C CYS A 3 -2.184 14.052 0.648 1.00 0.00 C ATOM 30 O CYS A 3 -2.413 13.170 -0.183 1.00 0.00 O ATOM 31 CB CYS A 3 -2.799 14.600 3.047 1.00 0.00 C ATOM 32 SG CYS A 3 -1.370 13.552 3.469 1.00 0.00 S ATOM 0 HA CYS A 3 -3.520 15.568 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.548 15.632 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.632 14.315 3.690 1.00 0.00 H new ATOM 37 N VAL A 4 -0.996 14.639 0.782 1.00 0.00 N ATOM 38 CA VAL A 4 0.138 14.280 -0.055 1.00 0.00 C ATOM 39 C VAL A 4 1.041 13.258 0.644 1.00 0.00 C ATOM 40 O VAL A 4 1.182 13.278 1.865 1.00 0.00 O ATOM 41 CB VAL A 4 0.944 15.545 -0.448 1.00 0.00 C ATOM 42 CG1 VAL A 4 1.313 16.364 0.781 1.00 0.00 C ATOM 43 CG2 VAL A 4 2.191 15.203 -1.245 1.00 0.00 C ATOM 0 H VAL A 4 -0.797 15.368 1.467 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.247 13.818 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 4 0.296 16.145 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.878 17.245 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.405 16.676 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.921 15.758 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.724 16.120 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.839 14.560 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.907 14.684 -2.160 1.00 0.00 H new ATOM 53 N PRO A 5 1.653 12.333 -0.129 1.00 0.00 N ATOM 54 CA PRO A 5 2.530 11.284 0.416 1.00 0.00 C ATOM 55 C PRO A 5 3.480 11.799 1.502 1.00 0.00 C ATOM 56 O PRO A 5 4.392 12.575 1.225 1.00 0.00 O ATOM 57 CB PRO A 5 3.290 10.816 -0.825 1.00 0.00 C ATOM 58 CG PRO A 5 2.276 10.949 -1.907 1.00 0.00 C ATOM 59 CD PRO A 5 1.531 12.219 -1.599 1.00 0.00 C ATOM 0 HA PRO A 5 1.975 10.493 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.168 11.432 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.638 9.788 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.751 10.999 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.603 10.092 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.970 13.077 -2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.489 12.161 -1.914 1.00 0.00 H new ATOM 67 N PRO A 6 3.250 11.385 2.765 1.00 0.00 N ATOM 68 CA PRO A 6 4.047 11.806 3.922 1.00 0.00 C ATOM 69 C PRO A 6 5.306 10.986 4.169 1.00 0.00 C ATOM 70 O PRO A 6 5.382 9.817 3.793 1.00 0.00 O ATOM 71 CB PRO A 6 3.069 11.643 5.104 1.00 0.00 C ATOM 72 CG PRO A 6 1.815 11.042 4.542 1.00 0.00 C ATOM 73 CD PRO A 6 2.165 10.501 3.186 1.00 0.00 C ATOM 0 HA PRO A 6 4.427 12.816 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.495 11.000 5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.862 12.606 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.442 10.249 5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.027 11.791 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.485 9.460 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.318 10.543 2.501 1.00 0.00 H new ATOM 81 N HIS A 7 6.300 11.632 4.785 1.00 0.00 N ATOM 82 CA HIS A 7 7.590 11.005 5.077 1.00 0.00 C ATOM 83 C HIS A 7 7.475 9.500 5.288 1.00 0.00 C ATOM 84 O HIS A 7 6.658 9.021 6.075 1.00 0.00 O ATOM 85 CB HIS A 7 8.240 11.650 6.308 1.00 0.00 C ATOM 86 CG HIS A 7 7.288 12.419 7.173 1.00 0.00 C ATOM 87 ND1 HIS A 7 6.120 12.051 7.749 1.00 0.00 N flip ATOM 88 CD2 HIS A 7 7.493 13.737 7.529 1.00 0.00 C flip ATOM 89 CE1 HIS A 7 5.647 13.141 8.436 1.00 0.00 C flip ATOM 90 NE2 HIS A 7 6.493 14.143 8.288 1.00 0.00 N flip ATOM 0 H HIS A 7 6.233 12.602 5.094 1.00 0.00 H new ATOM 0 HA HIS A 7 8.219 11.169 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.709 10.870 6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.034 12.319 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.338 14.340 7.233 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.730 13.173 9.006 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.391 15.074 8.692 1.00 0.00 H new ATOM 99 N PRO A 8 8.322 8.740 4.578 1.00 0.00 N ATOM 100 CA PRO A 8 8.362 7.285 4.661 1.00 0.00 C ATOM 101 C PRO A 8 8.858 6.804 5.998 1.00 0.00 C ATOM 102 O PRO A 8 8.558 5.679 6.396 1.00 0.00 O ATOM 103 CB PRO A 8 9.330 6.895 3.560 1.00 0.00 C ATOM 104 CG PRO A 8 10.240 8.054 3.528 1.00 0.00 C ATOM 105 CD PRO A 8 9.334 9.239 3.644 1.00 0.00 C ATOM 0 HA PRO A 8 7.372 6.842 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.857 5.969 3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.824 6.747 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.957 8.020 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.816 8.082 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.853 10.116 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.903 9.522 2.684 1.00 0.00 H new ATOM 113 N GLN A 9 9.542 7.665 6.754 1.00 0.00 N ATOM 114 CA GLN A 9 9.946 7.286 8.083 1.00 0.00 C ATOM 115 C GLN A 9 8.651 6.918 8.733 1.00 0.00 C ATOM 116 O GLN A 9 8.359 5.757 9.016 1.00 0.00 O ATOM 117 CB GLN A 9 10.581 8.506 8.773 1.00 0.00 C ATOM 118 CG GLN A 9 10.610 8.447 10.298 1.00 0.00 C ATOM 119 CD GLN A 9 9.741 9.507 10.940 1.00 0.00 C ATOM 120 OE1 GLN A 9 8.833 9.194 11.706 1.00 0.00 O ATOM 121 NE2 GLN A 9 10.017 10.771 10.633 1.00 0.00 N ATOM 0 H GLN A 9 9.816 8.604 6.466 1.00 0.00 H new ATOM 0 HA GLN A 9 10.678 6.479 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.603 8.618 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.035 9.400 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 9 10.277 7.462 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.637 8.567 10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.781 10.985 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.465 11.527 11.039 1.00 0.00 H new ATOM 130 N THR A 10 7.882 7.965 8.931 1.00 0.00 N ATOM 131 CA THR A 10 6.589 7.854 9.520 1.00 0.00 C ATOM 132 C THR A 10 5.734 6.827 8.789 1.00 0.00 C ATOM 133 O THR A 10 5.199 5.921 9.422 1.00 0.00 O ATOM 134 CB THR A 10 5.944 9.251 9.534 1.00 0.00 C ATOM 135 OG1 THR A 10 6.210 9.909 10.760 1.00 0.00 O ATOM 136 CG2 THR A 10 4.443 9.298 9.293 1.00 0.00 C ATOM 0 H THR A 10 8.148 8.918 8.683 1.00 0.00 H new ATOM 0 HA THR A 10 6.674 7.493 10.545 1.00 0.00 H new ATOM 0 HB THR A 10 6.407 9.753 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.097 9.648 11.086 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.101 10.333 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.218 8.872 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.932 8.723 10.065 1.00 0.00 H new ATOM 144 N ALA A 11 5.580 6.951 7.472 1.00 0.00 N ATOM 145 CA ALA A 11 4.762 6.018 6.711 1.00 0.00 C ATOM 146 C ALA A 11 5.187 4.557 6.867 1.00 0.00 C ATOM 147 O ALA A 11 4.338 3.685 7.029 1.00 0.00 O ATOM 148 CB ALA A 11 4.772 6.392 5.247 1.00 0.00 C ATOM 0 H ALA A 11 6.011 7.688 6.914 1.00 0.00 H new ATOM 0 HA ALA A 11 3.755 6.097 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.157 5.687 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.372 7.399 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.794 6.360 4.870 1.00 0.00 H new ATOM 154 N PHE A 12 6.477 4.268 6.801 1.00 0.00 N ATOM 155 CA PHE A 12 6.919 2.883 6.923 1.00 0.00 C ATOM 156 C PHE A 12 6.602 2.324 8.287 1.00 0.00 C ATOM 157 O PHE A 12 5.953 1.288 8.419 1.00 0.00 O ATOM 158 CB PHE A 12 8.416 2.753 6.656 1.00 0.00 C ATOM 159 CG PHE A 12 8.790 1.441 6.026 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.758 1.292 4.651 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.178 0.356 6.805 1.00 0.00 C ATOM 162 CE1 PHE A 12 9.107 0.095 4.060 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.527 -0.844 6.215 1.00 0.00 C ATOM 164 CZ PHE A 12 9.492 -0.972 4.840 1.00 0.00 C ATOM 0 H PHE A 12 7.222 4.952 6.667 1.00 0.00 H new ATOM 0 HA PHE A 12 6.375 2.310 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.735 3.566 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.958 2.866 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.456 2.124 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.207 0.452 7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.078 -0.005 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.827 -1.681 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.766 -1.908 4.377 1.00 0.00 H new ATOM 174 N CYS A 13 7.133 2.980 9.299 1.00 0.00 N ATOM 175 CA CYS A 13 6.984 2.508 10.655 1.00 0.00 C ATOM 176 C CYS A 13 5.573 2.642 11.193 1.00 0.00 C ATOM 177 O CYS A 13 5.041 1.695 11.776 1.00 0.00 O ATOM 178 CB CYS A 13 7.961 3.245 11.574 1.00 0.00 C ATOM 179 SG CYS A 13 9.476 2.306 11.949 1.00 0.00 S ATOM 0 H CYS A 13 7.671 3.841 9.205 1.00 0.00 H new ATOM 0 HA CYS A 13 7.209 1.442 10.636 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.238 4.191 11.109 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.454 3.485 12.508 1.00 0.00 H new ATOM 184 N ASN A 14 4.948 3.797 10.995 1.00 0.00 N ATOM 185 CA ASN A 14 3.597 3.962 11.479 1.00 0.00 C ATOM 186 C ASN A 14 2.657 2.924 10.852 1.00 0.00 C ATOM 187 O ASN A 14 1.785 2.395 11.547 1.00 0.00 O ATOM 188 CB ASN A 14 3.081 5.381 11.210 1.00 0.00 C ATOM 189 CG ASN A 14 2.759 6.128 12.489 1.00 0.00 C ATOM 190 OD1 ASN A 14 1.858 5.749 13.233 1.00 0.00 O ATOM 191 ND2 ASN A 14 3.503 7.199 12.749 1.00 0.00 N ATOM 0 H ASN A 14 5.346 4.606 10.517 1.00 0.00 H new ATOM 0 HA ASN A 14 3.613 3.804 12.557 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.830 5.937 10.646 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.188 5.329 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.336 7.743 13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.241 7.477 12.102 1.00 0.00 H new ATOM 198 N SER A 15 2.804 2.625 9.540 1.00 0.00 N ATOM 199 CA SER A 15 1.961 1.683 8.874 1.00 0.00 C ATOM 200 C SER A 15 2.285 0.256 9.244 1.00 0.00 C ATOM 201 O SER A 15 3.413 -0.124 9.561 1.00 0.00 O ATOM 202 CB SER A 15 2.040 1.821 7.366 1.00 0.00 C ATOM 203 OG SER A 15 0.748 1.802 6.789 1.00 0.00 O ATOM 0 H SER A 15 3.516 3.044 8.941 1.00 0.00 H new ATOM 0 HA SER A 15 0.949 1.913 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.544 2.752 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.639 1.009 6.953 1.00 0.00 H new ATOM 0 HG SER A 15 0.651 2.563 6.180 1.00 0.00 H new ATOM 209 N ASP A 16 1.229 -0.484 9.221 1.00 0.00 N ATOM 210 CA ASP A 16 1.216 -1.896 9.570 1.00 0.00 C ATOM 211 C ASP A 16 1.230 -2.821 8.366 1.00 0.00 C ATOM 212 O ASP A 16 1.270 -4.043 8.505 1.00 0.00 O ATOM 213 CB ASP A 16 -0.040 -2.186 10.385 1.00 0.00 C ATOM 214 CG ASP A 16 0.158 -1.994 11.873 1.00 0.00 C ATOM 215 OD1 ASP A 16 0.491 -0.863 12.284 1.00 0.00 O ATOM 216 OD2 ASP A 16 -0.034 -2.969 12.629 1.00 0.00 O ATOM 0 H ASP A 16 0.312 -0.127 8.952 1.00 0.00 H new ATOM 0 HA ASP A 16 2.128 -2.090 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.845 -1.534 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.359 -3.211 10.197 1.00 0.00 H new ATOM 221 N LEU A 17 1.380 -2.223 7.202 1.00 0.00 N ATOM 222 CA LEU A 17 1.601 -3.001 5.994 1.00 0.00 C ATOM 223 C LEU A 17 2.322 -2.160 4.953 1.00 0.00 C ATOM 224 O LEU A 17 1.786 -1.182 4.445 1.00 0.00 O ATOM 225 CB LEU A 17 0.317 -3.612 5.422 1.00 0.00 C ATOM 226 CG LEU A 17 0.189 -5.119 5.631 1.00 0.00 C ATOM 227 CD1 LEU A 17 -1.067 -5.642 4.963 1.00 0.00 C ATOM 228 CD2 LEU A 17 1.404 -5.854 5.094 1.00 0.00 C ATOM 0 H LEU A 17 1.354 -1.213 7.064 1.00 0.00 H new ATOM 0 HA LEU A 17 2.232 -3.845 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.541 -3.120 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.273 -3.400 4.354 1.00 0.00 H new ATOM 0 HG LEU A 17 0.125 -5.301 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.143 -6.718 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.939 -5.150 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.023 -5.435 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.283 -6.925 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.505 -5.659 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.298 -5.507 5.612 1.00 0.00 H new ATOM 240 N VAL A 18 3.542 -2.571 4.627 1.00 0.00 N ATOM 241 CA VAL A 18 4.352 -1.877 3.640 1.00 0.00 C ATOM 242 C VAL A 18 4.986 -2.892 2.727 1.00 0.00 C ATOM 243 O VAL A 18 5.662 -3.808 3.182 1.00 0.00 O ATOM 244 CB VAL A 18 5.485 -1.024 4.252 1.00 0.00 C ATOM 245 CG1 VAL A 18 6.014 -0.025 3.236 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.032 -0.311 5.513 1.00 0.00 C ATOM 0 H VAL A 18 3.993 -3.389 5.037 1.00 0.00 H new ATOM 0 HA VAL A 18 3.679 -1.201 3.112 1.00 0.00 H new ATOM 0 HB VAL A 18 6.292 -1.702 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.811 0.566 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.404 -0.559 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.206 0.636 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.857 0.279 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.196 0.347 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.718 -1.046 6.254 1.00 0.00 H new ATOM 256 N ILE A 19 4.664 -2.803 1.461 1.00 0.00 N ATOM 257 CA ILE A 19 5.078 -3.794 0.497 1.00 0.00 C ATOM 258 C ILE A 19 5.311 -3.177 -0.853 1.00 0.00 C ATOM 259 O ILE A 19 5.252 -1.959 -1.011 1.00 0.00 O ATOM 260 CB ILE A 19 4.009 -4.905 0.382 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.731 -4.384 -0.277 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.695 -5.490 1.753 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.961 -3.414 0.583 1.00 0.00 C ATOM 0 H ILE A 19 4.108 -2.043 1.069 1.00 0.00 H new ATOM 0 HA ILE A 19 6.017 -4.226 0.845 1.00 0.00 H new ATOM 0 HB ILE A 19 4.417 -5.692 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.989 -3.897 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.088 -5.229 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.941 -6.270 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.602 -5.915 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.318 -4.703 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.067 -3.087 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.671 -3.903 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.587 -2.550 0.807 1.00 0.00 H new ATOM 275 N ARG A 20 5.459 -4.026 -1.845 1.00 0.00 N ATOM 276 CA ARG A 20 5.572 -3.595 -3.214 1.00 0.00 C ATOM 277 C ARG A 20 4.631 -4.507 -4.015 1.00 0.00 C ATOM 278 O ARG A 20 4.668 -5.728 -3.875 1.00 0.00 O ATOM 279 CB ARG A 20 7.024 -3.632 -3.731 1.00 0.00 C ATOM 280 CG ARG A 20 7.504 -4.990 -4.223 1.00 0.00 C ATOM 281 CD ARG A 20 7.682 -5.010 -5.736 1.00 0.00 C ATOM 282 NE ARG A 20 8.999 -4.522 -6.146 1.00 0.00 N ATOM 283 CZ ARG A 20 10.042 -5.312 -6.404 1.00 0.00 C ATOM 284 NH1 ARG A 20 9.943 -6.631 -6.270 1.00 0.00 N ATOM 285 NH2 ARG A 20 11.193 -4.781 -6.794 1.00 0.00 N ATOM 0 H ARG A 20 5.504 -5.037 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 20 5.286 -2.549 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.121 -2.914 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.686 -3.299 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.450 -5.238 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.787 -5.757 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.543 -6.027 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.909 -4.396 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 20 9.127 -3.515 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.063 -7.048 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.747 -7.226 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.280 -3.770 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.992 -5.384 -6.992 1.00 0.00 H new ATOM 299 N ALA A 21 3.760 -3.896 -4.793 1.00 0.00 N ATOM 300 CA ALA A 21 2.772 -4.665 -5.555 1.00 0.00 C ATOM 301 C ALA A 21 2.300 -3.977 -6.817 1.00 0.00 C ATOM 302 O ALA A 21 2.465 -2.789 -7.036 1.00 0.00 O ATOM 303 CB ALA A 21 1.590 -5.019 -4.664 1.00 0.00 C ATOM 0 H ALA A 21 3.708 -2.885 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 21 3.276 -5.573 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.860 -5.590 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.936 -5.616 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.126 -4.104 -4.295 1.00 0.00 H new ATOM 309 N LYS A 22 1.613 -4.815 -7.591 1.00 0.00 N ATOM 310 CA LYS A 22 0.953 -4.461 -8.838 1.00 0.00 C ATOM 311 C LYS A 22 -0.566 -4.493 -8.663 1.00 0.00 C ATOM 312 O LYS A 22 -1.089 -5.336 -7.943 1.00 0.00 O ATOM 313 CB LYS A 22 1.356 -5.468 -9.918 1.00 0.00 C ATOM 314 CG LYS A 22 2.509 -5.047 -10.800 1.00 0.00 C ATOM 315 CD LYS A 22 3.160 -6.262 -11.437 1.00 0.00 C ATOM 316 CE LYS A 22 4.596 -6.422 -11.002 1.00 0.00 C ATOM 317 NZ LYS A 22 5.433 -7.044 -12.068 1.00 0.00 N ATOM 0 H LYS A 22 1.499 -5.800 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 22 1.254 -3.455 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.616 -6.409 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.490 -5.663 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.153 -4.369 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.245 -4.499 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.598 -7.157 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.117 -6.170 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.007 -5.447 -10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.637 -7.037 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.412 -7.137 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.056 -7.985 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.415 -6.444 -12.918 1.00 0.00 H new ATOM 331 N PHE A 23 -1.275 -3.586 -9.323 1.00 0.00 N ATOM 332 CA PHE A 23 -2.738 -3.551 -9.224 1.00 0.00 C ATOM 333 C PHE A 23 -3.353 -4.336 -10.350 1.00 0.00 C ATOM 334 O PHE A 23 -3.121 -4.074 -11.528 1.00 0.00 O ATOM 335 CB PHE A 23 -3.254 -2.121 -9.211 1.00 0.00 C ATOM 336 CG PHE A 23 -3.191 -1.515 -7.845 1.00 0.00 C ATOM 337 CD1 PHE A 23 -1.988 -1.052 -7.339 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.326 -1.425 -7.058 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.917 -0.508 -6.075 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.260 -0.882 -5.790 1.00 0.00 C ATOM 341 CZ PHE A 23 -3.054 -0.424 -5.300 1.00 0.00 C ATOM 0 H PHE A 23 -0.871 -2.870 -9.927 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.029 -4.012 -8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.667 -1.517 -9.903 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.284 -2.104 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.095 -1.118 -7.942 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.271 -1.782 -7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.973 -0.148 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.151 -0.816 -5.183 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.001 0.001 -4.308 1.00 0.00 H new ATOM 351 N VAL A 24 -4.078 -5.364 -9.957 1.00 0.00 N ATOM 352 CA VAL A 24 -4.676 -6.281 -10.888 1.00 0.00 C ATOM 353 C VAL A 24 -6.141 -6.579 -10.575 1.00 0.00 C ATOM 354 O VAL A 24 -6.596 -7.717 -10.668 1.00 0.00 O ATOM 355 CB VAL A 24 -3.876 -7.583 -10.886 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.891 -7.627 -12.045 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.163 -7.746 -9.569 1.00 0.00 C ATOM 0 H VAL A 24 -4.266 -5.582 -8.978 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.654 -5.810 -11.871 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.570 -8.414 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.337 -8.565 -12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.434 -7.555 -12.987 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.195 -6.792 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.595 -8.676 -9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.484 -6.907 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.894 -7.773 -8.761 1.00 0.00 H new ATOM 367 N GLY A 25 -6.879 -5.531 -10.256 1.00 0.00 N ATOM 368 CA GLY A 25 -8.306 -5.630 -9.986 1.00 0.00 C ATOM 369 C GLY A 25 -8.942 -4.258 -9.958 1.00 0.00 C ATOM 370 O GLY A 25 -8.228 -3.257 -9.933 1.00 0.00 O ATOM 0 H GLY A 25 -6.507 -4.585 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.784 -6.242 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.466 -6.130 -9.031 1.00 0.00 H new ATOM 374 N THR A 26 -10.267 -4.187 -10.020 1.00 0.00 N ATOM 375 CA THR A 26 -10.961 -2.904 -10.063 1.00 0.00 C ATOM 376 C THR A 26 -11.581 -2.511 -8.723 1.00 0.00 C ATOM 377 O THR A 26 -11.680 -3.322 -7.803 1.00 0.00 O ATOM 378 CB THR A 26 -12.034 -2.945 -11.157 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.168 -4.256 -11.682 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.740 -2.014 -12.315 1.00 0.00 C ATOM 0 H THR A 26 -10.882 -5.001 -10.042 1.00 0.00 H new ATOM 0 HA THR A 26 -10.218 -2.139 -10.290 1.00 0.00 H new ATOM 0 HB THR A 26 -12.954 -2.619 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.859 -4.261 -12.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.537 -2.090 -13.055 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.680 -0.988 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.791 -2.292 -12.774 1.00 0.00 H new ATOM 388 N PRO A 27 -11.993 -1.228 -8.608 1.00 0.00 N ATOM 389 CA PRO A 27 -12.599 -0.674 -7.388 1.00 0.00 C ATOM 390 C PRO A 27 -14.067 -1.069 -7.193 1.00 0.00 C ATOM 391 O PRO A 27 -14.960 -0.562 -7.876 1.00 0.00 O ATOM 392 CB PRO A 27 -12.493 0.832 -7.596 1.00 0.00 C ATOM 393 CG PRO A 27 -12.496 1.022 -9.075 1.00 0.00 C ATOM 394 CD PRO A 27 -11.876 -0.213 -9.675 1.00 0.00 C ATOM 0 HA PRO A 27 -12.094 -1.049 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.329 1.354 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.581 1.228 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.512 1.163 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.930 1.912 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.399 -0.523 -10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.835 -0.043 -9.951 1.00 0.00 H new ATOM 402 N GLU A 28 -14.296 -1.941 -6.219 1.00 0.00 N ATOM 403 CA GLU A 28 -15.677 -2.341 -5.919 1.00 0.00 C ATOM 404 C GLU A 28 -16.376 -1.203 -5.173 1.00 0.00 C ATOM 405 O GLU A 28 -15.701 -0.341 -4.610 1.00 0.00 O ATOM 406 CB GLU A 28 -15.739 -3.646 -5.126 1.00 0.00 C ATOM 407 CG GLU A 28 -14.856 -3.671 -3.900 1.00 0.00 C ATOM 408 CD GLU A 28 -14.761 -5.054 -3.291 1.00 0.00 C ATOM 409 OE1 GLU A 28 -13.944 -5.860 -3.780 1.00 0.00 O ATOM 410 OE2 GLU A 28 -15.508 -5.334 -2.329 1.00 0.00 O ATOM 0 H GLU A 28 -13.578 -2.375 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.196 -2.531 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.770 -3.823 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.455 -4.469 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.858 -3.324 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.248 -2.975 -3.158 1.00 0.00 H new ATOM 417 N VAL A 29 -17.715 -1.227 -5.105 1.00 0.00 N ATOM 418 CA VAL A 29 -18.390 -0.175 -4.327 1.00 0.00 C ATOM 419 C VAL A 29 -19.696 -0.552 -3.626 1.00 0.00 C ATOM 420 O VAL A 29 -20.758 -0.420 -4.232 1.00 0.00 O ATOM 421 CB VAL A 29 -18.671 1.083 -5.164 1.00 0.00 C ATOM 422 CG1 VAL A 29 -18.742 2.306 -4.262 1.00 0.00 C ATOM 423 CG2 VAL A 29 -17.625 1.285 -6.248 1.00 0.00 C ATOM 0 H VAL A 29 -18.322 -1.916 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.654 0.006 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 29 -19.632 0.945 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.941 3.192 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -19.542 2.175 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.793 2.429 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.860 2.185 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.642 1.392 -5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.622 0.424 -6.916 1.00 0.00 H new ATOM 433 N ASN A 30 -19.662 -0.961 -2.360 1.00 0.00 N ATOM 434 CA ASN A 30 -20.916 -1.264 -1.682 1.00 0.00 C ATOM 435 C ASN A 30 -21.541 0.086 -1.350 1.00 0.00 C ATOM 436 O ASN A 30 -20.860 1.081 -1.100 1.00 0.00 O ATOM 437 CB ASN A 30 -20.736 -2.108 -0.427 1.00 0.00 C ATOM 438 CG ASN A 30 -21.928 -3.017 -0.185 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.741 -2.694 0.812 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -22.112 -4.008 -0.891 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.817 -1.086 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.553 -1.868 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.832 -2.710 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.596 -1.454 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.463 -4.222 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.913 -4.615 -0.719 1.00 0.00 H new ATOM 447 N GLN A 31 -22.861 0.059 -1.298 1.00 0.00 N ATOM 448 CA GLN A 31 -23.632 1.240 -0.927 1.00 0.00 C ATOM 449 C GLN A 31 -23.658 1.357 0.581 1.00 0.00 C ATOM 450 O GLN A 31 -24.250 2.295 1.112 1.00 0.00 O ATOM 451 CB GLN A 31 -25.035 1.154 -1.491 1.00 0.00 C ATOM 452 CG GLN A 31 -25.065 0.908 -2.990 1.00 0.00 C ATOM 453 CD GLN A 31 -24.731 2.153 -3.791 1.00 0.00 C ATOM 454 OE1 GLN A 31 -25.612 2.949 -4.121 1.00 0.00 O ATOM 455 NE2 GLN A 31 -23.452 2.333 -4.104 1.00 0.00 N ATOM 0 H GLN A 31 -23.424 -0.765 -1.507 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.164 2.131 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.573 0.351 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.565 2.081 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.356 0.119 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -26.054 0.550 -3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.754 1.649 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.168 3.155 -4.637 1.00 0.00 H new ATOM 464 N THR A 32 -23.161 0.357 1.274 1.00 0.00 N ATOM 465 CA THR A 32 -23.294 0.310 2.708 1.00 0.00 C ATOM 466 C THR A 32 -22.069 -0.308 3.312 1.00 0.00 C ATOM 467 O THR A 32 -22.131 -1.038 4.299 1.00 0.00 O ATOM 468 CB THR A 32 -24.587 -0.484 3.011 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.690 0.398 3.121 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.583 -1.344 4.266 1.00 0.00 C ATOM 0 H THR A 32 -22.662 -0.433 0.866 1.00 0.00 H new ATOM 0 HA THR A 32 -23.376 1.303 3.149 1.00 0.00 H new ATOM 0 HB THR A 32 -24.658 -1.167 2.165 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.532 1.190 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.545 -1.848 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.789 -2.088 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.412 -0.714 5.139 1.00 0.00 H new ATOM 478 N THR A 33 -20.932 0.025 2.739 1.00 0.00 N ATOM 479 CA THR A 33 -19.679 -0.455 3.246 1.00 0.00 C ATOM 480 C THR A 33 -19.015 0.661 3.955 1.00 0.00 C ATOM 481 O THR A 33 -18.407 0.467 5.008 1.00 0.00 O ATOM 482 CB THR A 33 -18.726 -0.879 2.134 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.391 -0.754 2.565 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.888 -0.092 0.823 1.00 0.00 C ATOM 0 H THR A 33 -20.857 0.628 1.920 1.00 0.00 H new ATOM 0 HA THR A 33 -19.891 -1.313 3.884 1.00 0.00 H new ATOM 0 HB THR A 33 -18.983 -1.916 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.787 -0.912 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.172 -0.459 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.900 -0.225 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.707 0.967 1.009 1.00 0.00 H new ATOM 492 N LEU A 34 -18.951 1.790 3.269 1.00 0.00 N ATOM 493 CA LEU A 34 -18.127 2.881 3.758 1.00 0.00 C ATOM 494 C LEU A 34 -16.735 2.735 3.198 1.00 0.00 C ATOM 495 O LEU A 34 -15.945 3.655 3.307 1.00 0.00 O ATOM 496 CB LEU A 34 -18.058 2.942 5.285 1.00 0.00 C ATOM 497 CG LEU A 34 -19.005 3.936 5.921 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.908 3.852 7.432 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.658 5.338 5.426 1.00 0.00 C ATOM 0 H LEU A 34 -19.445 1.973 2.396 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.588 3.811 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.271 1.951 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -17.039 3.192 5.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.032 3.705 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.593 4.571 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.172 2.846 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.889 4.078 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.335 6.062 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.632 5.578 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.759 5.376 4.341 1.00 0.00 H new ATOM 511 N TYR A 35 -16.438 1.562 2.645 1.00 0.00 N ATOM 512 CA TYR A 35 -15.120 1.243 2.082 1.00 0.00 C ATOM 513 C TYR A 35 -15.222 0.381 0.850 1.00 0.00 C ATOM 514 O TYR A 35 -16.252 -0.219 0.567 1.00 0.00 O ATOM 515 CB TYR A 35 -14.212 0.547 3.091 1.00 0.00 C ATOM 516 CG TYR A 35 -14.905 -0.353 4.057 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.518 0.180 5.168 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.922 -1.725 3.877 1.00 0.00 C ATOM 519 CE1 TYR A 35 -16.141 -0.619 6.084 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.546 -2.546 4.793 1.00 0.00 C ATOM 521 CZ TYR A 35 -16.157 -1.987 5.900 1.00 0.00 C ATOM 522 OH TYR A 35 -16.779 -2.796 6.820 1.00 0.00 O ATOM 0 H TYR A 35 -17.108 0.796 2.572 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.682 2.204 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.469 -0.035 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.670 1.308 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.506 1.249 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -14.442 -2.157 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.619 -0.182 6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.557 -3.616 4.647 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.699 -3.732 6.540 1.00 0.00 H new ATOM 532 N GLN A 36 -14.134 0.353 0.112 1.00 0.00 N ATOM 533 CA GLN A 36 -14.058 -0.396 -1.111 1.00 0.00 C ATOM 534 C GLN A 36 -12.820 -1.285 -1.121 1.00 0.00 C ATOM 535 O GLN A 36 -11.932 -1.130 -0.282 1.00 0.00 O ATOM 536 CB GLN A 36 -14.060 0.603 -2.267 1.00 0.00 C ATOM 537 CG GLN A 36 -15.314 1.467 -2.322 1.00 0.00 C ATOM 538 CD GLN A 36 -16.571 0.714 -1.914 1.00 0.00 C ATOM 539 OE1 GLN A 36 -17.511 1.295 -1.372 1.00 0.00 O ATOM 540 NE2 GLN A 36 -16.603 -0.588 -2.191 1.00 0.00 N ATOM 0 H GLN A 36 -13.277 0.853 0.349 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.913 -1.064 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.187 1.249 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.961 0.059 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.184 2.329 -1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.440 1.852 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.803 -1.033 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.427 -1.140 -1.953 1.00 0.00 H new ATOM 549 N ARG A 37 -12.778 -2.238 -2.047 1.00 0.00 N ATOM 550 CA ARG A 37 -11.652 -3.166 -2.120 1.00 0.00 C ATOM 551 C ARG A 37 -11.067 -3.313 -3.522 1.00 0.00 C ATOM 552 O ARG A 37 -11.701 -3.832 -4.441 1.00 0.00 O ATOM 553 CB ARG A 37 -12.047 -4.547 -1.617 1.00 0.00 C ATOM 554 CG ARG A 37 -13.072 -4.541 -0.497 1.00 0.00 C ATOM 555 CD ARG A 37 -12.797 -5.661 0.486 1.00 0.00 C ATOM 556 NE ARG A 37 -13.304 -6.950 0.017 1.00 0.00 N ATOM 557 CZ ARG A 37 -12.548 -7.886 -0.561 1.00 0.00 C ATOM 558 NH1 ARG A 37 -11.250 -7.682 -0.762 1.00 0.00 N ATOM 559 NH2 ARG A 37 -13.093 -9.034 -0.943 1.00 0.00 N ATOM 0 H ARG A 37 -13.501 -2.388 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.884 -2.729 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.444 -5.124 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.152 -5.063 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.047 -3.582 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.073 -4.653 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.723 -5.736 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.256 -5.420 1.445 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.297 -7.146 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.821 -6.803 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.683 -8.405 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.088 -9.200 -0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.517 -9.750 -1.385 1.00 0.00 H new ATOM 573 N TYR A 38 -9.824 -2.886 -3.636 1.00 0.00 N ATOM 574 CA TYR A 38 -9.077 -2.999 -4.887 1.00 0.00 C ATOM 575 C TYR A 38 -8.307 -4.309 -4.884 1.00 0.00 C ATOM 576 O TYR A 38 -7.883 -4.762 -3.823 1.00 0.00 O ATOM 577 CB TYR A 38 -8.038 -1.872 -5.035 1.00 0.00 C ATOM 578 CG TYR A 38 -8.502 -0.615 -5.737 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.925 -0.641 -7.057 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.478 0.612 -5.083 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.316 0.517 -7.703 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.864 1.772 -5.721 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.282 1.720 -7.032 1.00 0.00 C ATOM 584 OH TYR A 38 -9.672 2.874 -7.676 1.00 0.00 O ATOM 0 H TYR A 38 -9.301 -2.453 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.796 -2.942 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.688 -1.598 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.179 -2.268 -5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.949 -1.581 -7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.151 0.657 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.647 0.479 -8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.839 2.715 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.590 3.634 -7.063 1.00 0.00 H new ATOM 594 N GLU A 39 -8.117 -4.932 -6.043 1.00 0.00 N ATOM 595 CA GLU A 39 -7.398 -6.191 -6.121 1.00 0.00 C ATOM 596 C GLU A 39 -5.994 -5.927 -6.591 1.00 0.00 C ATOM 597 O GLU A 39 -5.768 -5.027 -7.400 1.00 0.00 O ATOM 598 CB GLU A 39 -8.090 -7.164 -7.075 1.00 0.00 C ATOM 599 CG GLU A 39 -9.613 -7.052 -7.078 1.00 0.00 C ATOM 600 CD GLU A 39 -10.271 -8.099 -7.959 1.00 0.00 C ATOM 601 OE1 GLU A 39 -9.926 -8.169 -9.158 1.00 0.00 O ATOM 602 OE2 GLU A 39 -11.126 -8.850 -7.447 1.00 0.00 O ATOM 0 H GLU A 39 -8.453 -4.582 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.382 -6.646 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.721 -6.990 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.811 -8.182 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.984 -7.155 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.900 -6.059 -7.423 1.00 0.00 H new ATOM 609 N ILE A 40 -5.044 -6.676 -6.075 1.00 0.00 N ATOM 610 CA ILE A 40 -3.667 -6.455 -6.455 1.00 0.00 C ATOM 611 C ILE A 40 -2.897 -7.723 -6.785 1.00 0.00 C ATOM 612 O ILE A 40 -3.345 -8.841 -6.535 1.00 0.00 O ATOM 613 CB ILE A 40 -2.916 -5.704 -5.341 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.377 -6.178 -3.961 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.101 -4.202 -5.492 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.463 -5.737 -2.838 1.00 0.00 C ATOM 0 H ILE A 40 -5.195 -7.429 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.717 -5.862 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.853 -5.926 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.382 -5.800 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.441 -7.266 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.563 -3.687 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.711 -3.883 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.162 -3.958 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.849 -6.107 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.463 -6.137 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.418 -4.648 -2.812 1.00 0.00 H new ATOM 628 N LYS A 41 -1.672 -7.496 -7.250 1.00 0.00 N ATOM 629 CA LYS A 41 -0.733 -8.557 -7.513 1.00 0.00 C ATOM 630 C LYS A 41 0.406 -8.336 -6.541 1.00 0.00 C ATOM 631 O LYS A 41 1.422 -7.731 -6.893 1.00 0.00 O ATOM 632 CB LYS A 41 -0.181 -8.508 -8.945 1.00 0.00 C ATOM 633 CG LYS A 41 0.728 -9.676 -9.285 1.00 0.00 C ATOM 634 CD LYS A 41 -0.076 -10.919 -9.633 1.00 0.00 C ATOM 635 CE LYS A 41 0.815 -12.139 -9.784 1.00 0.00 C ATOM 636 NZ LYS A 41 1.552 -12.134 -11.077 1.00 0.00 N ATOM 0 H LYS A 41 -1.311 -6.564 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.221 -9.525 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.015 -8.491 -9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.370 -7.577 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.369 -9.408 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.382 -9.888 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.817 -11.103 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.623 -10.751 -10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.528 -12.171 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.208 -13.042 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.148 -12.984 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.872 -12.129 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.151 -11.286 -11.132 1.00 0.00 H new ATOM 650 N MET A 42 0.225 -8.783 -5.305 1.00 0.00 N ATOM 651 CA MET A 42 1.238 -8.579 -4.283 1.00 0.00 C ATOM 652 C MET A 42 2.552 -9.208 -4.695 1.00 0.00 C ATOM 653 O MET A 42 2.702 -10.430 -4.685 1.00 0.00 O ATOM 654 CB MET A 42 0.776 -9.128 -2.934 1.00 0.00 C ATOM 655 CG MET A 42 1.695 -8.748 -1.783 1.00 0.00 C ATOM 656 SD MET A 42 2.172 -10.166 -0.779 1.00 0.00 S ATOM 657 CE MET A 42 3.473 -10.866 -1.789 1.00 0.00 C ATOM 0 H MET A 42 -0.606 -9.284 -4.990 1.00 0.00 H new ATOM 0 HA MET A 42 1.392 -7.505 -4.175 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.228 -8.760 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.711 -10.214 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.591 -8.271 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.196 -8.012 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.210 -11.350 -1.149 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.048 -11.601 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.955 -10.074 -2.362 1.00 0.00 H new ATOM 667 N THR A 43 3.503 -8.363 -5.072 1.00 0.00 N ATOM 668 CA THR A 43 4.793 -8.852 -5.504 1.00 0.00 C ATOM 669 C THR A 43 5.614 -9.378 -4.331 1.00 0.00 C ATOM 670 O THR A 43 5.948 -10.561 -4.292 1.00 0.00 O ATOM 671 CB THR A 43 5.568 -7.788 -6.284 1.00 0.00 C ATOM 672 OG1 THR A 43 5.036 -6.508 -6.046 1.00 0.00 O ATOM 673 CG2 THR A 43 5.535 -8.016 -7.782 1.00 0.00 C ATOM 0 H THR A 43 3.402 -7.348 -5.085 1.00 0.00 H new ATOM 0 HA THR A 43 4.608 -9.687 -6.180 1.00 0.00 H new ATOM 0 HB THR A 43 6.597 -7.861 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.731 -6.448 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.101 -7.230 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.978 -8.985 -8.012 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.502 -7.997 -8.130 1.00 0.00 H new ATOM 681 N LYS A 44 5.912 -8.504 -3.358 1.00 0.00 N ATOM 682 CA LYS A 44 6.666 -8.866 -2.156 1.00 0.00 C ATOM 683 C LYS A 44 6.298 -7.900 -1.025 1.00 0.00 C ATOM 684 O LYS A 44 5.973 -6.742 -1.281 1.00 0.00 O ATOM 685 CB LYS A 44 8.176 -8.793 -2.411 1.00 0.00 C ATOM 686 CG LYS A 44 8.723 -9.947 -3.234 1.00 0.00 C ATOM 687 CD LYS A 44 9.588 -10.872 -2.397 1.00 0.00 C ATOM 688 CE LYS A 44 11.044 -10.439 -2.415 1.00 0.00 C ATOM 689 NZ LYS A 44 11.953 -11.527 -1.960 1.00 0.00 N ATOM 0 H LYS A 44 5.634 -7.523 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 44 6.412 -9.890 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.402 -7.857 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.695 -8.767 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.896 -10.512 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.308 -9.556 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.223 -10.883 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.505 -11.891 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.320 -10.134 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.171 -9.567 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.937 -11.191 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.707 -11.801 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.851 -12.350 -2.588 1.00 0.00 H new ATOM 703 N MET A 45 6.351 -8.368 0.222 1.00 0.00 N ATOM 704 CA MET A 45 6.019 -7.513 1.368 1.00 0.00 C ATOM 705 C MET A 45 7.279 -6.903 1.975 1.00 0.00 C ATOM 706 O MET A 45 8.324 -7.554 2.017 1.00 0.00 O ATOM 707 CB MET A 45 5.252 -8.304 2.416 1.00 0.00 C ATOM 708 CG MET A 45 5.970 -9.555 2.857 1.00 0.00 C ATOM 709 SD MET A 45 5.194 -11.067 2.259 1.00 0.00 S ATOM 710 CE MET A 45 6.612 -11.921 1.576 1.00 0.00 C ATOM 0 H MET A 45 6.617 -9.322 0.466 1.00 0.00 H new ATOM 0 HA MET A 45 5.386 -6.700 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.075 -7.669 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.275 -8.575 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.000 -9.519 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.008 -9.580 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.355 -12.964 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.904 -11.449 0.638 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.442 -11.871 2.281 1.00 0.00 H new ATOM 720 N TYR A 46 7.203 -5.639 2.408 1.00 0.00 N ATOM 721 CA TYR A 46 8.333 -4.913 2.966 1.00 0.00 C ATOM 722 C TYR A 46 8.034 -4.383 4.374 1.00 0.00 C ATOM 723 O TYR A 46 8.758 -3.538 4.881 1.00 0.00 O ATOM 724 CB TYR A 46 8.666 -3.731 2.048 1.00 0.00 C ATOM 725 CG TYR A 46 9.155 -4.112 0.667 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.410 -4.945 -0.155 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.363 -3.625 0.183 1.00 0.00 C ATOM 728 CE1 TYR A 46 8.855 -5.281 -1.419 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.813 -3.957 -1.079 1.00 0.00 C ATOM 730 CZ TYR A 46 10.057 -4.783 -1.875 1.00 0.00 C ATOM 731 OH TYR A 46 10.503 -5.112 -3.134 1.00 0.00 O ATOM 0 H TYR A 46 6.343 -5.092 2.377 1.00 0.00 H new ATOM 0 HA TYR A 46 9.175 -5.602 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.777 -3.110 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.428 -3.119 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.468 -5.337 0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 46 10.960 -2.975 0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.264 -5.931 -2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.755 -3.569 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 46 11.365 -4.677 -3.300 1.00 0.00 H new ATOM 741 N LYS A 47 6.988 -4.895 5.013 1.00 0.00 N ATOM 742 CA LYS A 47 6.603 -4.497 6.369 1.00 0.00 C ATOM 743 C LYS A 47 5.299 -5.166 6.731 1.00 0.00 C ATOM 744 O LYS A 47 4.264 -4.897 6.120 1.00 0.00 O ATOM 745 CB LYS A 47 6.451 -2.979 6.517 1.00 0.00 C ATOM 746 CG LYS A 47 6.720 -2.484 7.934 1.00 0.00 C ATOM 747 CD LYS A 47 5.535 -1.721 8.518 1.00 0.00 C ATOM 748 CE LYS A 47 4.543 -2.647 9.191 1.00 0.00 C ATOM 749 NZ LYS A 47 4.555 -2.496 10.670 1.00 0.00 N ATOM 0 H LYS A 47 6.377 -5.603 4.605 1.00 0.00 H new ATOM 0 HA LYS A 47 7.401 -4.811 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.136 -2.483 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.441 -2.691 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.953 -3.334 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.598 -1.838 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.895 -0.988 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.034 -1.167 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.541 -2.441 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.776 -3.679 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.979 -3.247 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.532 -2.567 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.162 -1.568 10.927 1.00 0.00 H new ATOM 763 N GLY A 48 5.351 -6.056 7.699 1.00 0.00 N ATOM 764 CA GLY A 48 4.190 -6.802 8.130 1.00 0.00 C ATOM 765 C GLY A 48 4.565 -8.195 8.619 1.00 0.00 C ATOM 766 O GLY A 48 3.690 -9.020 8.844 1.00 0.00 O ATOM 0 H GLY A 48 6.204 -6.283 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.685 -6.259 8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.483 -6.884 7.304 1.00 0.00 H new ATOM 770 N PHE A 49 5.873 -8.477 8.732 1.00 0.00 N ATOM 771 CA PHE A 49 6.354 -9.789 9.143 1.00 0.00 C ATOM 772 C PHE A 49 5.523 -10.329 10.295 1.00 0.00 C ATOM 773 O PHE A 49 4.944 -11.414 10.213 1.00 0.00 O ATOM 774 CB PHE A 49 7.811 -9.702 9.596 1.00 0.00 C ATOM 775 CG PHE A 49 8.688 -8.815 8.752 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.827 -9.029 7.390 1.00 0.00 C ATOM 777 CD2 PHE A 49 9.382 -7.765 9.335 1.00 0.00 C ATOM 778 CE1 PHE A 49 9.641 -8.210 6.627 1.00 0.00 C ATOM 779 CE2 PHE A 49 10.194 -6.944 8.577 1.00 0.00 C ATOM 780 CZ PHE A 49 10.325 -7.167 7.222 1.00 0.00 C ATOM 0 H PHE A 49 6.614 -7.803 8.541 1.00 0.00 H new ATOM 0 HA PHE A 49 6.269 -10.457 8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.835 -9.340 10.624 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.234 -10.706 9.602 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.295 -9.843 6.919 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.286 -7.587 10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.742 -8.386 5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.726 -6.128 9.045 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.961 -6.528 6.627 1.00 0.00 H new ATOM 790 N GLN A 50 5.446 -9.551 11.360 1.00 0.00 N ATOM 791 CA GLN A 50 4.651 -9.959 12.511 1.00 0.00 C ATOM 792 C GLN A 50 3.234 -10.351 12.064 1.00 0.00 C ATOM 793 O GLN A 50 2.587 -11.198 12.677 1.00 0.00 O ATOM 794 CB GLN A 50 4.597 -8.840 13.552 1.00 0.00 C ATOM 795 CG GLN A 50 4.060 -7.527 13.012 1.00 0.00 C ATOM 796 CD GLN A 50 3.369 -6.703 14.079 1.00 0.00 C ATOM 797 OE1 GLN A 50 2.176 -6.416 13.982 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.118 -6.321 15.105 1.00 0.00 N ATOM 0 H GLN A 50 5.913 -8.649 11.455 1.00 0.00 H new ATOM 0 HA GLN A 50 5.124 -10.827 12.970 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.973 -9.162 14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.599 -8.677 13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.881 -6.950 12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.359 -7.730 12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.103 -6.583 15.143 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.709 -5.766 15.856 1.00 0.00 H new ATOM 807 N ALA A 51 2.780 -9.743 10.967 1.00 0.00 N ATOM 808 CA ALA A 51 1.465 -10.024 10.393 1.00 0.00 C ATOM 809 C ALA A 51 1.550 -11.041 9.242 1.00 0.00 C ATOM 810 O ALA A 51 0.540 -11.599 8.810 1.00 0.00 O ATOM 811 CB ALA A 51 0.810 -8.738 9.913 1.00 0.00 C ATOM 0 H ALA A 51 3.314 -9.043 10.452 1.00 0.00 H new ATOM 0 HA ALA A 51 0.852 -10.465 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.168 -8.964 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.691 -8.054 10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.437 -8.272 9.152 1.00 0.00 H new ATOM 875 N ASP A 57 -0.628 -12.255 3.292 1.00 0.00 N ATOM 876 CA ASP A 57 -1.478 -11.494 4.190 1.00 0.00 C ATOM 877 C ASP A 57 -2.002 -10.255 3.455 1.00 0.00 C ATOM 878 O ASP A 57 -2.879 -9.548 3.947 1.00 0.00 O ATOM 879 CB ASP A 57 -0.710 -11.090 5.446 1.00 0.00 C ATOM 880 CG ASP A 57 0.608 -10.427 5.118 1.00 0.00 C ATOM 881 OD1 ASP A 57 1.494 -11.113 4.567 1.00 0.00 O ATOM 882 OD2 ASP A 57 0.755 -9.222 5.411 1.00 0.00 O ATOM 0 HA ASP A 57 -2.320 -12.113 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.320 -10.409 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.529 -11.973 6.059 1.00 0.00 H new ATOM 887 N ILE A 58 -1.459 -10.024 2.252 1.00 0.00 N ATOM 888 CA ILE A 58 -1.859 -8.900 1.405 1.00 0.00 C ATOM 889 C ILE A 58 -2.449 -9.437 0.106 1.00 0.00 C ATOM 890 O ILE A 58 -1.804 -10.221 -0.592 1.00 0.00 O ATOM 891 CB ILE A 58 -0.669 -7.977 1.090 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.259 -7.864 2.304 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.173 -6.604 0.671 1.00 0.00 C ATOM 894 CD1 ILE A 58 1.650 -8.403 2.051 1.00 0.00 C ATOM 0 H ILE A 58 -0.732 -10.611 1.843 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.603 -8.313 1.944 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.099 -8.407 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.331 -6.817 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.184 -8.402 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.324 -5.957 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.797 -6.701 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.760 -6.169 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.253 -8.291 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.588 -9.458 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.112 -7.849 1.234 1.00 0.00 H new ATOM 906 N ARG A 59 -3.658 -9.001 -0.229 1.00 0.00 N ATOM 907 CA ARG A 59 -4.289 -9.449 -1.468 1.00 0.00 C ATOM 908 C ARG A 59 -5.241 -8.445 -2.117 1.00 0.00 C ATOM 909 O ARG A 59 -5.474 -8.455 -3.324 1.00 0.00 O ATOM 910 CB ARG A 59 -5.006 -10.774 -1.252 1.00 0.00 C ATOM 911 CG ARG A 59 -4.152 -11.845 -0.592 1.00 0.00 C ATOM 912 CD ARG A 59 -4.973 -13.088 -0.275 1.00 0.00 C ATOM 913 NE ARG A 59 -4.514 -14.264 -1.013 1.00 0.00 N ATOM 914 CZ ARG A 59 -4.835 -14.523 -2.279 1.00 0.00 C ATOM 915 NH1 ARG A 59 -5.602 -13.683 -2.962 1.00 0.00 N ATOM 916 NH2 ARG A 59 -4.392 -15.628 -2.861 1.00 0.00 N ATOM 0 H ARG A 59 -4.213 -8.350 0.327 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.465 -9.565 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.890 -10.600 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.355 -11.146 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.325 -12.111 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.715 -11.451 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.921 -13.291 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.020 -12.899 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.910 -14.927 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.949 -12.833 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.844 -13.887 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.806 -16.279 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.637 -15.827 -3.831 1.00 0.00 H new ATOM 930 N PHE A 60 -5.779 -7.581 -1.254 1.00 0.00 N ATOM 931 CA PHE A 60 -6.706 -6.531 -1.601 1.00 0.00 C ATOM 932 C PHE A 60 -6.526 -5.401 -0.625 1.00 0.00 C ATOM 933 O PHE A 60 -6.032 -5.585 0.490 1.00 0.00 O ATOM 934 CB PHE A 60 -8.158 -7.023 -1.536 1.00 0.00 C ATOM 935 CG PHE A 60 -8.503 -8.137 -2.487 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.985 -9.411 -2.312 1.00 0.00 C ATOM 937 CD2 PHE A 60 -9.368 -7.912 -3.546 1.00 0.00 C ATOM 938 CE1 PHE A 60 -8.317 -10.434 -3.180 1.00 0.00 C ATOM 939 CE2 PHE A 60 -9.705 -8.935 -4.413 1.00 0.00 C ATOM 940 CZ PHE A 60 -9.177 -10.195 -4.228 1.00 0.00 C ATOM 0 H PHE A 60 -5.565 -7.605 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.504 -6.206 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.366 -7.358 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.819 -6.180 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.315 -9.606 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.784 -6.926 -3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.902 -11.421 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.381 -8.747 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.438 -10.995 -4.905 1.00 0.00 H new ATOM 950 N VAL A 61 -6.875 -4.232 -1.072 1.00 0.00 N ATOM 951 CA VAL A 61 -6.708 -3.038 -0.284 1.00 0.00 C ATOM 952 C VAL A 61 -8.058 -2.416 0.088 1.00 0.00 C ATOM 953 O VAL A 61 -8.903 -2.177 -0.772 1.00 0.00 O ATOM 954 CB VAL A 61 -5.850 -2.048 -1.069 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.773 -2.757 -1.876 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.679 -1.137 -1.957 1.00 0.00 C ATOM 0 H VAL A 61 -7.284 -4.074 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.211 -3.295 0.651 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.359 -1.416 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.183 -2.020 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.123 -3.317 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.240 -3.443 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.020 -0.453 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.238 -1.738 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.374 -0.565 -1.343 1.00 0.00 H new ATOM 966 N TYR A 62 -8.289 -2.233 1.384 1.00 0.00 N ATOM 967 CA TYR A 62 -9.570 -1.726 1.854 1.00 0.00 C ATOM 968 C TYR A 62 -9.526 -0.254 2.240 1.00 0.00 C ATOM 969 O TYR A 62 -9.005 0.118 3.285 1.00 0.00 O ATOM 970 CB TYR A 62 -10.068 -2.550 3.049 1.00 0.00 C ATOM 971 CG TYR A 62 -10.183 -4.040 2.781 1.00 0.00 C ATOM 972 CD1 TYR A 62 -9.192 -4.743 2.097 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.296 -4.745 3.217 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.310 -6.096 1.859 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.419 -6.102 2.982 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.426 -6.773 2.303 1.00 0.00 C ATOM 977 OH TYR A 62 -10.550 -8.123 2.060 1.00 0.00 O ATOM 0 H TYR A 62 -7.611 -2.427 2.121 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.260 -1.822 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.390 -2.396 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.044 -2.172 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.316 -4.218 1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.079 -4.225 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.532 -6.623 1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.292 -6.635 3.330 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.667 -8.545 2.101 1.00 0.00 H new ATOM 987 N THR A 63 -10.108 0.568 1.383 1.00 0.00 N ATOM 988 CA THR A 63 -10.208 2.017 1.582 1.00 0.00 C ATOM 989 C THR A 63 -11.659 2.372 1.864 1.00 0.00 C ATOM 990 O THR A 63 -12.551 1.818 1.242 1.00 0.00 O ATOM 991 CB THR A 63 -9.769 2.792 0.319 1.00 0.00 C ATOM 992 OG1 THR A 63 -10.681 3.841 0.021 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.693 1.951 -0.942 1.00 0.00 C ATOM 0 H THR A 63 -10.534 0.249 0.513 1.00 0.00 H new ATOM 0 HA THR A 63 -9.557 2.291 2.412 1.00 0.00 H new ATOM 0 HB THR A 63 -8.773 3.154 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.580 4.106 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.377 2.576 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.973 1.145 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.674 1.527 -1.156 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.929 3.325 2.765 1.00 0.00 N ATOM 1002 CA PRO A 64 -13.300 3.742 3.049 1.00 0.00 C ATOM 1003 C PRO A 64 -13.930 4.405 1.819 1.00 0.00 C ATOM 1004 O PRO A 64 -13.262 5.108 1.062 1.00 0.00 O ATOM 1005 CB PRO A 64 -13.163 4.748 4.186 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.766 4.595 4.694 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.950 4.092 3.539 1.00 0.00 C ATOM 0 HA PRO A 64 -13.943 2.901 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.343 5.764 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.890 4.550 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.379 5.546 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.730 3.895 5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.524 4.910 2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.119 3.470 3.871 1.00 0.00 H new ATOM 1015 N ALA A 65 -15.204 4.126 1.615 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.947 4.613 0.490 1.00 0.00 C ATOM 1017 C ALA A 65 -16.761 5.873 0.790 1.00 0.00 C ATOM 1018 O ALA A 65 -17.891 6.011 0.314 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.868 3.517 -0.024 1.00 0.00 C ATOM 0 H ALA A 65 -15.754 3.542 2.245 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.216 4.892 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.433 3.888 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.274 2.655 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.558 3.222 0.766 1.00 0.00 H new ATOM 1025 N MET A 66 -16.198 6.791 1.564 1.00 0.00 N ATOM 1026 CA MET A 66 -16.901 8.032 1.894 1.00 0.00 C ATOM 1027 C MET A 66 -16.606 9.119 0.865 1.00 0.00 C ATOM 1028 O MET A 66 -15.742 8.955 0.005 1.00 0.00 O ATOM 1029 CB MET A 66 -16.530 8.533 3.293 1.00 0.00 C ATOM 1030 CG MET A 66 -16.425 7.429 4.332 1.00 0.00 C ATOM 1031 SD MET A 66 -15.332 7.844 5.708 1.00 0.00 S ATOM 1032 CE MET A 66 -16.507 8.450 6.914 1.00 0.00 C ATOM 0 H MET A 66 -15.267 6.706 1.973 1.00 0.00 H new ATOM 0 HA MET A 66 -17.968 7.808 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.578 9.060 3.239 1.00 0.00 H new ATOM 0 HB3 MET A 66 -17.277 9.257 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.419 7.210 4.721 1.00 0.00 H new ATOM 0 HG3 MET A 66 -16.063 6.520 3.851 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.979 8.745 7.820 1.00 0.00 H new ATOM 0 HE2 MET A 66 -17.036 9.311 6.506 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.223 7.663 7.151 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.343 10.223 0.952 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.180 11.338 0.024 1.00 0.00 C ATOM 1044 C GLU A 67 -16.001 12.239 0.403 1.00 0.00 C ATOM 1045 O GLU A 67 -15.493 12.985 -0.435 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.467 12.164 -0.019 1.00 0.00 C ATOM 1047 CG GLU A 67 -18.666 12.923 -1.320 1.00 0.00 C ATOM 1048 CD GLU A 67 -19.609 14.102 -1.167 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -19.288 15.020 -0.384 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -20.668 14.104 -1.829 1.00 0.00 O ATOM 0 H GLU A 67 -18.063 10.369 1.660 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.969 10.919 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.318 11.501 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.459 12.874 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.701 13.278 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.059 12.244 -2.077 1.00 0.00 H new ATOM 1057 N SER A 68 -15.575 12.179 1.661 1.00 0.00 N ATOM 1058 CA SER A 68 -14.461 13.007 2.127 1.00 0.00 C ATOM 1059 C SER A 68 -13.458 12.185 2.929 1.00 0.00 C ATOM 1060 O SER A 68 -12.830 12.686 3.860 1.00 0.00 O ATOM 1061 CB SER A 68 -14.984 14.160 2.983 1.00 0.00 C ATOM 1062 OG SER A 68 -13.918 14.936 3.497 1.00 0.00 O ATOM 0 H SER A 68 -15.979 11.571 2.374 1.00 0.00 H new ATOM 0 HA SER A 68 -13.952 13.407 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.643 14.791 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.580 13.765 3.806 1.00 0.00 H new ATOM 0 HG SER A 68 -13.315 14.362 4.014 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.322 10.921 2.562 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.405 10.012 3.240 1.00 0.00 C ATOM 1070 C VAL A 69 -11.090 9.873 2.482 1.00 0.00 C ATOM 1071 O VAL A 69 -10.999 10.228 1.308 1.00 0.00 O ATOM 1072 CB VAL A 69 -13.054 8.631 3.395 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.311 8.001 2.037 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.224 7.711 4.267 1.00 0.00 C ATOM 0 H VAL A 69 -13.839 10.496 1.792 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.189 10.432 4.222 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.011 8.776 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.772 7.022 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.979 8.640 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.367 7.888 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.720 6.744 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.239 7.577 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.115 8.150 5.259 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.080 9.333 3.152 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.779 9.125 2.537 1.00 0.00 C ATOM 1086 C CYS A 70 -8.690 7.725 1.997 1.00 0.00 C ATOM 1087 O CYS A 70 -7.820 6.948 2.364 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.632 9.394 3.523 1.00 0.00 C ATOM 1089 SG CYS A 70 -8.027 9.098 5.283 1.00 0.00 S ATOM 0 H CYS A 70 -10.139 9.031 4.124 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.676 9.837 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.784 8.767 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.313 10.430 3.409 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.982 9.357 6.012 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.643 7.421 1.136 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.713 6.127 0.534 1.00 0.00 C ATOM 1096 C GLY A 71 -8.410 5.737 -0.117 1.00 0.00 C ATOM 1097 O GLY A 71 -7.419 5.473 0.559 1.00 0.00 O ATOM 0 H GLY A 71 -10.378 8.065 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.976 5.388 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.508 6.116 -0.211 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.401 5.714 -1.431 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.188 5.370 -2.158 1.00 0.00 C ATOM 1103 C TYR A 72 -7.270 5.679 -3.651 1.00 0.00 C ATOM 1104 O TYR A 72 -7.587 4.802 -4.455 1.00 0.00 O ATOM 1105 CB TYR A 72 -6.907 3.888 -1.962 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.548 3.467 -2.443 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.399 3.984 -1.869 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.417 2.558 -3.477 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.151 3.601 -2.313 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.175 2.169 -3.930 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.043 2.692 -3.344 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.803 2.303 -3.791 1.00 0.00 O ATOM 0 H TYR A 72 -9.208 5.926 -2.018 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.382 5.985 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.000 3.646 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.666 3.310 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.481 4.697 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.303 2.146 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.263 4.011 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.090 1.459 -4.739 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.891 1.496 -4.340 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.015 6.922 -4.022 1.00 0.00 N ATOM 1123 CA PHE A 73 -7.105 7.309 -5.426 1.00 0.00 C ATOM 1124 C PHE A 73 -5.990 6.659 -6.250 1.00 0.00 C ATOM 1125 O PHE A 73 -4.882 7.182 -6.375 1.00 0.00 O ATOM 1126 CB PHE A 73 -7.070 8.827 -5.578 1.00 0.00 C ATOM 1127 CG PHE A 73 -8.418 9.471 -5.392 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -9.432 9.270 -6.317 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -8.672 10.272 -4.289 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -10.672 9.857 -6.146 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -9.912 10.861 -4.113 1.00 0.00 C ATOM 1132 CZ PHE A 73 -10.912 10.653 -5.042 1.00 0.00 C ATOM 0 H PHE A 73 -6.748 7.672 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.061 6.950 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.372 9.243 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.687 9.078 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.251 8.648 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.894 10.438 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.452 9.694 -6.874 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.097 11.483 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.880 11.112 -4.906 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.323 5.480 -6.766 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.371 4.697 -7.546 1.00 0.00 C ATOM 1144 C HIS A 74 -5.571 4.901 -9.042 1.00 0.00 C ATOM 1145 O HIS A 74 -6.594 4.508 -9.603 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.483 3.217 -7.156 1.00 0.00 C ATOM 1147 CG HIS A 74 -4.834 2.269 -8.117 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -5.509 1.237 -8.730 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -3.554 2.186 -8.544 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -4.670 0.556 -9.491 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -3.476 1.111 -9.393 1.00 0.00 N ATOM 0 H HIS A 74 -7.240 5.047 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.363 5.043 -7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.036 3.079 -6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.538 2.957 -7.066 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -6.501 1.030 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.743 2.844 -8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.919 -0.307 -10.091 1.00 0.00 H new ATOM 1160 N ARG A 75 -4.581 5.532 -9.677 1.00 0.00 N ATOM 1161 CA ARG A 75 -4.633 5.812 -11.111 1.00 0.00 C ATOM 1162 C ARG A 75 -3.529 5.080 -11.867 1.00 0.00 C ATOM 1163 O ARG A 75 -2.457 5.640 -12.100 1.00 0.00 O ATOM 1164 CB ARG A 75 -4.503 7.322 -11.357 1.00 0.00 C ATOM 1165 CG ARG A 75 -5.335 8.171 -10.409 1.00 0.00 C ATOM 1166 CD ARG A 75 -6.785 7.721 -10.383 1.00 0.00 C ATOM 1167 NE ARG A 75 -7.558 8.307 -11.475 1.00 0.00 N ATOM 1168 CZ ARG A 75 -8.405 7.622 -12.244 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -8.600 6.323 -12.047 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -9.063 8.241 -13.215 1.00 0.00 N ATOM 0 H ARG A 75 -3.731 5.859 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.595 5.457 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.455 7.608 -11.261 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.801 7.541 -12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.917 8.112 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.283 9.216 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.829 6.634 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.234 8.000 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.443 9.303 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.099 5.839 -11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.250 5.809 -12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.921 9.239 -13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.711 7.719 -13.805 1.00 0.00 H new ATOM 1184 N SER A 76 -3.790 3.834 -12.257 1.00 0.00 N ATOM 1185 CA SER A 76 -2.800 3.054 -12.996 1.00 0.00 C ATOM 1186 C SER A 76 -3.404 2.360 -14.221 1.00 0.00 C ATOM 1187 O SER A 76 -4.554 1.916 -14.203 1.00 0.00 O ATOM 1188 CB SER A 76 -2.134 2.022 -12.088 1.00 0.00 C ATOM 1189 OG SER A 76 -0.929 2.523 -11.551 1.00 0.00 O ATOM 0 H SER A 76 -4.668 3.347 -12.076 1.00 0.00 H new ATOM 0 HA SER A 76 -2.048 3.758 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.813 1.753 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.934 1.111 -12.652 1.00 0.00 H new ATOM 0 HG SER A 76 -0.690 2.011 -10.751 1.00 0.00 H new ATOM 1195 N HIS A 77 -2.591 2.263 -15.272 1.00 0.00 N ATOM 1196 CA HIS A 77 -2.967 1.613 -16.530 1.00 0.00 C ATOM 1197 C HIS A 77 -2.354 0.216 -16.541 1.00 0.00 C ATOM 1198 O HIS A 77 -3.043 -0.791 -16.690 1.00 0.00 O ATOM 1199 CB HIS A 77 -2.439 2.465 -17.687 1.00 0.00 C ATOM 1200 CG HIS A 77 -2.521 1.831 -19.037 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -3.697 1.383 -19.592 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -1.561 1.613 -19.966 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -3.460 0.916 -20.804 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -2.169 1.044 -21.057 1.00 0.00 N ATOM 0 H HIS A 77 -1.642 2.637 -15.276 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.048 1.522 -16.633 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.995 3.402 -17.710 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.398 2.717 -17.485 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.511 1.844 -19.867 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.197 0.500 -21.475 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.702 0.766 -21.920 1.00 0.00 H new ATOM 1213 N ASN A 78 -1.033 0.213 -16.433 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.275 -1.027 -16.481 1.00 0.00 C ATOM 1215 C ASN A 78 -0.464 -1.865 -15.219 1.00 0.00 C ATOM 1216 O ASN A 78 -0.092 -1.444 -14.123 1.00 0.00 O ATOM 1217 CB ASN A 78 1.212 -0.730 -16.692 1.00 0.00 C ATOM 1218 CG ASN A 78 1.896 -1.787 -17.537 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.874 -2.474 -16.954 1.00 0.00 O flip ATOM 1220 ND2 ASN A 78 1.551 -1.984 -18.701 1.00 0.00 N flip ATOM 0 H ASN A 78 -0.466 1.053 -16.312 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.655 -1.607 -17.322 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.321 0.242 -17.172 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.708 -0.665 -15.724 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.795 -1.434 -19.109 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.021 -2.698 -19.258 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.022 -3.071 -15.377 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.234 -3.990 -14.266 1.00 0.00 C ATOM 1229 C ARG A 79 0.079 -4.723 -13.934 1.00 0.00 C ATOM 1230 O ARG A 79 0.179 -5.439 -12.939 1.00 0.00 O ATOM 1231 CB ARG A 79 -2.357 -4.981 -14.608 1.00 0.00 C ATOM 1232 CG ARG A 79 -3.757 -4.443 -14.311 1.00 0.00 C ATOM 1233 CD ARG A 79 -4.275 -3.554 -15.433 1.00 0.00 C ATOM 1234 NE ARG A 79 -5.659 -3.869 -15.795 1.00 0.00 N ATOM 1235 CZ ARG A 79 -6.716 -3.565 -15.042 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -6.558 -2.948 -13.878 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -7.937 -3.879 -15.456 1.00 0.00 N ATOM 0 H ARG A 79 -1.336 -3.431 -16.278 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.540 -3.428 -13.384 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.293 -5.240 -15.665 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.203 -5.901 -14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.443 -5.277 -14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.738 -3.877 -13.379 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.210 -2.510 -15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.637 -3.669 -16.309 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.824 -4.351 -16.679 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.623 -2.703 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.372 -2.719 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.066 -4.353 -16.350 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.746 -3.647 -14.880 1.00 0.00 H new ATOM 1251 N SER A 80 1.081 -4.516 -14.788 1.00 0.00 N ATOM 1252 CA SER A 80 2.406 -5.114 -14.635 1.00 0.00 C ATOM 1253 C SER A 80 3.353 -4.074 -14.030 1.00 0.00 C ATOM 1254 O SER A 80 4.527 -4.378 -13.799 1.00 0.00 O ATOM 1255 CB SER A 80 2.938 -5.554 -16.006 1.00 0.00 C ATOM 1256 OG SER A 80 2.117 -5.070 -17.067 1.00 0.00 O ATOM 0 H SER A 80 0.994 -3.923 -15.613 1.00 0.00 H new ATOM 0 HA SER A 80 2.342 -5.984 -13.981 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.956 -5.187 -16.137 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.983 -6.642 -16.047 1.00 0.00 H new ATOM 0 HG SER A 80 2.481 -4.224 -17.403 1.00 0.00 H new ATOM 1262 N GLU A 81 2.868 -2.886 -13.707 1.00 0.00 N ATOM 1263 CA GLU A 81 3.736 -1.913 -13.061 1.00 0.00 C ATOM 1264 C GLU A 81 3.818 -2.218 -11.557 1.00 0.00 C ATOM 1265 O GLU A 81 2.793 -2.307 -10.883 1.00 0.00 O ATOM 1266 CB GLU A 81 3.245 -0.485 -13.283 1.00 0.00 C ATOM 1267 CG GLU A 81 4.378 0.526 -13.347 1.00 0.00 C ATOM 1268 CD GLU A 81 5.081 0.527 -14.690 1.00 0.00 C ATOM 1269 OE1 GLU A 81 5.838 -0.427 -14.965 1.00 0.00 O ATOM 1270 OE2 GLU A 81 4.873 1.482 -15.468 1.00 0.00 O ATOM 0 H GLU A 81 1.910 -2.578 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 81 4.727 -1.992 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.674 -0.442 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.565 -0.210 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.983 1.522 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.102 0.306 -12.562 1.00 0.00 H new ATOM 1277 N GLU A 82 5.039 -2.373 -11.035 1.00 0.00 N ATOM 1278 CA GLU A 82 5.260 -2.661 -9.618 1.00 0.00 C ATOM 1279 C GLU A 82 5.154 -1.385 -8.784 1.00 0.00 C ATOM 1280 O GLU A 82 5.694 -0.339 -9.146 1.00 0.00 O ATOM 1281 CB GLU A 82 6.642 -3.293 -9.402 1.00 0.00 C ATOM 1282 CG GLU A 82 6.979 -4.402 -10.388 1.00 0.00 C ATOM 1283 CD GLU A 82 8.447 -4.429 -10.761 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.285 -4.618 -9.855 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.758 -4.265 -11.959 1.00 0.00 O ATOM 0 H GLU A 82 5.897 -2.302 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 82 4.490 -3.363 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.401 -2.514 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.692 -3.694 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.701 -5.363 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.382 -4.273 -11.291 1.00 0.00 H new ATOM 1292 N PHE A 83 4.415 -1.484 -7.691 1.00 0.00 N ATOM 1293 CA PHE A 83 4.170 -0.353 -6.807 1.00 0.00 C ATOM 1294 C PHE A 83 4.757 -0.508 -5.397 1.00 0.00 C ATOM 1295 O PHE A 83 5.280 -1.551 -5.009 1.00 0.00 O ATOM 1296 CB PHE A 83 2.669 -0.045 -6.721 1.00 0.00 C ATOM 1297 CG PHE A 83 2.225 0.991 -7.713 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.484 2.327 -7.477 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.568 0.638 -8.882 1.00 0.00 C ATOM 1300 CE1 PHE A 83 2.095 3.292 -8.377 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.181 1.602 -9.789 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.443 2.931 -9.535 1.00 0.00 C ATOM 0 H PHE A 83 3.968 -2.350 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 83 4.699 0.485 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.105 -0.963 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.431 0.298 -5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.999 2.618 -6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.357 -0.402 -9.084 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.301 4.333 -8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.673 1.316 -10.698 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.138 3.688 -10.243 1.00 0.00 H new ATOM 1312 N LEU A 84 4.595 0.582 -4.653 1.00 0.00 N ATOM 1313 CA LEU A 84 5.015 0.681 -3.254 1.00 0.00 C ATOM 1314 C LEU A 84 3.787 1.022 -2.411 1.00 0.00 C ATOM 1315 O LEU A 84 3.090 2.001 -2.688 1.00 0.00 O ATOM 1316 CB LEU A 84 6.119 1.738 -3.078 1.00 0.00 C ATOM 1317 CG LEU A 84 6.746 1.838 -1.680 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.833 2.594 -0.727 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.075 0.463 -1.118 1.00 0.00 C ATOM 0 H LEU A 84 4.162 1.435 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 84 5.436 -0.270 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.912 1.527 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.705 2.712 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 84 7.679 2.393 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.300 2.651 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.664 3.601 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.879 2.072 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.517 0.571 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.162 -0.128 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.782 -0.040 -1.778 1.00 0.00 H new ATOM 1331 N ILE A 85 3.490 0.179 -1.426 1.00 0.00 N ATOM 1332 CA ILE A 85 2.283 0.415 -0.629 1.00 0.00 C ATOM 1333 C ILE A 85 2.525 0.456 0.892 1.00 0.00 C ATOM 1334 O ILE A 85 2.726 -0.568 1.534 1.00 0.00 O ATOM 1335 CB ILE A 85 1.212 -0.641 -0.983 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.855 -0.549 -2.468 1.00 0.00 C ATOM 1337 CG2 ILE A 85 -0.043 -0.474 -0.132 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.323 -1.842 -3.045 1.00 0.00 C ATOM 0 H ILE A 85 4.039 -0.640 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 85 1.932 1.413 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 85 1.631 -1.625 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.110 0.234 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.741 -0.248 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.774 -1.234 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.214 -0.585 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.467 0.516 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.091 -1.701 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.075 -2.624 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.581 -2.134 -2.511 1.00 0.00 H new ATOM 1350 N ALA A 86 2.331 1.655 1.452 1.00 0.00 N ATOM 1351 CA ALA A 86 2.347 1.864 2.912 1.00 0.00 C ATOM 1352 C ALA A 86 0.881 1.895 3.351 1.00 0.00 C ATOM 1353 O ALA A 86 0.132 2.797 2.976 1.00 0.00 O ATOM 1354 CB ALA A 86 3.071 3.142 3.306 1.00 0.00 C ATOM 0 H ALA A 86 2.159 2.505 0.915 1.00 0.00 H new ATOM 0 HA ALA A 86 2.896 1.063 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.055 3.250 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.104 3.096 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.574 3.998 2.849 1.00 0.00 H new ATOM 1360 N GLY A 87 0.492 0.912 4.173 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.869 0.834 4.692 1.00 0.00 C ATOM 1362 C GLY A 87 -0.984 -0.144 5.859 1.00 0.00 C ATOM 1363 O GLY A 87 -0.381 -1.199 5.829 1.00 0.00 O ATOM 0 H GLY A 87 1.105 0.161 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.190 1.824 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.544 0.526 3.893 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.756 0.221 6.886 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.959 -0.600 8.087 1.00 0.00 C ATOM 1369 C LYS A 88 -2.922 -1.761 7.835 1.00 0.00 C ATOM 1370 O LYS A 88 -3.488 -1.899 6.749 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.450 0.264 9.256 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.321 0.885 10.067 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.824 1.871 11.095 1.00 0.00 C ATOM 1374 CE LYS A 88 -1.524 3.303 10.676 1.00 0.00 C ATOM 1375 NZ LYS A 88 -1.817 4.282 11.760 1.00 0.00 N ATOM 0 H LYS A 88 -2.264 1.105 6.909 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.993 -1.032 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.088 1.058 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.067 -0.347 9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.761 0.096 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.628 1.389 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.899 1.746 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.358 1.666 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.475 3.384 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.115 3.553 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.597 5.243 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.823 4.226 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.235 4.062 12.593 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.094 -2.604 8.855 1.00 0.00 N ATOM 1390 CA LEU A 89 -3.971 -3.784 8.790 1.00 0.00 C ATOM 1391 C LEU A 89 -5.157 -3.696 9.744 1.00 0.00 C ATOM 1392 O LEU A 89 -5.039 -3.161 10.848 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.194 -5.062 9.137 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.615 -5.821 7.952 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.058 -7.159 8.421 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.686 -6.039 6.889 1.00 0.00 C ATOM 0 H LEU A 89 -2.628 -2.490 9.755 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.342 -3.815 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.378 -4.798 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.857 -5.731 9.686 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.808 -5.233 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.644 -7.699 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.274 -6.988 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.857 -7.748 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.258 -6.583 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.508 -6.616 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.059 -5.074 6.545 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.288 -4.273 9.333 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.494 -4.322 10.150 1.00 0.00 C ATOM 1410 C GLN A 90 -7.986 -5.763 10.211 1.00 0.00 C ATOM 1411 O GLN A 90 -8.424 -6.322 9.203 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.562 -3.400 9.579 1.00 0.00 C ATOM 1413 CG GLN A 90 -8.209 -1.926 9.711 1.00 0.00 C ATOM 1414 CD GLN A 90 -8.055 -1.494 11.155 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -8.962 -1.675 11.967 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -6.904 -0.920 11.484 1.00 0.00 N ATOM 0 H GLN A 90 -6.390 -4.719 8.422 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.272 -3.977 11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.715 -3.638 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.507 -3.588 10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.281 -1.728 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.985 -1.326 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.179 -0.790 10.778 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.745 -0.609 12.442 1.00 0.00 H new ATOM 1425 N ASP A 91 -7.909 -6.356 11.402 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.342 -7.738 11.603 1.00 0.00 C ATOM 1427 C ASP A 91 -7.966 -8.618 10.415 1.00 0.00 C ATOM 1428 O ASP A 91 -8.670 -9.566 10.077 1.00 0.00 O ATOM 1429 CB ASP A 91 -9.846 -7.793 11.839 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.200 -7.729 13.310 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.099 -6.635 13.904 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -10.580 -8.779 13.871 1.00 0.00 O ATOM 0 H ASP A 91 -7.551 -5.901 12.242 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.828 -8.122 12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.324 -6.965 11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.245 -8.713 11.411 1.00 0.00 H new ATOM 1437 N GLY A 92 -6.851 -8.282 9.785 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.414 -9.038 8.643 1.00 0.00 C ATOM 1439 C GLY A 92 -6.264 -8.180 7.411 1.00 0.00 C ATOM 1440 O GLY A 92 -5.258 -8.244 6.717 1.00 0.00 O ATOM 0 H GLY A 92 -6.247 -7.503 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.460 -9.515 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.130 -9.835 8.443 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.352 -7.487 7.073 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.461 -6.721 5.831 1.00 0.00 C ATOM 1446 C LEU A 93 -6.661 -5.437 5.833 1.00 0.00 C ATOM 1447 O LEU A 93 -6.579 -4.731 6.834 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.938 -6.361 5.618 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.939 -7.472 5.957 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -11.336 -6.904 6.157 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -9.931 -8.541 4.887 1.00 0.00 C ATOM 0 H LEU A 93 -8.187 -7.441 7.657 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.059 -7.348 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.173 -5.486 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.078 -6.074 4.576 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.632 -7.933 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.027 -7.713 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.322 -6.184 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.661 -6.408 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.648 -9.320 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.206 -8.099 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.934 -8.975 4.814 1.00 0.00 H new ATOM 1463 N LEU A 94 -6.071 -5.156 4.675 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.260 -3.976 4.481 1.00 0.00 C ATOM 1465 C LEU A 94 -6.128 -2.734 4.384 1.00 0.00 C ATOM 1466 O LEU A 94 -7.289 -2.804 3.986 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.407 -4.122 3.222 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.421 -2.984 2.973 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.469 -2.822 4.148 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.645 -3.223 1.685 1.00 0.00 C ATOM 0 H LEU A 94 -6.147 -5.747 3.847 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.602 -3.868 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.850 -5.057 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.070 -4.203 2.360 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.989 -2.060 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.777 -2.005 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.039 -2.600 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.908 -3.745 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.947 -2.402 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.092 -4.159 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.340 -3.279 0.847 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.534 -1.599 4.698 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.228 -0.335 4.598 1.00 0.00 C ATOM 1484 C HIS A 95 -5.292 0.680 3.977 1.00 0.00 C ATOM 1485 O HIS A 95 -4.105 0.720 4.296 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.753 0.128 5.959 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.950 -0.647 6.426 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.133 -1.977 6.616 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.157 -0.050 6.730 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.432 -2.153 7.025 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.028 -0.977 7.088 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.570 -1.529 5.025 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.105 -0.449 3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.958 0.036 6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.013 1.185 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.358 1.010 6.683 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.892 -3.102 7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.996 -0.812 7.366 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.823 1.486 3.074 1.00 0.00 N ATOM 1501 CA ILE A 96 -5.002 2.486 2.399 1.00 0.00 C ATOM 1502 C ILE A 96 -5.642 3.852 2.436 1.00 0.00 C ATOM 1503 O ILE A 96 -6.863 3.985 2.375 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.716 2.126 0.926 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.227 0.729 0.596 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -3.223 2.226 0.635 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -4.502 -0.362 1.354 1.00 0.00 C ATOM 0 H ILE A 96 -6.803 1.472 2.792 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.061 2.502 2.948 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.246 2.839 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.292 0.675 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.120 0.553 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.038 1.969 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.883 3.244 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.679 1.536 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.912 -1.333 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.441 -0.332 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.631 -0.208 2.425 1.00 0.00 H new ATOM 1519 N THR A 97 -4.804 4.871 2.546 1.00 0.00 N ATOM 1520 CA THR A 97 -5.289 6.227 2.596 1.00 0.00 C ATOM 1521 C THR A 97 -4.451 7.139 1.717 1.00 0.00 C ATOM 1522 O THR A 97 -3.227 7.049 1.691 1.00 0.00 O ATOM 1523 CB THR A 97 -5.299 6.721 4.046 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.062 6.439 4.675 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.391 6.089 4.883 1.00 0.00 C ATOM 0 H THR A 97 -3.790 4.778 2.602 1.00 0.00 H new ATOM 0 HA THR A 97 -6.308 6.248 2.211 1.00 0.00 H new ATOM 0 HB THR A 97 -5.481 7.794 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.084 6.762 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.344 6.481 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.363 6.322 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.253 5.008 4.904 1.00 0.00 H new ATOM 1533 N THR A 98 -5.131 8.024 1.001 1.00 0.00 N ATOM 1534 CA THR A 98 -4.466 8.986 0.112 1.00 0.00 C ATOM 1535 C THR A 98 -3.499 9.906 0.887 1.00 0.00 C ATOM 1536 O THR A 98 -2.769 10.706 0.293 1.00 0.00 O ATOM 1537 CB THR A 98 -5.507 9.801 -0.663 1.00 0.00 C ATOM 1538 OG1 THR A 98 -4.968 11.043 -1.089 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.766 10.089 0.123 1.00 0.00 C ATOM 0 H THR A 98 -6.148 8.101 1.014 1.00 0.00 H new ATOM 0 HA THR A 98 -3.865 8.424 -0.603 1.00 0.00 H new ATOM 0 HB THR A 98 -5.773 9.175 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.994 11.033 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.454 10.669 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.239 9.150 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.514 10.656 1.019 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.461 9.731 2.205 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.543 10.476 3.048 1.00 0.00 C ATOM 1549 C CYS A 99 -1.538 9.535 3.685 1.00 0.00 C ATOM 1550 O CYS A 99 -0.975 9.820 4.745 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.247 11.341 4.093 1.00 0.00 C ATOM 1552 SG CYS A 99 -2.098 12.426 4.981 1.00 0.00 S ATOM 0 H CYS A 99 -4.059 9.077 2.710 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.012 11.176 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.010 11.947 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.760 10.697 4.807 1.00 0.00 H new ATOM 1557 N SER A 100 -1.287 8.432 2.990 1.00 0.00 N ATOM 1558 CA SER A 100 -0.312 7.437 3.400 1.00 0.00 C ATOM 1559 C SER A 100 0.755 7.340 2.310 1.00 0.00 C ATOM 1560 O SER A 100 0.484 7.668 1.151 1.00 0.00 O ATOM 1561 CB SER A 100 -0.984 6.072 3.623 1.00 0.00 C ATOM 1562 OG SER A 100 -1.161 5.801 5.002 1.00 0.00 O ATOM 0 H SER A 100 -1.762 8.204 2.117 1.00 0.00 H new ATOM 0 HA SER A 100 0.144 7.733 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.951 6.055 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.376 5.288 3.172 1.00 0.00 H new ATOM 0 HG SER A 100 -2.105 5.917 5.240 1.00 0.00 H new ATOM 1568 N PHE A 101 1.953 6.907 2.662 1.00 0.00 N ATOM 1569 CA PHE A 101 3.001 6.796 1.662 1.00 0.00 C ATOM 1570 C PHE A 101 2.677 5.680 0.657 1.00 0.00 C ATOM 1571 O PHE A 101 2.804 4.502 0.965 1.00 0.00 O ATOM 1572 CB PHE A 101 4.362 6.550 2.309 1.00 0.00 C ATOM 1573 CG PHE A 101 5.512 6.765 1.366 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.699 5.930 0.276 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.405 7.803 1.568 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.753 6.130 -0.594 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.461 8.009 0.701 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.636 7.172 -0.381 1.00 0.00 C ATOM 0 H PHE A 101 2.221 6.633 3.607 1.00 0.00 H new ATOM 0 HA PHE A 101 3.049 7.744 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.475 7.213 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.398 5.529 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.013 5.114 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.275 8.461 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.887 5.473 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.148 8.824 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.461 7.330 -1.060 1.00 0.00 H new ATOM 1588 N VAL A 102 2.248 6.051 -0.554 1.00 0.00 N ATOM 1589 CA VAL A 102 1.907 5.041 -1.560 1.00 0.00 C ATOM 1590 C VAL A 102 2.190 5.511 -2.987 1.00 0.00 C ATOM 1591 O VAL A 102 1.452 6.328 -3.533 1.00 0.00 O ATOM 1592 CB VAL A 102 0.418 4.625 -1.484 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.219 3.282 -2.167 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.093 4.568 -0.044 1.00 0.00 C ATOM 0 H VAL A 102 2.131 7.018 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 102 2.545 4.188 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.163 5.388 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.831 2.996 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.517 3.358 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.828 2.527 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.142 4.272 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.491 3.841 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.008 5.551 0.417 1.00 0.00 H new ATOM 1604 N ALA A 103 3.261 4.983 -3.587 1.00 0.00 N ATOM 1605 CA ALA A 103 3.627 5.358 -4.961 1.00 0.00 C ATOM 1606 C ALA A 103 4.478 4.285 -5.651 1.00 0.00 C ATOM 1607 O ALA A 103 4.852 3.290 -5.034 1.00 0.00 O ATOM 1608 CB ALA A 103 4.353 6.696 -4.963 1.00 0.00 C ATOM 0 H ALA A 103 3.884 4.303 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 103 2.702 5.447 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.619 6.964 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.702 7.464 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.258 6.620 -4.360 1.00 0.00 H new ATOM 1614 N PRO A 104 4.776 4.464 -6.959 1.00 0.00 N ATOM 1615 CA PRO A 104 5.566 3.500 -7.746 1.00 0.00 C ATOM 1616 C PRO A 104 6.933 3.200 -7.202 1.00 0.00 C ATOM 1617 O PRO A 104 7.789 4.087 -7.121 1.00 0.00 O ATOM 1618 CB PRO A 104 5.774 4.198 -9.085 1.00 0.00 C ATOM 1619 CG PRO A 104 4.614 5.121 -9.203 1.00 0.00 C ATOM 1620 CD PRO A 104 4.344 5.604 -7.795 1.00 0.00 C ATOM 0 HA PRO A 104 5.033 2.549 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.719 4.741 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.798 3.483 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.840 5.954 -9.868 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.745 4.610 -9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.907 6.509 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.290 5.837 -7.644 1.00 0.00 H new ATOM 1628 N TRP A 105 7.175 1.932 -6.924 1.00 0.00 N ATOM 1629 CA TRP A 105 8.490 1.516 -6.508 1.00 0.00 C ATOM 1630 C TRP A 105 9.452 2.139 -7.482 1.00 0.00 C ATOM 1631 O TRP A 105 10.433 2.777 -7.125 1.00 0.00 O ATOM 1632 CB TRP A 105 8.604 0.005 -6.635 1.00 0.00 C ATOM 1633 CG TRP A 105 9.873 -0.579 -6.120 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.838 -1.199 -6.855 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.307 -0.624 -4.760 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.849 -1.625 -6.036 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.548 -1.281 -4.744 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.770 -0.166 -3.556 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.262 -1.494 -3.570 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.479 -0.375 -2.389 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.714 -1.033 -2.405 1.00 0.00 C ATOM 0 H TRP A 105 6.483 1.184 -6.979 1.00 0.00 H new ATOM 0 HA TRP A 105 8.690 1.810 -5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.770 -0.453 -6.103 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.498 -0.265 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.810 -1.335 -7.926 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.689 -2.118 -6.338 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.817 0.343 -3.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.214 -2.004 -3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.074 -0.026 -1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.246 -1.180 -1.477 1.00 0.00 H new ATOM 1652 N ASN A 106 9.148 1.890 -8.744 1.00 0.00 N ATOM 1653 CA ASN A 106 9.930 2.346 -9.847 1.00 0.00 C ATOM 1654 C ASN A 106 10.367 3.810 -9.716 1.00 0.00 C ATOM 1655 O ASN A 106 11.371 4.215 -10.312 1.00 0.00 O ATOM 1656 CB ASN A 106 9.201 2.106 -11.164 1.00 0.00 C ATOM 1657 CG ASN A 106 9.496 0.727 -11.729 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.607 0.455 -12.185 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.503 -0.152 -11.701 1.00 0.00 N ATOM 0 H ASN A 106 8.328 1.351 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 106 10.846 1.756 -9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.127 2.214 -11.010 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.497 2.866 -11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.645 -1.094 -12.066 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.597 0.114 -11.314 1.00 0.00 H new ATOM 1666 N SER A 107 9.624 4.601 -8.940 1.00 0.00 N ATOM 1667 CA SER A 107 9.967 6.009 -8.753 1.00 0.00 C ATOM 1668 C SER A 107 10.819 6.224 -7.512 1.00 0.00 C ATOM 1669 O SER A 107 11.120 7.353 -7.130 1.00 0.00 O ATOM 1670 CB SER A 107 8.703 6.860 -8.662 1.00 0.00 C ATOM 1671 OG SER A 107 8.997 8.247 -8.753 1.00 0.00 O ATOM 0 H SER A 107 8.791 4.294 -8.437 1.00 0.00 H new ATOM 0 HA SER A 107 10.550 6.316 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.017 6.580 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.194 6.657 -7.720 1.00 0.00 H new ATOM 0 HG SER A 107 9.827 8.438 -8.269 1.00 0.00 H new ATOM 1677 N LEU A 108 11.168 5.135 -6.870 1.00 0.00 N ATOM 1678 CA LEU A 108 11.947 5.165 -5.656 1.00 0.00 C ATOM 1679 C LEU A 108 13.441 5.232 -5.912 1.00 0.00 C ATOM 1680 O LEU A 108 13.939 4.831 -6.963 1.00 0.00 O ATOM 1681 CB LEU A 108 11.620 3.922 -4.842 1.00 0.00 C ATOM 1682 CG LEU A 108 10.502 4.100 -3.820 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.168 4.285 -4.515 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.444 2.915 -2.878 1.00 0.00 C ATOM 0 H LEU A 108 10.917 4.196 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 108 11.684 6.073 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.343 3.120 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.521 3.599 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 108 10.716 4.995 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.383 4.410 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.209 5.169 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.951 3.409 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.640 3.062 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.258 2.005 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.393 2.824 -2.349 1.00 0.00 H new ATOM 1696 N SER A 109 14.139 5.699 -4.895 1.00 0.00 N ATOM 1697 CA SER A 109 15.584 5.783 -4.925 1.00 0.00 C ATOM 1698 C SER A 109 16.147 4.402 -4.989 1.00 0.00 C ATOM 1699 O SER A 109 15.556 3.435 -4.512 1.00 0.00 O ATOM 1700 CB SER A 109 16.109 6.528 -3.690 1.00 0.00 C ATOM 1701 OG SER A 109 15.282 7.632 -3.364 1.00 0.00 O ATOM 0 H SER A 109 13.720 6.030 -4.026 1.00 0.00 H new ATOM 0 HA SER A 109 15.898 6.343 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.156 5.844 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.125 6.875 -3.877 1.00 0.00 H new ATOM 0 HG SER A 109 15.640 8.086 -2.573 1.00 0.00 H new ATOM 1707 N LEU A 110 17.302 4.342 -5.575 1.00 0.00 N ATOM 1708 CA LEU A 110 18.021 3.109 -5.724 1.00 0.00 C ATOM 1709 C LEU A 110 18.457 2.591 -4.384 1.00 0.00 C ATOM 1710 O LEU A 110 18.581 1.387 -4.169 1.00 0.00 O ATOM 1711 CB LEU A 110 19.206 3.340 -6.642 1.00 0.00 C ATOM 1712 CG LEU A 110 19.937 4.695 -6.525 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.432 5.673 -7.574 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.864 5.321 -5.143 1.00 0.00 C ATOM 0 H LEU A 110 17.779 5.153 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 110 17.373 2.353 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.933 2.548 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.863 3.229 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 110 20.990 4.476 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.961 6.621 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.609 5.263 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.364 5.837 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.401 6.269 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.821 5.495 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.317 4.648 -4.415 1.00 0.00 H new ATOM 1726 N ALA A 111 18.657 3.523 -3.486 1.00 0.00 N ATOM 1727 CA ALA A 111 19.048 3.223 -2.150 1.00 0.00 C ATOM 1728 C ALA A 111 17.820 2.936 -1.331 1.00 0.00 C ATOM 1729 O ALA A 111 17.835 2.120 -0.411 1.00 0.00 O ATOM 1730 CB ALA A 111 19.857 4.365 -1.594 1.00 0.00 C ATOM 0 H ALA A 111 18.549 4.520 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 111 19.680 2.335 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.156 4.135 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.746 4.514 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.256 5.274 -1.600 1.00 0.00 H new ATOM 1736 N GLN A 112 16.746 3.619 -1.677 1.00 0.00 N ATOM 1737 CA GLN A 112 15.486 3.459 -1.009 1.00 0.00 C ATOM 1738 C GLN A 112 14.715 2.317 -1.637 1.00 0.00 C ATOM 1739 O GLN A 112 13.694 1.873 -1.116 1.00 0.00 O ATOM 1740 CB GLN A 112 14.713 4.772 -1.139 1.00 0.00 C ATOM 1741 CG GLN A 112 13.382 4.782 -0.434 1.00 0.00 C ATOM 1742 CD GLN A 112 12.712 6.141 -0.489 1.00 0.00 C ATOM 1743 OE1 GLN A 112 11.702 6.319 -1.168 1.00 0.00 O ATOM 1744 NE2 GLN A 112 13.277 7.113 0.217 1.00 0.00 N ATOM 0 H GLN A 112 16.732 4.302 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 112 15.635 3.223 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.326 5.581 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.552 4.982 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.727 4.038 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.522 4.490 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.115 6.923 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.873 8.050 0.209 1.00 0.00 H new ATOM 1753 N ARG A 113 15.322 1.751 -2.678 1.00 0.00 N ATOM 1754 CA ARG A 113 14.815 0.554 -3.289 1.00 0.00 C ATOM 1755 C ARG A 113 15.375 -0.562 -2.424 1.00 0.00 C ATOM 1756 O ARG A 113 14.659 -1.503 -2.079 1.00 0.00 O ATOM 1757 CB ARG A 113 15.288 0.447 -4.746 1.00 0.00 C ATOM 1758 CG ARG A 113 14.169 0.172 -5.727 1.00 0.00 C ATOM 1759 CD ARG A 113 13.654 1.438 -6.388 1.00 0.00 C ATOM 1760 NE ARG A 113 13.640 1.317 -7.844 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.635 1.710 -8.637 1.00 0.00 C ATOM 1762 NH1 ARG A 113 15.711 2.294 -8.125 1.00 0.00 N ATOM 1763 NH2 ARG A 113 14.554 1.523 -9.947 1.00 0.00 N ATOM 0 H ARG A 113 16.171 2.116 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 113 13.727 0.523 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.786 1.375 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.030 -0.348 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.523 -0.517 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.348 -0.323 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.647 1.652 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.281 2.281 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 113 12.815 0.905 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.779 2.444 -7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.470 2.593 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.729 1.078 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.317 1.824 -10.553 1.00 0.00 H new ATOM 1777 N ARG A 114 16.631 -0.453 -2.033 1.00 0.00 N ATOM 1778 CA ARG A 114 17.212 -1.470 -1.170 1.00 0.00 C ATOM 1779 C ARG A 114 16.770 -1.242 0.259 1.00 0.00 C ATOM 1780 O ARG A 114 16.240 -2.137 0.916 1.00 0.00 O ATOM 1781 CB ARG A 114 18.742 -1.496 -1.288 1.00 0.00 C ATOM 1782 CG ARG A 114 19.506 -0.612 -0.309 1.00 0.00 C ATOM 1783 CD ARG A 114 19.522 -1.205 1.090 1.00 0.00 C ATOM 1784 NE ARG A 114 20.871 -1.218 1.650 1.00 0.00 N ATOM 1785 CZ ARG A 114 21.476 -0.143 2.149 1.00 0.00 C ATOM 1786 NH1 ARG A 114 20.858 1.029 2.151 1.00 0.00 N ATOM 1787 NH2 ARG A 114 22.703 -0.239 2.642 1.00 0.00 N ATOM 0 H ARG A 114 17.258 0.309 -2.290 1.00 0.00 H new ATOM 0 HA ARG A 114 16.853 -2.448 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 114 19.079 -2.524 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 114 19.013 -1.199 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.529 -0.480 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 114 19.049 0.377 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.863 -0.628 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.129 -2.221 1.060 1.00 0.00 H new ATOM 0 HE ARG A 114 21.379 -2.103 1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 114 19.916 1.109 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 114 21.325 1.851 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 114 23.185 -1.138 2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 114 23.165 0.586 3.024 1.00 0.00 H new ATOM 1801 N GLY A 115 16.985 -0.032 0.732 1.00 0.00 N ATOM 1802 CA GLY A 115 16.604 0.303 2.071 1.00 0.00 C ATOM 1803 C GLY A 115 15.171 -0.078 2.361 1.00 0.00 C ATOM 1804 O GLY A 115 14.907 -0.716 3.373 1.00 0.00 O ATOM 0 H GLY A 115 17.420 0.726 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.264 -0.205 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.734 1.374 2.228 1.00 0.00 H new ATOM 1808 N PHE A 116 14.228 0.285 1.526 1.00 0.00 N ATOM 1809 CA PHE A 116 12.844 -0.085 1.837 1.00 0.00 C ATOM 1810 C PHE A 116 12.707 -1.590 1.969 1.00 0.00 C ATOM 1811 O PHE A 116 11.722 -2.089 2.513 1.00 0.00 O ATOM 1812 CB PHE A 116 11.862 0.420 0.791 1.00 0.00 C ATOM 1813 CG PHE A 116 11.265 1.756 1.104 1.00 0.00 C ATOM 1814 CD1 PHE A 116 10.758 2.033 2.362 1.00 0.00 C ATOM 1815 CD2 PHE A 116 11.187 2.722 0.131 1.00 0.00 C ATOM 1816 CE1 PHE A 116 10.178 3.256 2.635 1.00 0.00 C ATOM 1817 CE2 PHE A 116 10.617 3.949 0.397 1.00 0.00 C ATOM 1818 CZ PHE A 116 10.108 4.215 1.648 1.00 0.00 C ATOM 0 H PHE A 116 14.367 0.811 0.663 1.00 0.00 H new ATOM 0 HA PHE A 116 12.601 0.391 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.371 0.479 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 116 11.058 -0.308 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 116 10.817 1.284 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 116 11.577 2.518 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 116 9.781 3.460 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.570 4.701 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.655 5.173 1.855 1.00 0.00 H new ATOM 1828 N THR A 117 13.732 -2.299 1.523 1.00 0.00 N ATOM 1829 CA THR A 117 13.760 -3.733 1.638 1.00 0.00 C ATOM 1830 C THR A 117 14.522 -4.132 2.901 1.00 0.00 C ATOM 1831 O THR A 117 14.401 -5.262 3.374 1.00 0.00 O ATOM 1832 CB THR A 117 14.364 -4.351 0.365 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.553 -5.416 -0.100 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.773 -4.891 0.524 1.00 0.00 C ATOM 0 H THR A 117 14.555 -1.894 1.077 1.00 0.00 H new ATOM 0 HA THR A 117 12.746 -4.121 1.732 1.00 0.00 H new ATOM 0 HB THR A 117 14.406 -3.524 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.696 -5.061 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.113 -5.306 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.440 -4.084 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.780 -5.672 1.284 1.00 0.00 H new ATOM 1842 N LYS A 118 15.329 -3.198 3.434 1.00 0.00 N ATOM 1843 CA LYS A 118 16.124 -3.474 4.631 1.00 0.00 C ATOM 1844 C LYS A 118 16.190 -2.308 5.650 1.00 0.00 C ATOM 1845 O LYS A 118 16.317 -2.534 6.855 1.00 0.00 O ATOM 1846 CB LYS A 118 17.537 -3.862 4.185 1.00 0.00 C ATOM 1847 CG LYS A 118 18.422 -2.679 3.810 1.00 0.00 C ATOM 1848 CD LYS A 118 19.892 -3.067 3.799 1.00 0.00 C ATOM 1849 CE LYS A 118 20.217 -4.000 2.640 1.00 0.00 C ATOM 1850 NZ LYS A 118 19.960 -5.425 2.977 1.00 0.00 N ATOM 0 H LYS A 118 15.444 -2.258 3.056 1.00 0.00 H new ATOM 0 HA LYS A 118 15.627 -4.285 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.018 -4.421 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.464 -4.532 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.135 -2.306 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.264 -1.866 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.505 -2.169 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.148 -3.553 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 118 19.620 -3.720 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 118 21.263 -3.878 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.743 -6.012 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 19.886 -5.530 4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.071 -5.732 2.534 1.00 0.00 H new ATOM 1864 N THR A 119 16.207 -1.077 5.148 1.00 0.00 N ATOM 1865 CA THR A 119 16.377 0.134 5.979 1.00 0.00 C ATOM 1866 C THR A 119 15.233 0.582 6.858 1.00 0.00 C ATOM 1867 O THR A 119 15.485 1.195 7.900 1.00 0.00 O ATOM 1868 CB THR A 119 16.633 1.362 5.122 1.00 0.00 C ATOM 1869 OG1 THR A 119 15.802 1.372 4.000 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.072 1.523 4.659 1.00 0.00 C ATOM 0 H THR A 119 16.104 -0.879 4.153 1.00 0.00 H new ATOM 0 HA THR A 119 17.198 -0.199 6.614 1.00 0.00 H new ATOM 0 HB THR A 119 16.412 2.203 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.087 2.029 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 119 18.161 2.425 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.727 1.602 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 119 18.362 0.657 4.064 1.00 0.00 H new ATOM 1878 N TYR A 120 13.991 0.455 6.431 1.00 0.00 N ATOM 1879 CA TYR A 120 12.940 1.052 7.219 1.00 0.00 C ATOM 1880 C TYR A 120 12.297 0.174 8.285 1.00 0.00 C ATOM 1881 O TYR A 120 11.150 0.381 8.669 1.00 0.00 O ATOM 1882 CB TYR A 120 11.854 1.591 6.307 1.00 0.00 C ATOM 1883 CG TYR A 120 12.317 2.543 5.235 1.00 0.00 C ATOM 1884 CD1 TYR A 120 13.206 2.156 4.242 1.00 0.00 C ATOM 1885 CD2 TYR A 120 11.830 3.837 5.210 1.00 0.00 C ATOM 1886 CE1 TYR A 120 13.595 3.041 3.255 1.00 0.00 C ATOM 1887 CE2 TYR A 120 12.210 4.723 4.232 1.00 0.00 C ATOM 1888 CZ TYR A 120 13.092 4.323 3.255 1.00 0.00 C ATOM 1889 OH TYR A 120 13.476 5.211 2.280 1.00 0.00 O ATOM 0 H TYR A 120 13.697 -0.032 5.584 1.00 0.00 H new ATOM 0 HA TYR A 120 13.448 1.840 7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.355 0.748 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.108 2.097 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 120 13.599 1.150 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.137 4.157 5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 120 14.289 2.729 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 120 11.818 5.729 4.230 1.00 0.00 H new ATOM 0 HH TYR A 120 14.408 5.040 2.031 1.00 0.00 H new ATOM 1899 N THR A 121 13.030 -0.819 8.740 1.00 0.00 N ATOM 1900 CA THR A 121 12.514 -1.734 9.740 1.00 0.00 C ATOM 1901 C THR A 121 12.994 -1.362 11.153 1.00 0.00 C ATOM 1902 O THR A 121 12.317 -1.484 12.176 1.00 0.00 O ATOM 1903 CB THR A 121 12.868 -3.181 9.387 1.00 0.00 C ATOM 1904 OG1 THR A 121 13.438 -3.854 10.497 1.00 0.00 O ATOM 1905 CG2 THR A 121 13.826 -3.320 8.210 1.00 0.00 C ATOM 0 H THR A 121 13.984 -1.015 8.435 1.00 0.00 H new ATOM 0 HA THR A 121 11.428 -1.646 9.742 1.00 0.00 H new ATOM 0 HB THR A 121 11.918 -3.632 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 121 13.653 -4.776 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 121 14.025 -4.376 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.378 -2.875 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 121 14.761 -2.809 8.440 1.00 0.00 H new ATOM 1913 N VAL A 122 14.221 -0.822 11.072 1.00 0.00 N ATOM 1914 CA VAL A 122 14.947 -0.294 12.222 1.00 0.00 C ATOM 1915 C VAL A 122 15.361 1.162 12.023 1.00 0.00 C ATOM 1916 O VAL A 122 15.578 1.893 12.991 1.00 0.00 O ATOM 1917 CB VAL A 122 16.198 -1.124 12.522 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.781 -0.745 13.875 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.886 -2.611 12.468 1.00 0.00 C ATOM 0 H VAL A 122 14.735 -0.742 10.195 1.00 0.00 H new ATOM 0 HA VAL A 122 14.258 -0.352 13.065 1.00 0.00 H new ATOM 0 HB VAL A 122 16.942 -0.906 11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 122 17.669 -1.346 14.070 1.00 0.00 H new ATOM 0 HG12 VAL A 122 17.051 0.311 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 122 16.041 -0.928 14.654 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.790 -3.181 12.684 1.00 0.00 H new ATOM 0 HG22 VAL A 122 15.121 -2.849 13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 122 15.523 -2.871 11.474 1.00 0.00 H new ATOM 1929 N GLY A 123 15.494 1.570 10.763 1.00 0.00 N ATOM 1930 CA GLY A 123 15.912 2.921 10.453 1.00 0.00 C ATOM 1931 C GLY A 123 14.886 3.659 9.631 1.00 0.00 C ATOM 1932 O GLY A 123 15.220 4.556 8.860 1.00 0.00 O ATOM 0 H GLY A 123 15.318 0.982 9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 123 16.093 3.465 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.857 2.892 9.911 1.00 0.00 H new ATOM 1936 N CYS A 124 13.634 3.262 9.807 1.00 0.00 N ATOM 1937 CA CYS A 124 12.503 3.863 9.104 1.00 0.00 C ATOM 1938 C CYS A 124 12.492 5.378 9.310 1.00 0.00 C ATOM 1939 O CYS A 124 11.552 5.914 9.890 1.00 0.00 O ATOM 1940 CB CYS A 124 11.225 3.240 9.651 1.00 0.00 C ATOM 1941 SG CYS A 124 10.962 3.579 11.422 1.00 0.00 S ATOM 0 H CYS A 124 13.370 2.510 10.444 1.00 0.00 H new ATOM 0 HA CYS A 124 12.582 3.676 8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.373 3.618 9.085 1.00 0.00 H new ATOM 0 HB3 CYS A 124 11.259 2.162 9.495 1.00 0.00 H new ATOM 1946 N GLU A 125 13.529 6.071 8.847 1.00 0.00 N ATOM 1947 CA GLU A 125 13.586 7.523 9.010 1.00 0.00 C ATOM 1948 C GLU A 125 13.824 8.281 7.699 1.00 0.00 C ATOM 1949 O GLU A 125 14.737 9.102 7.612 1.00 0.00 O ATOM 1950 CB GLU A 125 14.633 7.912 10.056 1.00 0.00 C ATOM 1951 CG GLU A 125 15.540 6.766 10.454 1.00 0.00 C ATOM 1952 CD GLU A 125 16.274 7.034 11.751 1.00 0.00 C ATOM 1953 OE1 GLU A 125 17.053 8.007 11.806 1.00 0.00 O ATOM 1954 OE2 GLU A 125 16.060 6.272 12.718 1.00 0.00 O ATOM 0 H GLU A 125 14.329 5.661 8.364 1.00 0.00 H new ATOM 0 HA GLU A 125 12.598 7.824 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 125 15.241 8.728 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 125 14.126 8.290 10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.948 5.856 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.265 6.587 9.660 1.00 0.00 H new ATOM 1961 N GLU A 126 12.996 8.043 6.685 1.00 0.00 N ATOM 1962 CA GLU A 126 13.151 8.761 5.429 1.00 0.00 C ATOM 1963 C GLU A 126 12.058 9.811 5.246 1.00 0.00 C ATOM 1964 O GLU A 126 12.173 10.630 4.310 1.00 0.00 O ATOM 1965 CB GLU A 126 13.197 7.801 4.252 1.00 0.00 C ATOM 1966 CG GLU A 126 14.603 7.321 3.930 1.00 0.00 C ATOM 1967 CD GLU A 126 15.374 8.309 3.082 1.00 0.00 C ATOM 1968 OE1 GLU A 126 14.882 8.664 1.991 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.469 8.726 3.510 1.00 0.00 O ATOM 1970 OXT GLU A 126 11.094 9.804 6.040 1.00 0.00 O ATOM 0 H GLU A 126 12.227 7.373 6.708 1.00 0.00 H new ATOM 0 HA GLU A 126 14.105 9.288 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.566 6.939 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 126 12.777 8.291 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.145 7.145 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.546 6.366 3.408 1.00 0.00 H new