USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 807 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 114 SER OG : rot 179:sc= 0.676 USER MOD Set 1.2: A 119 SER OG : rot -135:sc= 0.785 USER MOD Set 2.1: A 83 ASN : amide:sc= -2.05! C(o=-1.8!,f=-3.6!) USER MOD Set 2.2: A 96 THR OG1 : rot 164:sc= 0.204 USER MOD Set 3.1: A 78 SER OG : rot 91:sc= 1.26 USER MOD Set 3.2: A 79 ASN :FLIP amide:sc= 0.721 F(o=-2.5,f=2) USER MOD Set 4.1: A 19 GLN : amide:sc= 0.00113 X(o=-1.8,f=-1.8) USER MOD Set 4.2: A 36 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -1.27 F(o=-1.9!,f=-1.3) USER MOD Single : A 29 SER OG : rot 100:sc= -0.578 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -158:sc= -2.73! USER MOD Single : A 34 SER OG : rot 42:sc= 0.0163 USER MOD Single : A 37 SER OG : rot 8:sc= 0.435 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.61! C(o=-8.3!,f=-7.6!) USER MOD Single : A 45 SER OG : rot -78:sc= 0.828 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -47:sc= -5.06! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.55 K(o=-1.5,f=-4.1!) USER MOD Single : A 68 SER OG : rot -15:sc= 0.976 USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= -0.0378 (180deg=-0.802) USER MOD Single : A 72 GLN : amide:sc= -0.971 X(o=-0.97,f=-0.67) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -51:sc= 0.0848 USER MOD Single : A 82 HIS : no HE2:sc= -5! C(o=-5!,f=-5.4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 110:sc=-0.00196 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 75:sc= 1.11 USER MOD Single : A 97 TYR OH : rot 180:sc= -2.44! USER MOD Single : A 98 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 100 ASN : amide:sc= -5.04 K(o=-5,f=-14!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -54:sc= -5.32! USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 34.379 -3.332 1.239 1.00 0.00 N ATOM 2 CA ARG A 7 33.632 -2.390 2.065 1.00 0.00 C ATOM 3 C ARG A 7 32.144 -2.445 1.737 1.00 0.00 C ATOM 4 O ARG A 7 31.761 -2.598 0.577 1.00 0.00 O ATOM 5 CB ARG A 7 34.157 -0.976 1.858 1.00 0.00 C ATOM 6 CG ARG A 7 34.172 -0.595 0.403 1.00 0.00 C ATOM 7 CD ARG A 7 35.572 -0.261 -0.082 1.00 0.00 C ATOM 8 NE ARG A 7 35.768 -0.633 -1.480 1.00 0.00 N ATOM 9 CZ ARG A 7 36.823 -0.265 -2.198 1.00 0.00 C ATOM 10 NH1 ARG A 7 37.773 0.480 -1.649 1.00 0.00 N ATOM 11 NH2 ARG A 7 36.931 -0.643 -3.464 1.00 0.00 N ATOM 0 HA ARG A 7 33.767 -2.671 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 7 33.535 -0.272 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 7 35.165 -0.899 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 7 33.768 -1.415 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 7 33.519 0.264 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.752 0.807 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 7 36.304 -0.779 0.537 1.00 0.00 H new ATOM 0 HE ARG A 7 35.055 -1.207 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 7 37.694 0.771 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 7 38.583 0.762 -2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 7 36.203 -1.218 -3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 7 37.742 -0.359 -4.014 1.00 0.00 H new ATOM 25 N ARG A 8 31.307 -2.314 2.761 1.00 0.00 N ATOM 26 CA ARG A 8 29.864 -2.355 2.571 1.00 0.00 C ATOM 27 C ARG A 8 29.319 -0.972 2.223 1.00 0.00 C ATOM 28 O ARG A 8 30.054 -0.116 1.729 1.00 0.00 O ATOM 29 CB ARG A 8 29.182 -2.909 3.820 1.00 0.00 C ATOM 30 CG ARG A 8 29.110 -1.924 4.975 1.00 0.00 C ATOM 31 CD ARG A 8 28.247 -2.462 6.102 1.00 0.00 C ATOM 32 NE ARG A 8 29.047 -2.932 7.228 1.00 0.00 N ATOM 33 CZ ARG A 8 28.526 -3.476 8.324 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.213 -3.615 8.438 1.00 0.00 N ATOM 35 NH2 ARG A 8 29.319 -3.880 9.307 1.00 0.00 N ATOM 0 H ARG A 8 31.603 -2.179 3.728 1.00 0.00 H new ATOM 0 HA ARG A 8 29.646 -3.019 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.171 -3.223 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 8 29.717 -3.800 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 8 30.114 -1.722 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 8 28.704 -0.976 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.567 -1.681 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.632 -3.280 5.728 1.00 0.00 H new ATOM 0 HE ARG A 8 30.061 -2.838 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 8 26.600 -3.304 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.816 -4.033 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 8 30.330 -3.774 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.918 -4.297 10.147 1.00 0.00 H new ATOM 49 N CYS A 9 28.025 -0.760 2.454 1.00 0.00 N ATOM 50 CA CYS A 9 27.399 0.517 2.125 1.00 0.00 C ATOM 51 C CYS A 9 26.885 1.227 3.372 1.00 0.00 C ATOM 52 O CYS A 9 26.705 0.609 4.421 1.00 0.00 O ATOM 53 CB CYS A 9 26.253 0.298 1.142 1.00 0.00 C ATOM 54 SG CYS A 9 26.784 0.108 -0.590 1.00 0.00 S ATOM 0 H CYS A 9 27.395 -1.450 2.864 1.00 0.00 H new ATOM 0 HA CYS A 9 28.157 1.152 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.698 -0.591 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.565 1.141 1.209 1.00 0.00 H new ATOM 59 N PRO A 10 26.639 2.547 3.271 1.00 0.00 N ATOM 60 CA PRO A 10 26.137 3.341 4.393 1.00 0.00 C ATOM 61 C PRO A 10 24.685 3.015 4.719 1.00 0.00 C ATOM 62 O PRO A 10 24.040 2.241 4.012 1.00 0.00 O ATOM 63 CB PRO A 10 26.269 4.781 3.902 1.00 0.00 C ATOM 64 CG PRO A 10 26.196 4.681 2.420 1.00 0.00 C ATOM 65 CD PRO A 10 26.823 3.364 2.055 1.00 0.00 C ATOM 0 HA PRO A 10 26.688 3.145 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.470 5.409 4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.211 5.224 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.162 4.728 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.726 5.508 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.335 2.913 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.877 3.477 1.803 1.00 0.00 H new ATOM 73 N SER A 11 24.177 3.606 5.793 1.00 0.00 N ATOM 74 CA SER A 11 22.803 3.369 6.211 1.00 0.00 C ATOM 75 C SER A 11 21.828 3.657 5.070 1.00 0.00 C ATOM 76 O SER A 11 21.613 4.814 4.708 1.00 0.00 O ATOM 77 CB SER A 11 22.459 4.241 7.420 1.00 0.00 C ATOM 78 OG SER A 11 21.197 3.890 7.960 1.00 0.00 O ATOM 0 H SER A 11 24.695 4.252 6.389 1.00 0.00 H new ATOM 0 HA SER A 11 22.711 2.319 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.229 4.129 8.184 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.453 5.290 7.125 1.00 0.00 H new ATOM 0 HG SER A 11 21.002 4.461 8.732 1.00 0.00 H new ATOM 84 N PRO A 12 21.224 2.608 4.482 1.00 0.00 N ATOM 85 CA PRO A 12 20.272 2.768 3.384 1.00 0.00 C ATOM 86 C PRO A 12 19.248 3.860 3.667 1.00 0.00 C ATOM 87 O PRO A 12 19.092 4.299 4.806 1.00 0.00 O ATOM 88 CB PRO A 12 19.584 1.410 3.300 1.00 0.00 C ATOM 89 CG PRO A 12 20.557 0.436 3.868 1.00 0.00 C ATOM 90 CD PRO A 12 21.417 1.192 4.847 1.00 0.00 C ATOM 0 HA PRO A 12 20.767 3.065 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.651 1.407 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.334 1.160 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.037 -0.384 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.167 -0.004 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.111 1.001 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.464 0.899 4.766 1.00 0.00 H new ATOM 98 N ARG A 13 18.553 4.294 2.622 1.00 0.00 N ATOM 99 CA ARG A 13 17.517 5.305 2.768 1.00 0.00 C ATOM 100 C ARG A 13 16.291 4.691 3.415 1.00 0.00 C ATOM 101 O ARG A 13 16.119 3.476 3.398 1.00 0.00 O ATOM 102 CB ARG A 13 17.152 5.900 1.407 1.00 0.00 C ATOM 103 CG ARG A 13 16.711 7.353 1.478 1.00 0.00 C ATOM 104 CD ARG A 13 16.993 8.085 0.175 1.00 0.00 C ATOM 105 NE ARG A 13 16.285 9.360 0.100 1.00 0.00 N ATOM 106 CZ ARG A 13 16.470 10.249 -0.871 1.00 0.00 C ATOM 107 NH1 ARG A 13 15.789 11.387 -0.869 1.00 0.00 N ATOM 108 NH2 ARG A 13 17.337 10.003 -1.844 1.00 0.00 N ATOM 0 H ARG A 13 18.689 3.962 1.667 1.00 0.00 H new ATOM 0 HA ARG A 13 17.895 6.106 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.013 5.822 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.352 5.307 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.645 7.400 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.229 7.852 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.065 8.259 0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.698 7.456 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 13 15.611 9.581 0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.122 11.581 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.932 12.068 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.864 9.130 -1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.477 10.687 -2.588 1.00 0.00 H new ATOM 122 N ASP A 14 15.455 5.525 4.006 1.00 0.00 N ATOM 123 CA ASP A 14 14.270 5.037 4.687 1.00 0.00 C ATOM 124 C ASP A 14 13.004 5.386 3.922 1.00 0.00 C ATOM 125 O ASP A 14 13.055 5.927 2.818 1.00 0.00 O ATOM 126 CB ASP A 14 14.204 5.616 6.095 1.00 0.00 C ATOM 127 CG ASP A 14 13.972 4.553 7.150 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.038 3.741 6.980 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.726 4.530 8.146 1.00 0.00 O ATOM 0 H ASP A 14 15.573 6.538 4.028 1.00 0.00 H new ATOM 0 HA ASP A 14 14.339 3.951 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.134 6.142 6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.402 6.353 6.144 1.00 0.00 H new ATOM 134 N ILE A 15 11.871 5.060 4.522 1.00 0.00 N ATOM 135 CA ILE A 15 10.575 5.319 3.912 1.00 0.00 C ATOM 136 C ILE A 15 9.503 5.536 4.969 1.00 0.00 C ATOM 137 O ILE A 15 9.529 4.909 6.029 1.00 0.00 O ATOM 138 CB ILE A 15 10.137 4.155 3.012 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.833 4.510 2.300 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.970 2.885 3.834 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.463 3.538 1.207 1.00 0.00 C ATOM 0 H ILE A 15 11.822 4.612 5.437 1.00 0.00 H new ATOM 0 HA ILE A 15 10.688 6.222 3.312 1.00 0.00 H new ATOM 0 HB ILE A 15 10.908 3.978 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.026 4.546 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.921 5.509 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.659 2.068 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.918 2.631 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.213 3.045 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.527 3.850 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.252 3.519 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.343 2.541 1.632 1.00 0.00 H new ATOM 153 N ASP A 16 8.547 6.405 4.668 1.00 0.00 N ATOM 154 CA ASP A 16 7.446 6.660 5.578 1.00 0.00 C ATOM 155 C ASP A 16 6.347 5.629 5.367 1.00 0.00 C ATOM 156 O ASP A 16 6.278 4.988 4.318 1.00 0.00 O ATOM 157 CB ASP A 16 6.889 8.063 5.360 1.00 0.00 C ATOM 158 CG ASP A 16 6.384 8.694 6.642 1.00 0.00 C ATOM 159 OD1 ASP A 16 6.237 9.933 6.676 1.00 0.00 O ATOM 160 OD2 ASP A 16 6.134 7.948 7.612 1.00 0.00 O ATOM 0 H ASP A 16 8.514 6.943 3.802 1.00 0.00 H new ATOM 0 HA ASP A 16 7.816 6.585 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.665 8.695 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.075 8.019 4.636 1.00 0.00 H new ATOM 165 N ASN A 17 5.500 5.458 6.372 1.00 0.00 N ATOM 166 CA ASN A 17 4.400 4.498 6.294 1.00 0.00 C ATOM 167 C ASN A 17 4.887 3.154 5.753 1.00 0.00 C ATOM 168 O ASN A 17 4.144 2.440 5.080 1.00 0.00 O ATOM 169 CB ASN A 17 3.272 5.034 5.403 1.00 0.00 C ATOM 170 CG ASN A 17 3.171 6.549 5.413 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.485 7.159 6.551 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 2.817 7.165 4.408 1.00 0.00 N flip ATOM 0 H ASN A 17 5.551 5.970 7.253 1.00 0.00 H new ATOM 0 HA ASN A 17 4.015 4.353 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.433 4.694 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.324 4.611 5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.585 6.658 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.756 8.183 4.429 1.00 0.00 H new ATOM 179 N GLY A 18 6.145 2.829 6.034 1.00 0.00 N ATOM 180 CA GLY A 18 6.715 1.581 5.559 1.00 0.00 C ATOM 181 C GLY A 18 7.911 1.133 6.380 1.00 0.00 C ATOM 182 O GLY A 18 8.342 1.835 7.295 1.00 0.00 O ATOM 0 H GLY A 18 6.781 3.408 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.951 0.804 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.017 1.697 4.518 1.00 0.00 H new ATOM 186 N GLN A 19 8.438 -0.047 6.060 1.00 0.00 N ATOM 187 CA GLN A 19 9.589 -0.597 6.772 1.00 0.00 C ATOM 188 C GLN A 19 10.526 -1.310 5.803 1.00 0.00 C ATOM 189 O GLN A 19 10.078 -2.044 4.922 1.00 0.00 O ATOM 190 CB GLN A 19 9.145 -1.577 7.868 1.00 0.00 C ATOM 191 CG GLN A 19 7.707 -1.394 8.329 1.00 0.00 C ATOM 192 CD GLN A 19 7.498 -1.812 9.771 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.642 -2.985 10.117 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.156 -0.851 10.622 1.00 0.00 N ATOM 0 H GLN A 19 8.085 -0.642 5.310 1.00 0.00 H new ATOM 0 HA GLN A 19 10.117 0.235 7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.269 -2.595 7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.806 -1.466 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.423 -0.348 8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.047 -1.977 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.048 0.108 10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.002 -1.072 11.606 1.00 0.00 H new ATOM 203 N LEU A 20 11.826 -1.104 5.979 1.00 0.00 N ATOM 204 CA LEU A 20 12.818 -1.721 5.113 1.00 0.00 C ATOM 205 C LEU A 20 13.147 -3.140 5.559 1.00 0.00 C ATOM 206 O LEU A 20 12.970 -3.498 6.724 1.00 0.00 O ATOM 207 CB LEU A 20 14.091 -0.887 5.107 1.00 0.00 C ATOM 208 CG LEU A 20 14.062 0.329 4.187 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.331 1.133 4.356 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.845 1.195 4.472 1.00 0.00 C ATOM 0 H LEU A 20 12.216 -0.514 6.714 1.00 0.00 H new ATOM 0 HA LEU A 20 12.397 -1.767 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.291 -0.549 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.924 -1.526 4.814 1.00 0.00 H new ATOM 0 HG LEU A 20 13.996 -0.018 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.303 2.000 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.415 1.467 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.191 0.513 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.846 2.056 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.938 0.612 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.877 1.539 5.506 1.00 0.00 H new ATOM 222 N ASP A 21 13.660 -3.929 4.625 1.00 0.00 N ATOM 223 CA ASP A 21 14.073 -5.299 4.906 1.00 0.00 C ATOM 224 C ASP A 21 15.523 -5.494 4.480 1.00 0.00 C ATOM 225 O ASP A 21 15.801 -6.071 3.428 1.00 0.00 O ATOM 226 CB ASP A 21 13.168 -6.294 4.177 1.00 0.00 C ATOM 227 CG ASP A 21 12.801 -7.484 5.041 1.00 0.00 C ATOM 228 OD1 ASP A 21 13.723 -8.170 5.530 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.591 -7.732 5.227 1.00 0.00 O ATOM 0 H ASP A 21 13.801 -3.641 3.657 1.00 0.00 H new ATOM 0 HA ASP A 21 13.986 -5.481 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.258 -5.786 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.670 -6.645 3.275 1.00 0.00 H new ATOM 234 N ILE A 22 16.440 -4.961 5.280 1.00 0.00 N ATOM 235 CA ILE A 22 17.864 -5.018 4.963 1.00 0.00 C ATOM 236 C ILE A 22 18.429 -6.422 5.117 1.00 0.00 C ATOM 237 O ILE A 22 18.693 -6.881 6.229 1.00 0.00 O ATOM 238 CB ILE A 22 18.694 -4.053 5.839 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.883 -2.797 6.187 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.987 -3.686 5.126 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.712 -1.652 6.736 1.00 0.00 C ATOM 0 H ILE A 22 16.223 -4.483 6.155 1.00 0.00 H new ATOM 0 HA ILE A 22 17.943 -4.712 3.920 1.00 0.00 H new ATOM 0 HB ILE A 22 18.943 -4.556 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.361 -2.456 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.121 -3.062 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.566 -3.006 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.568 -4.589 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.755 -3.200 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.062 -0.805 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.213 -1.971 7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.457 -1.356 5.998 1.00 0.00 H new ATOM 253 N GLY A 23 18.649 -7.084 3.988 1.00 0.00 N ATOM 254 CA GLY A 23 19.248 -8.402 4.006 1.00 0.00 C ATOM 255 C GLY A 23 20.717 -8.359 3.622 1.00 0.00 C ATOM 256 O GLY A 23 21.314 -9.388 3.305 1.00 0.00 O ATOM 0 H GLY A 23 18.422 -6.730 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.145 -8.835 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.711 -9.055 3.318 1.00 0.00 H new ATOM 260 N GLY A 24 21.299 -7.158 3.645 1.00 0.00 N ATOM 261 CA GLY A 24 22.696 -6.999 3.288 1.00 0.00 C ATOM 262 C GLY A 24 23.008 -5.590 2.819 1.00 0.00 C ATOM 263 O GLY A 24 22.301 -5.042 1.973 1.00 0.00 O ATOM 0 H GLY A 24 20.824 -6.294 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.320 -7.241 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.951 -7.708 2.500 1.00 0.00 H new ATOM 267 N VAL A 25 24.064 -5.000 3.370 1.00 0.00 N ATOM 268 CA VAL A 25 24.455 -3.653 3.033 1.00 0.00 C ATOM 269 C VAL A 25 25.811 -3.654 2.294 1.00 0.00 C ATOM 270 O VAL A 25 26.357 -2.598 1.980 1.00 0.00 O ATOM 271 CB VAL A 25 24.487 -2.821 4.346 1.00 0.00 C ATOM 272 CG1 VAL A 25 23.184 -2.065 4.555 1.00 0.00 C ATOM 273 CG2 VAL A 25 25.681 -1.898 4.443 1.00 0.00 C ATOM 0 H VAL A 25 24.666 -5.449 4.060 1.00 0.00 H new ATOM 0 HA VAL A 25 23.739 -3.197 2.349 1.00 0.00 H new ATOM 0 HB VAL A 25 24.598 -3.542 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.239 -1.494 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 25 23.020 -1.385 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.358 -2.773 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.640 -1.348 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.599 -2.485 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.666 -1.195 3.610 1.00 0.00 H new ATOM 283 N ASP A 26 26.329 -4.845 1.986 1.00 0.00 N ATOM 284 CA ASP A 26 27.619 -4.961 1.309 1.00 0.00 C ATOM 285 C ASP A 26 27.544 -4.471 -0.133 1.00 0.00 C ATOM 286 O ASP A 26 26.478 -4.479 -0.749 1.00 0.00 O ATOM 287 CB ASP A 26 28.122 -6.407 1.330 1.00 0.00 C ATOM 288 CG ASP A 26 27.016 -7.423 1.118 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.646 -7.663 -0.050 1.00 0.00 O ATOM 290 OD2 ASP A 26 26.519 -7.977 2.121 1.00 0.00 O ATOM 0 H ASP A 26 25.878 -5.736 2.193 1.00 0.00 H new ATOM 0 HA ASP A 26 28.320 -4.329 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.878 -6.534 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.609 -6.602 2.285 1.00 0.00 H new ATOM 295 N PHE A 27 28.692 -4.061 -0.669 1.00 0.00 N ATOM 296 CA PHE A 27 28.770 -3.581 -2.045 1.00 0.00 C ATOM 297 C PHE A 27 28.182 -4.604 -3.006 1.00 0.00 C ATOM 298 O PHE A 27 28.886 -5.483 -3.503 1.00 0.00 O ATOM 299 CB PHE A 27 30.221 -3.282 -2.426 1.00 0.00 C ATOM 300 CG PHE A 27 30.393 -2.872 -3.863 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.555 -3.184 -4.550 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.394 -2.174 -4.525 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.718 -2.810 -5.870 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.552 -1.797 -5.846 1.00 0.00 C ATOM 305 CZ PHE A 27 30.716 -2.115 -6.519 1.00 0.00 C ATOM 0 H PHE A 27 29.581 -4.052 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 27 28.189 -2.661 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.601 -2.489 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.828 -4.167 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.343 -3.726 -4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.483 -1.922 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 27 32.628 -3.061 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.766 -1.255 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.842 -1.821 -7.550 1.00 0.00 H new ATOM 315 N GLY A 28 26.885 -4.487 -3.259 1.00 0.00 N ATOM 316 CA GLY A 28 26.218 -5.413 -4.150 1.00 0.00 C ATOM 317 C GLY A 28 24.985 -6.043 -3.527 1.00 0.00 C ATOM 318 O GLY A 28 24.242 -6.756 -4.202 1.00 0.00 O ATOM 0 H GLY A 28 26.283 -3.766 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.932 -4.890 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.916 -6.199 -4.439 1.00 0.00 H new ATOM 322 N SER A 29 24.762 -5.788 -2.238 1.00 0.00 N ATOM 323 CA SER A 29 23.604 -6.341 -1.547 1.00 0.00 C ATOM 324 C SER A 29 22.327 -5.635 -1.988 1.00 0.00 C ATOM 325 O SER A 29 22.377 -4.629 -2.695 1.00 0.00 O ATOM 326 CB SER A 29 23.778 -6.211 -0.034 1.00 0.00 C ATOM 327 OG SER A 29 24.076 -4.874 0.330 1.00 0.00 O ATOM 0 H SER A 29 25.365 -5.206 -1.657 1.00 0.00 H new ATOM 0 HA SER A 29 23.524 -7.397 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.867 -6.534 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.579 -6.870 0.302 1.00 0.00 H new ATOM 0 HG SER A 29 23.262 -4.434 0.652 1.00 0.00 H new ATOM 333 N SER A 30 21.184 -6.170 -1.573 1.00 0.00 N ATOM 334 CA SER A 30 19.900 -5.581 -1.927 1.00 0.00 C ATOM 335 C SER A 30 18.962 -5.560 -0.728 1.00 0.00 C ATOM 336 O SER A 30 19.066 -6.395 0.171 1.00 0.00 O ATOM 337 CB SER A 30 19.256 -6.350 -3.083 1.00 0.00 C ATOM 338 OG SER A 30 19.601 -7.724 -3.037 1.00 0.00 O ATOM 0 H SER A 30 21.121 -7.007 -0.994 1.00 0.00 H new ATOM 0 HA SER A 30 20.079 -4.553 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.172 -6.242 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.578 -5.923 -4.032 1.00 0.00 H new ATOM 0 HG SER A 30 19.176 -8.193 -3.785 1.00 0.00 H new ATOM 344 N ILE A 31 18.051 -4.596 -0.720 1.00 0.00 N ATOM 345 CA ILE A 31 17.098 -4.449 0.375 1.00 0.00 C ATOM 346 C ILE A 31 15.675 -4.698 -0.113 1.00 0.00 C ATOM 347 O ILE A 31 15.434 -4.808 -1.315 1.00 0.00 O ATOM 348 CB ILE A 31 17.169 -3.042 1.019 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.547 -2.405 0.816 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.858 -3.124 2.501 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.619 -0.969 1.289 1.00 0.00 C ATOM 0 H ILE A 31 17.951 -3.902 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 31 17.367 -5.190 1.128 1.00 0.00 H new ATOM 0 HB ILE A 31 16.425 -2.415 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.294 -2.994 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.806 -2.445 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.912 -2.128 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.855 -3.528 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.583 -3.775 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.622 -0.579 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.896 -0.368 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.391 -0.925 2.354 1.00 0.00 H new ATOM 363 N THR A 32 14.736 -4.790 0.823 1.00 0.00 N ATOM 364 CA THR A 32 13.336 -5.013 0.479 1.00 0.00 C ATOM 365 C THR A 32 12.434 -4.062 1.255 1.00 0.00 C ATOM 366 O THR A 32 12.354 -4.127 2.480 1.00 0.00 O ATOM 367 CB THR A 32 12.937 -6.461 0.763 1.00 0.00 C ATOM 368 OG1 THR A 32 14.071 -7.309 0.728 1.00 0.00 O ATOM 369 CG2 THR A 32 11.924 -7.005 -0.222 1.00 0.00 C ATOM 0 H THR A 32 14.918 -4.714 1.824 1.00 0.00 H new ATOM 0 HA THR A 32 13.214 -4.818 -0.587 1.00 0.00 H new ATOM 0 HB THR A 32 12.485 -6.449 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.796 -8.231 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.684 -8.036 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.018 -6.401 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.340 -6.970 -1.229 1.00 0.00 H new ATOM 377 N TYR A 33 11.758 -3.175 0.534 1.00 0.00 N ATOM 378 CA TYR A 33 10.885 -2.194 1.166 1.00 0.00 C ATOM 379 C TYR A 33 9.463 -2.724 1.321 1.00 0.00 C ATOM 380 O TYR A 33 9.024 -3.591 0.566 1.00 0.00 O ATOM 381 CB TYR A 33 10.874 -0.900 0.352 1.00 0.00 C ATOM 382 CG TYR A 33 12.070 -0.018 0.618 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.351 -0.433 0.282 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.919 1.223 1.222 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.447 0.371 0.527 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.011 2.030 1.476 1.00 0.00 C ATOM 387 CZ TYR A 33 14.272 1.601 1.124 1.00 0.00 C ATOM 388 OH TYR A 33 15.361 2.403 1.371 1.00 0.00 O ATOM 0 H TYR A 33 11.797 -3.115 -0.483 1.00 0.00 H new ATOM 0 HA TYR A 33 11.277 -1.993 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.842 -1.147 -0.709 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.964 -0.344 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.493 -1.400 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.932 1.563 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.437 0.037 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.877 2.992 1.948 1.00 0.00 H new ATOM 0 HH TYR A 33 15.142 3.042 2.081 1.00 0.00 H new ATOM 398 N SER A 34 8.749 -2.193 2.310 1.00 0.00 N ATOM 399 CA SER A 34 7.370 -2.597 2.566 1.00 0.00 C ATOM 400 C SER A 34 6.611 -1.485 3.285 1.00 0.00 C ATOM 401 O SER A 34 7.213 -0.640 3.943 1.00 0.00 O ATOM 402 CB SER A 34 7.336 -3.878 3.402 1.00 0.00 C ATOM 403 OG SER A 34 7.044 -5.006 2.595 1.00 0.00 O ATOM 0 H SER A 34 9.104 -1.481 2.948 1.00 0.00 H new ATOM 0 HA SER A 34 6.886 -2.788 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.297 -4.019 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.585 -3.784 4.187 1.00 0.00 H new ATOM 0 HG SER A 34 7.546 -4.946 1.756 1.00 0.00 H new ATOM 409 N CYS A 35 5.288 -1.484 3.150 1.00 0.00 N ATOM 410 CA CYS A 35 4.461 -0.470 3.790 1.00 0.00 C ATOM 411 C CYS A 35 4.194 -0.825 5.249 1.00 0.00 C ATOM 412 O CYS A 35 4.462 -1.945 5.685 1.00 0.00 O ATOM 413 CB CYS A 35 3.139 -0.316 3.039 1.00 0.00 C ATOM 414 SG CYS A 35 3.202 0.866 1.654 1.00 0.00 S ATOM 0 H CYS A 35 4.769 -2.172 2.605 1.00 0.00 H new ATOM 0 HA CYS A 35 5.001 0.476 3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.835 -1.291 2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.370 0.005 3.742 1.00 0.00 H new ATOM 419 N ASN A 36 3.671 0.138 5.999 1.00 0.00 N ATOM 420 CA ASN A 36 3.383 -0.068 7.415 1.00 0.00 C ATOM 421 C ASN A 36 2.236 -1.057 7.607 1.00 0.00 C ATOM 422 O ASN A 36 2.462 -2.251 7.804 1.00 0.00 O ATOM 423 CB ASN A 36 3.048 1.265 8.087 1.00 0.00 C ATOM 424 CG ASN A 36 4.207 1.809 8.899 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.155 1.087 9.210 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.140 3.089 9.244 1.00 0.00 N ATOM 0 H ASN A 36 3.438 1.068 5.652 1.00 0.00 H new ATOM 0 HA ASN A 36 4.274 -0.488 7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.768 1.993 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.182 1.134 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.893 3.511 9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.336 3.651 8.965 1.00 0.00 H new ATOM 433 N SER A 37 1.005 -0.554 7.559 1.00 0.00 N ATOM 434 CA SER A 37 -0.171 -1.398 7.733 1.00 0.00 C ATOM 435 C SER A 37 -1.380 -0.805 7.018 1.00 0.00 C ATOM 436 O SER A 37 -1.669 0.384 7.148 1.00 0.00 O ATOM 437 CB SER A 37 -0.481 -1.574 9.221 1.00 0.00 C ATOM 438 OG SER A 37 0.473 -2.414 9.846 1.00 0.00 O ATOM 0 H SER A 37 0.798 0.432 7.401 1.00 0.00 H new ATOM 0 HA SER A 37 0.045 -2.372 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.489 -0.601 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.478 -1.999 9.340 1.00 0.00 H new ATOM 0 HG SER A 37 1.200 -2.606 9.218 1.00 0.00 H new ATOM 444 N GLY A 38 -2.085 -1.643 6.265 1.00 0.00 N ATOM 445 CA GLY A 38 -3.244 -1.178 5.528 1.00 0.00 C ATOM 446 C GLY A 38 -2.865 -0.233 4.405 1.00 0.00 C ATOM 447 O GLY A 38 -3.687 0.558 3.943 1.00 0.00 O ATOM 0 H GLY A 38 -1.874 -2.635 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.778 -2.034 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.928 -0.674 6.210 1.00 0.00 H new ATOM 451 N TYR A 39 -1.613 -0.316 3.969 1.00 0.00 N ATOM 452 CA TYR A 39 -1.115 0.538 2.900 1.00 0.00 C ATOM 453 C TYR A 39 -0.748 -0.287 1.673 1.00 0.00 C ATOM 454 O TYR A 39 -0.775 -1.517 1.709 1.00 0.00 O ATOM 455 CB TYR A 39 0.114 1.313 3.379 1.00 0.00 C ATOM 456 CG TYR A 39 -0.207 2.657 3.990 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.352 2.844 4.754 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.643 3.739 3.809 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.646 4.074 5.312 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.359 4.972 4.365 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.786 5.134 5.115 1.00 0.00 C ATOM 462 OH TYR A 39 -1.073 6.360 5.671 1.00 0.00 O ATOM 0 H TYR A 39 -0.923 -0.969 4.342 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.905 1.238 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.648 0.710 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.789 1.460 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.024 2.014 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.542 3.615 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.543 4.204 5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.031 5.804 4.213 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.367 6.998 5.438 1.00 0.00 H new ATOM 472 N HIS A 40 -0.391 0.397 0.591 1.00 0.00 N ATOM 473 CA HIS A 40 0.024 -0.278 -0.631 1.00 0.00 C ATOM 474 C HIS A 40 1.233 0.419 -1.241 1.00 0.00 C ATOM 475 O HIS A 40 1.159 1.580 -1.642 1.00 0.00 O ATOM 476 CB HIS A 40 -1.127 -0.346 -1.643 1.00 0.00 C ATOM 477 CG HIS A 40 -1.416 0.950 -2.338 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.521 2.211 -1.858 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.648 1.040 -3.696 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.807 3.030 -2.921 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.880 2.301 -4.019 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.381 1.415 0.536 1.00 0.00 H new ATOM 0 HA HIS A 40 0.305 -1.299 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.892 -1.102 -2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.029 -0.677 -1.128 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.408 2.499 -0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.641 0.210 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.949 4.099 -2.868 1.00 0.00 H new ATOM 490 N LEU A 41 2.353 -0.289 -1.270 1.00 0.00 N ATOM 491 CA LEU A 41 3.588 0.249 -1.817 1.00 0.00 C ATOM 492 C LEU A 41 3.561 0.205 -3.338 1.00 0.00 C ATOM 493 O LEU A 41 3.322 -0.846 -3.933 1.00 0.00 O ATOM 494 CB LEU A 41 4.782 -0.547 -1.288 1.00 0.00 C ATOM 495 CG LEU A 41 6.132 -0.174 -1.894 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.232 -0.292 -0.851 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.433 -1.054 -3.094 1.00 0.00 C ATOM 0 H LEU A 41 2.431 -1.243 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 41 3.686 1.288 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.837 -0.413 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.601 -1.606 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 41 6.089 0.862 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.189 -0.023 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.019 0.380 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.279 -1.318 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.399 -0.776 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.460 -2.098 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.656 -0.920 -3.847 1.00 0.00 H new ATOM 509 N ILE A 42 3.785 1.353 -3.966 1.00 0.00 N ATOM 510 CA ILE A 42 3.770 1.431 -5.422 1.00 0.00 C ATOM 511 C ILE A 42 5.183 1.472 -5.983 1.00 0.00 C ATOM 512 O ILE A 42 6.140 1.780 -5.272 1.00 0.00 O ATOM 513 CB ILE A 42 2.988 2.658 -5.938 1.00 0.00 C ATOM 514 CG1 ILE A 42 1.855 3.025 -4.976 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.431 2.375 -7.323 1.00 0.00 C ATOM 516 CD1 ILE A 42 0.938 1.864 -4.664 1.00 0.00 C ATOM 0 H ILE A 42 3.978 2.237 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 42 3.263 0.531 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 42 3.673 3.504 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.284 3.401 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.269 3.836 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.881 3.246 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.251 2.159 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.761 1.517 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.157 2.191 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.482 1.502 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.512 1.060 -4.204 1.00 0.00 H new ATOM 528 N GLY A 43 5.306 1.149 -7.263 1.00 0.00 N ATOM 529 CA GLY A 43 6.607 1.145 -7.906 1.00 0.00 C ATOM 530 C GLY A 43 7.476 -0.010 -7.449 1.00 0.00 C ATOM 531 O GLY A 43 7.010 -1.146 -7.356 1.00 0.00 O ATOM 0 H GLY A 43 4.528 0.889 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.475 1.091 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.116 2.085 -7.694 1.00 0.00 H new ATOM 535 N GLU A 44 8.742 0.278 -7.163 1.00 0.00 N ATOM 536 CA GLU A 44 9.676 -0.745 -6.715 1.00 0.00 C ATOM 537 C GLU A 44 9.490 -1.045 -5.234 1.00 0.00 C ATOM 538 O GLU A 44 8.578 -0.526 -4.593 1.00 0.00 O ATOM 539 CB GLU A 44 11.115 -0.290 -6.964 1.00 0.00 C ATOM 540 CG GLU A 44 11.412 1.091 -6.408 1.00 0.00 C ATOM 541 CD GLU A 44 11.985 2.031 -7.449 1.00 0.00 C ATOM 542 OE1 GLU A 44 11.998 3.255 -7.200 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.421 1.544 -8.513 1.00 0.00 O ATOM 0 H GLU A 44 9.143 1.213 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 44 9.476 -1.653 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.799 -1.010 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.309 -0.292 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.495 1.520 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.115 1.001 -5.580 1.00 0.00 H new ATOM 550 N SER A 45 10.380 -1.867 -4.697 1.00 0.00 N ATOM 551 CA SER A 45 10.340 -2.237 -3.290 1.00 0.00 C ATOM 552 C SER A 45 11.635 -2.924 -2.886 1.00 0.00 C ATOM 553 O SER A 45 11.647 -3.762 -1.984 1.00 0.00 O ATOM 554 CB SER A 45 9.153 -3.164 -3.022 1.00 0.00 C ATOM 555 OG SER A 45 8.616 -2.946 -1.730 1.00 0.00 O ATOM 0 H SER A 45 11.145 -2.293 -5.220 1.00 0.00 H new ATOM 0 HA SER A 45 10.224 -1.330 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.381 -2.997 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.470 -4.202 -3.117 1.00 0.00 H new ATOM 0 HG SER A 45 9.188 -3.377 -1.061 1.00 0.00 H new ATOM 561 N LYS A 46 12.727 -2.568 -3.558 1.00 0.00 N ATOM 562 CA LYS A 46 14.016 -3.180 -3.277 1.00 0.00 C ATOM 563 C LYS A 46 15.172 -2.264 -3.671 1.00 0.00 C ATOM 564 O LYS A 46 15.244 -1.786 -4.804 1.00 0.00 O ATOM 565 CB LYS A 46 14.128 -4.507 -4.027 1.00 0.00 C ATOM 566 CG LYS A 46 13.689 -5.711 -3.212 1.00 0.00 C ATOM 567 CD LYS A 46 12.922 -6.710 -4.063 1.00 0.00 C ATOM 568 CE LYS A 46 13.857 -7.571 -4.896 1.00 0.00 C ATOM 569 NZ LYS A 46 13.116 -8.379 -5.905 1.00 0.00 N ATOM 0 H LYS A 46 12.742 -1.863 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 46 14.080 -3.354 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.524 -4.454 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.162 -4.650 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.563 -6.196 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.063 -5.382 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.316 -7.348 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.235 -6.177 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.582 -6.934 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.419 -8.236 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.789 -8.952 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.441 -9.005 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.600 -7.744 -6.547 1.00 0.00 H new ATOM 583 N SER A 47 16.080 -2.036 -2.727 1.00 0.00 N ATOM 584 CA SER A 47 17.258 -1.210 -2.965 1.00 0.00 C ATOM 585 C SER A 47 18.430 -2.082 -3.372 1.00 0.00 C ATOM 586 O SER A 47 18.544 -3.213 -2.907 1.00 0.00 O ATOM 587 CB SER A 47 17.625 -0.443 -1.694 1.00 0.00 C ATOM 588 OG SER A 47 17.848 0.924 -1.958 1.00 0.00 O ATOM 0 H SER A 47 16.021 -2.416 -1.782 1.00 0.00 H new ATOM 0 HA SER A 47 17.032 -0.505 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.824 -0.547 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.520 -0.879 -1.251 1.00 0.00 H new ATOM 0 HG SER A 47 18.438 1.015 -2.735 1.00 0.00 H new ATOM 594 N TYR A 48 19.321 -1.564 -4.212 1.00 0.00 N ATOM 595 CA TYR A 48 20.495 -2.357 -4.596 1.00 0.00 C ATOM 596 C TYR A 48 21.787 -1.619 -4.304 1.00 0.00 C ATOM 597 O TYR A 48 22.077 -0.574 -4.884 1.00 0.00 O ATOM 598 CB TYR A 48 20.440 -2.793 -6.063 1.00 0.00 C ATOM 599 CG TYR A 48 19.036 -2.994 -6.563 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.203 -3.914 -5.950 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.535 -2.252 -7.622 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.909 -4.105 -6.386 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.242 -2.433 -8.069 1.00 0.00 C ATOM 604 CZ TYR A 48 16.430 -3.362 -7.447 1.00 0.00 C ATOM 605 OH TYR A 48 15.140 -3.548 -7.887 1.00 0.00 O ATOM 0 H TYR A 48 19.263 -0.635 -4.629 1.00 0.00 H new ATOM 0 HA TYR A 48 20.475 -3.259 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.935 -2.042 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.999 -3.721 -6.182 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.573 -4.492 -5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.167 -1.521 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.274 -4.831 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.867 -1.853 -8.899 1.00 0.00 H new ATOM 0 HH TYR A 48 14.961 -2.946 -8.640 1.00 0.00 H new ATOM 615 N CYS A 49 22.553 -2.183 -3.382 1.00 0.00 N ATOM 616 CA CYS A 49 23.828 -1.612 -2.986 1.00 0.00 C ATOM 617 C CYS A 49 24.811 -1.658 -4.140 1.00 0.00 C ATOM 618 O CYS A 49 25.429 -2.688 -4.409 1.00 0.00 O ATOM 619 CB CYS A 49 24.396 -2.364 -1.787 1.00 0.00 C ATOM 620 SG CYS A 49 25.980 -1.706 -1.184 1.00 0.00 S ATOM 0 H CYS A 49 22.309 -3.043 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 49 23.666 -0.571 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.669 -2.334 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.529 -3.411 -2.058 1.00 0.00 H new ATOM 625 N GLU A 50 24.933 -0.539 -4.830 1.00 0.00 N ATOM 626 CA GLU A 50 25.816 -0.450 -5.983 1.00 0.00 C ATOM 627 C GLU A 50 26.852 0.655 -5.786 1.00 0.00 C ATOM 628 O GLU A 50 26.834 1.375 -4.788 1.00 0.00 O ATOM 629 CB GLU A 50 24.968 -0.249 -7.259 1.00 0.00 C ATOM 630 CG GLU A 50 25.522 0.714 -8.307 1.00 0.00 C ATOM 631 CD GLU A 50 24.465 1.174 -9.291 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.722 2.123 -8.964 1.00 0.00 O ATOM 633 OE2 GLU A 50 24.380 0.584 -10.389 1.00 0.00 O ATOM 0 H GLU A 50 24.432 0.323 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 50 26.376 -1.379 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.828 -1.221 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.982 0.105 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.950 1.583 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.332 0.227 -8.850 1.00 0.00 H new ATOM 640 N LEU A 51 27.768 0.749 -6.735 1.00 0.00 N ATOM 641 CA LEU A 51 28.834 1.742 -6.685 1.00 0.00 C ATOM 642 C LEU A 51 28.358 3.088 -7.219 1.00 0.00 C ATOM 643 O LEU A 51 27.516 3.150 -8.115 1.00 0.00 O ATOM 644 CB LEU A 51 30.042 1.260 -7.490 1.00 0.00 C ATOM 645 CG LEU A 51 29.759 0.960 -8.963 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.562 -0.533 -9.176 1.00 0.00 C ATOM 647 CD2 LEU A 51 30.889 1.479 -9.839 1.00 0.00 C ATOM 0 H LEU A 51 27.796 0.145 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 51 29.124 1.872 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.824 2.018 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.436 0.359 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 51 28.840 1.472 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.362 -0.727 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.464 -1.066 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.719 -0.878 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 51 30.671 1.257 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 51 30.984 2.557 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.823 0.995 -9.553 1.00 0.00 H new ATOM 659 N GLY A 52 28.904 4.164 -6.662 1.00 0.00 N ATOM 660 CA GLY A 52 28.524 5.497 -7.089 1.00 0.00 C ATOM 661 C GLY A 52 29.134 5.879 -8.423 1.00 0.00 C ATOM 662 O GLY A 52 29.055 5.121 -9.390 1.00 0.00 O ATOM 0 H GLY A 52 29.604 4.136 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.438 5.556 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.833 6.218 -6.333 1.00 0.00 H new ATOM 666 N SER A 53 29.740 7.060 -8.477 1.00 0.00 N ATOM 667 CA SER A 53 30.362 7.545 -9.703 1.00 0.00 C ATOM 668 C SER A 53 31.882 7.545 -9.582 1.00 0.00 C ATOM 669 O SER A 53 32.593 7.363 -10.571 1.00 0.00 O ATOM 670 CB SER A 53 29.866 8.956 -10.025 1.00 0.00 C ATOM 671 OG SER A 53 30.429 9.431 -11.236 1.00 0.00 O ATOM 0 H SER A 53 29.814 7.699 -7.686 1.00 0.00 H new ATOM 0 HA SER A 53 30.081 6.872 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 53 28.779 8.954 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.126 9.631 -9.210 1.00 0.00 H new ATOM 0 HG SER A 53 30.095 10.334 -11.420 1.00 0.00 H new ATOM 677 N THR A 54 32.375 7.753 -8.366 1.00 0.00 N ATOM 678 CA THR A 54 33.812 7.779 -8.119 1.00 0.00 C ATOM 679 C THR A 54 34.280 6.475 -7.484 1.00 0.00 C ATOM 680 O THR A 54 35.168 6.472 -6.631 1.00 0.00 O ATOM 681 CB THR A 54 34.172 8.958 -7.214 1.00 0.00 C ATOM 682 OG1 THR A 54 33.587 8.803 -5.933 1.00 0.00 O ATOM 683 CG2 THR A 54 33.728 10.294 -7.766 1.00 0.00 C ATOM 0 H THR A 54 31.801 7.906 -7.537 1.00 0.00 H new ATOM 0 HA THR A 54 34.318 7.896 -9.077 1.00 0.00 H new ATOM 0 HB THR A 54 35.260 8.954 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 54 33.830 9.566 -5.368 1.00 0.00 H new ATOM 0 HG21 THR A 54 34.015 11.087 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 54 34.204 10.465 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.645 10.295 -7.890 1.00 0.00 H new ATOM 691 N GLY A 55 33.680 5.368 -7.907 1.00 0.00 N ATOM 692 CA GLY A 55 34.049 4.073 -7.367 1.00 0.00 C ATOM 693 C GLY A 55 33.657 3.920 -5.911 1.00 0.00 C ATOM 694 O GLY A 55 34.210 3.084 -5.197 1.00 0.00 O ATOM 0 H GLY A 55 32.945 5.344 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.571 3.288 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.126 3.934 -7.467 1.00 0.00 H new ATOM 698 N SER A 56 32.703 4.733 -5.469 1.00 0.00 N ATOM 699 CA SER A 56 32.237 4.686 -4.089 1.00 0.00 C ATOM 700 C SER A 56 31.092 3.692 -3.935 1.00 0.00 C ATOM 701 O SER A 56 30.882 2.834 -4.791 1.00 0.00 O ATOM 702 CB SER A 56 31.782 6.074 -3.637 1.00 0.00 C ATOM 703 OG SER A 56 32.220 6.352 -2.318 1.00 0.00 O ATOM 0 H SER A 56 32.238 5.433 -6.047 1.00 0.00 H new ATOM 0 HA SER A 56 33.067 4.358 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.173 6.828 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.695 6.136 -3.683 1.00 0.00 H new ATOM 0 HG SER A 56 31.917 7.246 -2.054 1.00 0.00 H new ATOM 709 N MET A 57 30.355 3.818 -2.838 1.00 0.00 N ATOM 710 CA MET A 57 29.224 2.940 -2.566 1.00 0.00 C ATOM 711 C MET A 57 27.936 3.748 -2.474 1.00 0.00 C ATOM 712 O MET A 57 27.912 4.836 -1.897 1.00 0.00 O ATOM 713 CB MET A 57 29.431 2.140 -1.268 1.00 0.00 C ATOM 714 CG MET A 57 30.759 2.401 -0.566 1.00 0.00 C ATOM 715 SD MET A 57 30.712 3.859 0.492 1.00 0.00 S ATOM 716 CE MET A 57 32.056 3.501 1.621 1.00 0.00 C ATOM 0 H MET A 57 30.522 4.523 -2.120 1.00 0.00 H new ATOM 0 HA MET A 57 29.149 2.234 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.619 2.374 -0.579 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.359 1.077 -1.497 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.025 1.531 0.034 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.542 2.525 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.154 4.314 2.340 1.00 0.00 H new ATOM 0 HE2 MET A 57 31.848 2.571 2.151 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.985 3.399 1.060 1.00 0.00 H new ATOM 726 N VAL A 58 26.873 3.214 -3.056 1.00 0.00 N ATOM 727 CA VAL A 58 25.578 3.882 -3.051 1.00 0.00 C ATOM 728 C VAL A 58 24.452 2.861 -2.965 1.00 0.00 C ATOM 729 O VAL A 58 24.701 1.662 -2.837 1.00 0.00 O ATOM 730 CB VAL A 58 25.382 4.749 -4.310 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.976 6.134 -4.102 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.997 4.071 -5.522 1.00 0.00 C ATOM 0 H VAL A 58 26.881 2.316 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 58 25.553 4.531 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 58 24.313 4.863 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.828 6.732 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.483 6.618 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.043 6.045 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.850 4.696 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.064 3.925 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.519 3.104 -5.680 1.00 0.00 H new ATOM 742 N TRP A 59 23.215 3.334 -3.044 1.00 0.00 N ATOM 743 CA TRP A 59 22.067 2.448 -2.952 1.00 0.00 C ATOM 744 C TRP A 59 21.080 2.677 -4.089 1.00 0.00 C ATOM 745 O TRP A 59 20.523 3.764 -4.237 1.00 0.00 O ATOM 746 CB TRP A 59 21.363 2.645 -1.611 1.00 0.00 C ATOM 747 CG TRP A 59 22.044 1.942 -0.480 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.922 2.486 0.413 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.906 0.563 -0.122 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.336 1.529 1.308 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.726 0.341 0.998 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.170 -0.508 -0.639 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.832 -0.903 1.605 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.271 -1.743 -0.028 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.095 -1.930 1.084 1.00 0.00 C ATOM 0 H TRP A 59 22.984 4.319 -3.171 1.00 0.00 H new ATOM 0 HA TRP A 59 22.434 1.425 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.310 3.711 -1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.337 2.284 -1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.244 3.517 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.990 1.678 2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.534 -0.372 -1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.475 -1.054 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.704 -2.576 -0.416 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.151 -2.906 1.542 1.00 0.00 H new ATOM 766 N ASN A 60 20.830 1.621 -4.853 1.00 0.00 N ATOM 767 CA ASN A 60 19.867 1.671 -5.945 1.00 0.00 C ATOM 768 C ASN A 60 18.462 1.806 -5.373 1.00 0.00 C ATOM 769 O ASN A 60 18.282 1.624 -4.176 1.00 0.00 O ATOM 770 CB ASN A 60 19.978 0.403 -6.781 1.00 0.00 C ATOM 771 CG ASN A 60 20.977 0.526 -7.919 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.812 -0.355 -8.120 1.00 0.00 O ATOM 773 ND2 ASN A 60 20.897 1.618 -8.672 1.00 0.00 N ATOM 0 H ASN A 60 21.284 0.715 -4.735 1.00 0.00 H new ATOM 0 HA ASN A 60 20.075 2.531 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.271 -0.426 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.998 0.158 -7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.543 1.749 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.190 2.325 -8.472 1.00 0.00 H new ATOM 780 N PRO A 61 17.466 2.159 -6.218 1.00 0.00 N ATOM 781 CA PRO A 61 16.069 2.365 -5.838 1.00 0.00 C ATOM 782 C PRO A 61 15.684 1.769 -4.487 1.00 0.00 C ATOM 783 O PRO A 61 15.305 0.603 -4.391 1.00 0.00 O ATOM 784 CB PRO A 61 15.346 1.671 -6.987 1.00 0.00 C ATOM 785 CG PRO A 61 16.266 1.815 -8.173 1.00 0.00 C ATOM 786 CD PRO A 61 17.596 2.332 -7.660 1.00 0.00 C ATOM 0 HA PRO A 61 15.825 3.418 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.158 0.622 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.378 2.133 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.396 0.857 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.843 2.504 -8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.435 1.764 -8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.758 3.375 -7.931 1.00 0.00 H new ATOM 794 N GLU A 62 15.753 2.604 -3.449 1.00 0.00 N ATOM 795 CA GLU A 62 15.460 2.170 -2.085 1.00 0.00 C ATOM 796 C GLU A 62 13.993 2.376 -1.713 1.00 0.00 C ATOM 797 O GLU A 62 13.232 1.416 -1.632 1.00 0.00 O ATOM 798 CB GLU A 62 16.354 2.906 -1.068 1.00 0.00 C ATOM 799 CG GLU A 62 17.577 3.583 -1.673 1.00 0.00 C ATOM 800 CD GLU A 62 17.354 5.057 -1.946 1.00 0.00 C ATOM 801 OE1 GLU A 62 16.223 5.425 -2.327 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.310 5.843 -1.779 1.00 0.00 O ATOM 0 H GLU A 62 16.010 3.588 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 62 15.671 1.101 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.755 3.658 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.686 2.193 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.424 3.467 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.842 3.081 -2.604 1.00 0.00 H new ATOM 809 N ALA A 63 13.617 3.623 -1.437 1.00 0.00 N ATOM 810 CA ALA A 63 12.265 3.937 -0.979 1.00 0.00 C ATOM 811 C ALA A 63 11.294 4.188 -2.132 1.00 0.00 C ATOM 812 O ALA A 63 11.338 5.242 -2.767 1.00 0.00 O ATOM 813 CB ALA A 63 12.300 5.150 -0.063 1.00 0.00 C ATOM 0 H ALA A 63 14.230 4.433 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 63 11.900 3.065 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.290 5.380 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.932 4.937 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.704 6.005 -0.606 1.00 0.00 H new ATOM 819 N PRO A 64 10.348 3.258 -2.369 1.00 0.00 N ATOM 820 CA PRO A 64 9.326 3.407 -3.400 1.00 0.00 C ATOM 821 C PRO A 64 8.146 4.233 -2.895 1.00 0.00 C ATOM 822 O PRO A 64 8.289 5.023 -1.962 1.00 0.00 O ATOM 823 CB PRO A 64 8.882 1.960 -3.681 1.00 0.00 C ATOM 824 CG PRO A 64 9.683 1.092 -2.760 1.00 0.00 C ATOM 825 CD PRO A 64 10.183 1.986 -1.664 1.00 0.00 C ATOM 0 HA PRO A 64 9.699 3.925 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.814 1.838 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.062 1.693 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.071 0.286 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.513 0.626 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.471 2.063 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.121 1.628 -1.240 1.00 0.00 H new ATOM 833 N ILE A 65 6.974 4.022 -3.485 1.00 0.00 N ATOM 834 CA ILE A 65 5.774 4.733 -3.064 1.00 0.00 C ATOM 835 C ILE A 65 5.075 3.991 -1.932 1.00 0.00 C ATOM 836 O ILE A 65 5.350 2.819 -1.680 1.00 0.00 O ATOM 837 CB ILE A 65 4.772 4.916 -4.216 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.499 5.069 -5.554 1.00 0.00 C ATOM 839 CG2 ILE A 65 3.882 6.117 -3.950 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.489 6.213 -5.579 1.00 0.00 C ATOM 0 H ILE A 65 6.831 3.367 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 65 6.103 5.715 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 65 4.148 4.024 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.023 4.141 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.762 5.220 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.177 6.236 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.333 5.964 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.496 7.013 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.966 6.260 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.967 7.150 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.248 6.054 -4.813 1.00 0.00 H new ATOM 852 N CYS A 66 4.155 4.678 -1.269 1.00 0.00 N ATOM 853 CA CYS A 66 3.402 4.088 -0.172 1.00 0.00 C ATOM 854 C CYS A 66 2.197 4.952 0.173 1.00 0.00 C ATOM 855 O CYS A 66 2.317 6.167 0.330 1.00 0.00 O ATOM 856 CB CYS A 66 4.292 3.921 1.058 1.00 0.00 C ATOM 857 SG CYS A 66 4.883 2.218 1.323 1.00 0.00 S ATOM 0 H CYS A 66 3.912 5.647 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 66 3.051 3.106 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.153 4.582 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.739 4.244 1.940 1.00 0.00 H new ATOM 862 N GLU A 67 1.035 4.322 0.284 1.00 0.00 N ATOM 863 CA GLU A 67 -0.191 5.043 0.589 1.00 0.00 C ATOM 864 C GLU A 67 -1.214 4.132 1.257 1.00 0.00 C ATOM 865 O GLU A 67 -1.051 2.912 1.285 1.00 0.00 O ATOM 866 CB GLU A 67 -0.778 5.633 -0.694 1.00 0.00 C ATOM 867 CG GLU A 67 -1.048 7.127 -0.614 1.00 0.00 C ATOM 868 CD GLU A 67 -1.904 7.627 -1.761 1.00 0.00 C ATOM 869 OE1 GLU A 67 -1.354 8.284 -2.670 1.00 0.00 O ATOM 870 OE2 GLU A 67 -3.124 7.361 -1.750 1.00 0.00 O ATOM 0 H GLU A 67 0.917 3.316 0.168 1.00 0.00 H new ATOM 0 HA GLU A 67 0.050 5.848 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.092 5.441 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.709 5.117 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.544 7.353 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.100 7.664 -0.612 1.00 0.00 H new ATOM 877 N SER A 68 -2.268 4.735 1.793 1.00 0.00 N ATOM 878 CA SER A 68 -3.323 3.983 2.457 1.00 0.00 C ATOM 879 C SER A 68 -4.388 3.546 1.462 1.00 0.00 C ATOM 880 O SER A 68 -5.132 4.368 0.928 1.00 0.00 O ATOM 881 CB SER A 68 -3.959 4.825 3.565 1.00 0.00 C ATOM 882 OG SER A 68 -4.974 5.668 3.048 1.00 0.00 O ATOM 0 H SER A 68 -2.414 5.744 1.780 1.00 0.00 H new ATOM 0 HA SER A 68 -2.876 3.092 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.380 4.170 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.193 5.429 4.051 1.00 0.00 H new ATOM 0 HG SER A 68 -4.890 5.721 2.073 1.00 0.00 H new ATOM 888 N VAL A 69 -4.461 2.240 1.227 1.00 0.00 N ATOM 889 CA VAL A 69 -5.440 1.671 0.312 1.00 0.00 C ATOM 890 C VAL A 69 -6.820 2.279 0.545 1.00 0.00 C ATOM 891 O VAL A 69 -7.500 1.957 1.520 1.00 0.00 O ATOM 892 CB VAL A 69 -5.522 0.150 0.474 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.784 -0.202 1.925 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.251 -0.512 -0.019 1.00 0.00 C ATOM 0 H VAL A 69 -3.847 1.552 1.663 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.114 1.904 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.349 -0.222 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.841 -1.285 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.973 0.182 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.726 0.244 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.331 -1.592 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.104 -0.278 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.402 -0.143 0.556 1.00 0.00 H new ATOM 904 N LYS A 70 -7.211 3.175 -0.345 1.00 0.00 N ATOM 905 CA LYS A 70 -8.468 3.900 -0.203 1.00 0.00 C ATOM 906 C LYS A 70 -9.545 3.372 -1.157 1.00 0.00 C ATOM 907 O LYS A 70 -9.293 3.150 -2.341 1.00 0.00 O ATOM 908 CB LYS A 70 -8.192 5.401 -0.418 1.00 0.00 C ATOM 909 CG LYS A 70 -9.294 6.207 -1.073 1.00 0.00 C ATOM 910 CD LYS A 70 -9.284 7.669 -0.620 1.00 0.00 C ATOM 911 CE LYS A 70 -7.875 8.227 -0.447 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.066 8.091 -1.690 1.00 0.00 N ATOM 0 H LYS A 70 -6.676 3.421 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.863 3.746 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.972 5.849 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.292 5.498 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.180 6.163 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.260 5.761 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.822 8.274 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.822 7.755 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.933 9.278 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.376 7.705 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.335 7.365 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.685 7.812 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.613 9.001 -1.911 1.00 0.00 H new ATOM 926 N CYS A 71 -10.750 3.186 -0.617 1.00 0.00 N ATOM 927 CA CYS A 71 -11.893 2.734 -1.400 1.00 0.00 C ATOM 928 C CYS A 71 -12.633 3.930 -1.958 1.00 0.00 C ATOM 929 O CYS A 71 -12.827 4.930 -1.266 1.00 0.00 O ATOM 930 CB CYS A 71 -12.849 1.896 -0.544 1.00 0.00 C ATOM 931 SG CYS A 71 -12.051 0.984 0.820 1.00 0.00 S ATOM 0 H CYS A 71 -10.957 3.344 0.369 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.524 2.112 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.612 2.553 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.362 1.182 -1.189 1.00 0.00 H new ATOM 936 N GLN A 72 -13.024 3.841 -3.215 1.00 0.00 N ATOM 937 CA GLN A 72 -13.759 4.916 -3.834 1.00 0.00 C ATOM 938 C GLN A 72 -15.144 4.991 -3.225 1.00 0.00 C ATOM 939 O GLN A 72 -15.433 4.319 -2.235 1.00 0.00 O ATOM 940 CB GLN A 72 -13.838 4.712 -5.349 1.00 0.00 C ATOM 941 CG GLN A 72 -14.806 3.621 -5.777 1.00 0.00 C ATOM 942 CD GLN A 72 -14.214 2.232 -5.647 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.502 1.762 -6.534 1.00 0.00 O ATOM 944 NE2 GLN A 72 -14.504 1.569 -4.534 1.00 0.00 N ATOM 0 H GLN A 72 -12.844 3.040 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.241 5.858 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.135 5.651 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.844 4.469 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.710 3.685 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.103 3.790 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.099 1.998 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.132 0.631 -4.388 1.00 0.00 H new ATOM 953 N SER A 73 -16.003 5.784 -3.825 1.00 0.00 N ATOM 954 CA SER A 73 -17.342 5.946 -3.317 1.00 0.00 C ATOM 955 C SER A 73 -18.212 4.733 -3.622 1.00 0.00 C ATOM 956 O SER A 73 -18.536 4.468 -4.780 1.00 0.00 O ATOM 957 CB SER A 73 -17.973 7.197 -3.912 1.00 0.00 C ATOM 958 OG SER A 73 -19.388 7.119 -3.892 1.00 0.00 O ATOM 0 H SER A 73 -15.796 6.325 -4.664 1.00 0.00 H new ATOM 0 HA SER A 73 -17.277 6.046 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.647 8.073 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.628 7.328 -4.938 1.00 0.00 H new ATOM 0 HG SER A 73 -19.766 7.936 -4.279 1.00 0.00 H new ATOM 964 N PRO A 74 -18.594 3.972 -2.580 1.00 0.00 N ATOM 965 CA PRO A 74 -19.536 2.858 -2.690 1.00 0.00 C ATOM 966 C PRO A 74 -20.593 3.063 -3.688 1.00 0.00 C ATOM 967 O PRO A 74 -20.822 4.201 -4.098 1.00 0.00 O ATOM 968 CB PRO A 74 -20.269 3.019 -1.388 1.00 0.00 C ATOM 969 CG PRO A 74 -19.185 3.245 -0.458 1.00 0.00 C ATOM 970 CD PRO A 74 -18.310 4.251 -1.154 1.00 0.00 C ATOM 0 HA PRO A 74 -19.017 1.930 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.966 3.857 -1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -20.847 2.131 -1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.550 3.626 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.643 2.324 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -18.567 5.274 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.256 4.111 -0.913 1.00 0.00 H new ATOM 978 N PRO A 75 -21.523 2.125 -3.754 1.00 0.00 N ATOM 979 CA PRO A 75 -21.443 0.744 -3.244 1.00 0.00 C ATOM 980 C PRO A 75 -20.548 -0.166 -4.071 1.00 0.00 C ATOM 981 O PRO A 75 -19.823 0.277 -4.962 1.00 0.00 O ATOM 982 CB PRO A 75 -22.886 0.291 -3.491 1.00 0.00 C ATOM 983 CG PRO A 75 -23.154 0.946 -4.776 1.00 0.00 C ATOM 984 CD PRO A 75 -22.743 2.324 -4.450 1.00 0.00 C ATOM 0 HA PRO A 75 -21.049 0.703 -2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -22.976 -0.794 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -23.565 0.624 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -22.570 0.519 -5.592 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -24.203 0.881 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -22.605 2.929 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -23.484 2.833 -3.833 1.00 0.00 H new ATOM 992 N SER A 76 -20.723 -1.461 -3.836 1.00 0.00 N ATOM 993 CA SER A 76 -20.097 -2.506 -4.622 1.00 0.00 C ATOM 994 C SER A 76 -21.146 -3.583 -4.925 1.00 0.00 C ATOM 995 O SER A 76 -20.810 -4.735 -5.204 1.00 0.00 O ATOM 996 CB SER A 76 -18.912 -3.113 -3.869 1.00 0.00 C ATOM 997 OG SER A 76 -18.057 -3.822 -4.749 1.00 0.00 O ATOM 0 H SER A 76 -21.313 -1.815 -3.083 1.00 0.00 H new ATOM 0 HA SER A 76 -19.718 -2.085 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.351 -2.323 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.277 -3.785 -3.092 1.00 0.00 H new ATOM 0 HG SER A 76 -18.585 -4.454 -5.280 1.00 0.00 H new ATOM 1003 N ILE A 77 -22.427 -3.192 -4.836 1.00 0.00 N ATOM 1004 CA ILE A 77 -23.545 -4.104 -5.039 1.00 0.00 C ATOM 1005 C ILE A 77 -24.300 -3.775 -6.325 1.00 0.00 C ATOM 1006 O ILE A 77 -23.787 -3.076 -7.199 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.515 -4.054 -3.819 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.464 -2.841 -3.851 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.711 -4.017 -2.531 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.745 -3.066 -3.077 1.00 0.00 C ATOM 0 H ILE A 77 -22.708 -2.235 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.142 -5.113 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.131 -4.952 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -24.947 -1.973 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -25.709 -2.607 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.390 -3.982 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.090 -4.910 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.075 -3.132 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.369 -2.174 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.282 -3.915 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.508 -3.271 -2.033 1.00 0.00 H new ATOM 1022 N SER A 78 -25.541 -4.245 -6.408 1.00 0.00 N ATOM 1023 CA SER A 78 -26.390 -3.963 -7.554 1.00 0.00 C ATOM 1024 C SER A 78 -27.784 -3.552 -7.105 1.00 0.00 C ATOM 1025 O SER A 78 -28.253 -3.957 -6.041 1.00 0.00 O ATOM 1026 CB SER A 78 -26.477 -5.184 -8.466 1.00 0.00 C ATOM 1027 OG SER A 78 -27.183 -6.242 -7.839 1.00 0.00 O ATOM 0 H SER A 78 -25.979 -4.824 -5.692 1.00 0.00 H new ATOM 0 HA SER A 78 -25.945 -3.137 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 78 -26.975 -4.912 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 78 -25.473 -5.518 -8.728 1.00 0.00 H new ATOM 0 HG SER A 78 -28.136 -6.173 -8.056 1.00 0.00 H new ATOM 1033 N ASN A 79 -28.434 -2.734 -7.919 1.00 0.00 N ATOM 1034 CA ASN A 79 -29.783 -2.270 -7.623 1.00 0.00 C ATOM 1035 C ASN A 79 -29.857 -1.595 -6.257 1.00 0.00 C ATOM 1036 O ASN A 79 -30.885 -1.658 -5.584 1.00 0.00 O ATOM 1037 CB ASN A 79 -30.762 -3.445 -7.669 1.00 0.00 C ATOM 1038 CG ASN A 79 -30.470 -4.399 -8.803 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -29.631 -5.387 -8.538 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -30.999 -4.254 -9.905 1.00 0.00 N flip ATOM 0 H ASN A 79 -28.048 -2.376 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 79 -30.055 -1.534 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -30.719 -3.986 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -31.778 -3.063 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -31.640 -3.477 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.796 -4.911 -10.658 1.00 0.00 H new ATOM 1047 N GLY A 80 -28.773 -0.936 -5.855 1.00 0.00 N ATOM 1048 CA GLY A 80 -28.765 -0.262 -4.569 1.00 0.00 C ATOM 1049 C GLY A 80 -27.853 0.948 -4.520 1.00 0.00 C ATOM 1050 O GLY A 80 -27.507 1.519 -5.554 1.00 0.00 O ATOM 0 H GLY A 80 -27.909 -0.857 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -29.781 0.050 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -28.456 -0.970 -3.800 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.497 1.361 -3.304 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.656 2.534 -3.105 1.00 0.00 C ATOM 1056 C ARG A 81 -26.040 2.538 -1.711 1.00 0.00 C ATOM 1057 O ARG A 81 -26.153 1.562 -0.969 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.460 3.820 -3.339 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.952 3.689 -3.063 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.742 4.793 -3.746 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.385 5.685 -2.786 1.00 0.00 N ATOM 1062 CZ ARG A 81 -31.383 6.505 -3.097 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.916 7.286 -2.168 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.849 6.546 -4.338 1.00 0.00 N ATOM 0 H ARG A 81 -27.781 0.897 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.845 2.493 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.054 4.608 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.321 4.138 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.304 2.718 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.129 3.725 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.076 5.371 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.500 4.349 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.049 5.678 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.560 7.258 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -32.682 7.915 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.441 5.947 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -32.615 7.176 -4.574 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.375 3.635 -1.368 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.662 3.733 -0.103 1.00 0.00 C ATOM 1080 C HIS A 82 -25.107 4.935 0.718 1.00 0.00 C ATOM 1081 O HIS A 82 -25.811 5.817 0.226 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.182 3.901 -0.410 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.945 5.119 -1.241 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.932 6.392 -0.715 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.811 5.267 -2.579 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.752 7.263 -1.687 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.676 6.607 -2.827 1.00 0.00 N ATOM 0 H HIS A 82 -25.316 4.470 -1.951 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.869 2.831 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.620 3.976 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.813 3.020 -0.935 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -23.044 6.624 0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.811 4.476 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.679 8.334 -1.569 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.596 5.008 1.942 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.822 6.162 2.805 1.00 0.00 C ATOM 1098 C ASN A 83 -23.525 6.975 2.909 1.00 0.00 C ATOM 1099 O ASN A 83 -23.195 7.719 1.988 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.316 5.734 4.190 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.794 5.395 4.204 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.522 5.700 3.260 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.243 4.759 5.280 1.00 0.00 N ATOM 0 H ASN A 83 -24.020 4.278 2.361 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.602 6.785 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.745 4.867 4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.124 6.535 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -28.228 4.503 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.603 4.526 6.039 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.754 6.777 3.989 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.482 7.474 4.143 1.00 0.00 C ATOM 1112 C GLY A 84 -21.617 8.981 4.095 1.00 0.00 C ATOM 1113 O GLY A 84 -21.617 9.640 5.135 1.00 0.00 O ATOM 0 H GLY A 84 -22.990 6.147 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.030 7.186 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.801 7.152 3.355 1.00 0.00 H new ATOM 1117 N TYR A 85 -21.711 9.508 2.868 1.00 0.00 N ATOM 1118 CA TYR A 85 -21.858 10.919 2.564 1.00 0.00 C ATOM 1119 C TYR A 85 -20.520 11.548 2.196 1.00 0.00 C ATOM 1120 O TYR A 85 -20.413 12.768 2.066 1.00 0.00 O ATOM 1121 CB TYR A 85 -22.499 11.653 3.712 1.00 0.00 C ATOM 1122 CG TYR A 85 -23.748 10.986 4.259 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -24.283 11.371 5.482 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -24.375 9.954 3.568 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -25.412 10.756 5.992 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -25.500 9.335 4.071 1.00 0.00 C ATOM 1127 CZ TYR A 85 -26.016 9.740 5.283 1.00 0.00 C ATOM 1128 OH TYR A 85 -27.140 9.126 5.788 1.00 0.00 O ATOM 0 H TYR A 85 -21.684 8.928 2.029 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.515 11.005 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -21.771 11.751 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -22.753 12.662 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -23.810 12.163 6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -23.973 9.631 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -25.819 11.071 6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -25.974 8.537 3.518 1.00 0.00 H new ATOM 0 HH TYR A 85 -27.442 8.432 5.165 1.00 0.00 H new ATOM 1138 N GLU A 86 -19.513 10.708 1.973 1.00 0.00 N ATOM 1139 CA GLU A 86 -18.204 11.180 1.579 1.00 0.00 C ATOM 1140 C GLU A 86 -17.967 10.921 0.098 1.00 0.00 C ATOM 1141 O GLU A 86 -18.861 10.464 -0.614 1.00 0.00 O ATOM 1142 CB GLU A 86 -17.128 10.478 2.400 1.00 0.00 C ATOM 1143 CG GLU A 86 -16.724 11.242 3.645 1.00 0.00 C ATOM 1144 CD GLU A 86 -15.251 11.603 3.657 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -14.413 10.678 3.641 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -14.937 12.812 3.682 1.00 0.00 O ATOM 0 H GLU A 86 -19.587 9.694 2.061 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.155 12.254 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.489 9.491 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.248 10.325 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.318 12.153 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.954 10.642 4.525 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.751 11.192 -0.356 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.392 10.959 -1.748 1.00 0.00 C ATOM 1155 C ASP A 87 -15.393 9.815 -1.863 1.00 0.00 C ATOM 1156 O ASP A 87 -15.300 9.159 -2.901 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.811 12.229 -2.372 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.848 13.022 -3.143 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.768 13.048 -4.390 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.738 13.619 -2.501 1.00 0.00 O ATOM 0 H ASP A 87 -15.998 11.572 0.218 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.297 10.685 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.389 12.856 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.993 11.960 -3.040 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.659 9.569 -0.784 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.679 8.500 -0.754 1.00 0.00 C ATOM 1167 C PHE A 88 -13.574 7.913 0.651 1.00 0.00 C ATOM 1168 O PHE A 88 -14.193 8.417 1.587 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.325 9.018 -1.219 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.095 8.855 -2.693 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.338 7.802 -3.182 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.646 9.752 -3.593 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.129 7.651 -4.535 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -12.441 9.605 -4.951 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.682 8.553 -5.423 1.00 0.00 C ATOM 0 H PHE A 88 -14.728 10.101 0.084 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.001 7.710 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.241 10.074 -0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.538 8.493 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.906 7.091 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.243 10.575 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.533 6.828 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.874 10.312 -5.643 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.521 8.435 -6.484 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.842 6.809 0.784 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.713 6.133 2.070 1.00 0.00 C ATOM 1187 C TYR A 89 -11.339 5.486 2.208 1.00 0.00 C ATOM 1188 O TYR A 89 -10.547 5.495 1.271 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.808 5.070 2.211 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.211 5.599 2.007 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.676 5.937 0.740 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -16.077 5.748 3.083 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.968 6.390 0.553 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.367 6.215 2.903 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.805 6.535 1.637 1.00 0.00 C ATOM 1196 OH TYR A 89 -19.087 6.999 1.455 1.00 0.00 O ATOM 0 H TYR A 89 -12.332 6.366 0.020 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.824 6.874 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.622 4.274 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.740 4.623 3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.017 5.844 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.738 5.495 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.320 6.629 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -18.027 6.328 3.751 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.724 6.271 1.614 1.00 0.00 H new ATOM 1206 N THR A 90 -11.059 4.914 3.374 1.00 0.00 N ATOM 1207 CA THR A 90 -9.765 4.283 3.607 1.00 0.00 C ATOM 1208 C THR A 90 -9.883 3.045 4.489 1.00 0.00 C ATOM 1209 O THR A 90 -10.935 2.773 5.066 1.00 0.00 O ATOM 1210 CB THR A 90 -8.800 5.285 4.234 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.425 5.993 5.291 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.288 6.297 3.238 1.00 0.00 C ATOM 0 H THR A 90 -11.702 4.874 4.164 1.00 0.00 H new ATOM 0 HA THR A 90 -9.378 3.960 2.641 1.00 0.00 H new ATOM 0 HB THR A 90 -7.960 4.698 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.789 6.629 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.606 6.985 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.761 5.782 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.127 6.855 2.822 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.788 2.295 4.576 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.745 1.073 5.367 1.00 0.00 C ATOM 1222 C ASP A 91 -9.268 1.307 6.772 1.00 0.00 C ATOM 1223 O ASP A 91 -8.527 1.707 7.670 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.319 0.530 5.429 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.297 1.620 5.682 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.517 1.929 4.757 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.280 2.168 6.804 1.00 0.00 O ATOM 0 H ASP A 91 -7.912 2.517 4.103 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.388 0.340 4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.252 -0.218 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.084 0.026 4.492 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.548 1.035 6.951 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.163 1.182 8.253 1.00 0.00 C ATOM 1234 C GLY A 92 -12.403 2.056 8.232 1.00 0.00 C ATOM 1235 O GLY A 92 -12.734 2.690 9.233 1.00 0.00 O ATOM 0 H GLY A 92 -11.177 0.713 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.427 0.196 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.437 1.609 8.945 1.00 0.00 H new ATOM 1239 N SER A 93 -13.098 2.090 7.098 1.00 0.00 N ATOM 1240 CA SER A 93 -14.319 2.886 6.987 1.00 0.00 C ATOM 1241 C SER A 93 -15.547 1.987 6.891 1.00 0.00 C ATOM 1242 O SER A 93 -15.447 0.818 6.518 1.00 0.00 O ATOM 1243 CB SER A 93 -14.257 3.818 5.774 1.00 0.00 C ATOM 1244 OG SER A 93 -12.917 4.128 5.435 1.00 0.00 O ATOM 0 H SER A 93 -12.841 1.582 6.251 1.00 0.00 H new ATOM 0 HA SER A 93 -14.401 3.494 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.750 3.346 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.802 4.737 5.990 1.00 0.00 H new ATOM 0 HG SER A 93 -12.504 3.356 4.993 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.704 2.536 7.247 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.953 1.788 7.194 1.00 0.00 C ATOM 1252 C VAL A 94 -19.080 2.657 6.652 1.00 0.00 C ATOM 1253 O VAL A 94 -19.115 3.866 6.880 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.346 1.230 8.579 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.291 0.252 9.068 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.714 0.558 8.531 1.00 0.00 C ATOM 0 H VAL A 94 -16.802 3.497 7.575 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.793 0.946 6.521 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.406 2.064 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.579 -0.135 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.205 -0.574 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.331 0.762 9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.966 0.174 9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.466 1.284 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.690 -0.266 7.817 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.993 2.029 5.922 1.00 0.00 N ATOM 1267 CA VAL A 95 -21.110 2.743 5.318 1.00 0.00 C ATOM 1268 C VAL A 95 -22.352 1.864 5.258 1.00 0.00 C ATOM 1269 O VAL A 95 -22.262 0.660 5.021 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.758 3.208 3.893 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.733 4.258 3.397 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.338 3.740 3.840 1.00 0.00 C ATOM 0 H VAL A 95 -19.982 1.027 5.734 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.314 3.612 5.943 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.833 2.342 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.456 4.564 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.741 3.843 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.704 5.123 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.108 4.064 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.241 4.585 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.644 2.954 4.136 1.00 0.00 H new ATOM 1282 N THR A 96 -23.511 2.473 5.478 1.00 0.00 N ATOM 1283 CA THR A 96 -24.772 1.746 5.420 1.00 0.00 C ATOM 1284 C THR A 96 -25.437 1.958 4.068 1.00 0.00 C ATOM 1285 O THR A 96 -25.605 3.086 3.612 1.00 0.00 O ATOM 1286 CB THR A 96 -25.701 2.175 6.553 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.209 3.340 7.193 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.873 1.104 7.608 1.00 0.00 C ATOM 0 H THR A 96 -23.603 3.465 5.697 1.00 0.00 H new ATOM 0 HA THR A 96 -24.564 0.683 5.543 1.00 0.00 H new ATOM 0 HB THR A 96 -26.667 2.366 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.922 3.745 7.729 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.543 1.466 8.388 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.296 0.209 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.904 0.865 8.045 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.787 0.861 3.420 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.328 0.917 2.073 1.00 0.00 C ATOM 1298 C TYR A 97 -27.848 0.909 2.049 1.00 0.00 C ATOM 1299 O TYR A 97 -28.505 0.585 3.038 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.804 -0.263 1.260 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.360 -0.128 0.843 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.920 -0.646 -0.365 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.424 0.490 1.667 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.599 -0.551 -0.731 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.106 0.604 1.289 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.696 0.080 0.093 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.375 0.182 -0.281 1.00 0.00 O ATOM 0 H TYR A 97 -25.706 -0.080 3.805 1.00 0.00 H new ATOM 0 HA TYR A 97 -26.000 1.860 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.918 -1.175 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.420 -0.379 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -24.624 -1.130 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -23.738 0.887 2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -22.269 -0.973 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -21.398 1.105 1.933 1.00 0.00 H new ATOM 0 HH TYR A 97 -19.874 0.657 0.414 1.00 0.00 H new ATOM 1317 N SER A 98 -28.388 1.244 0.884 1.00 0.00 N ATOM 1318 CA SER A 98 -29.832 1.263 0.674 1.00 0.00 C ATOM 1319 C SER A 98 -30.163 1.015 -0.796 1.00 0.00 C ATOM 1320 O SER A 98 -29.429 1.446 -1.682 1.00 0.00 O ATOM 1321 CB SER A 98 -30.418 2.603 1.120 1.00 0.00 C ATOM 1322 OG SER A 98 -30.244 2.799 2.513 1.00 0.00 O ATOM 0 H SER A 98 -27.843 1.508 0.063 1.00 0.00 H new ATOM 0 HA SER A 98 -30.274 0.467 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.937 3.414 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.479 2.639 0.875 1.00 0.00 H new ATOM 0 HG SER A 98 -30.626 3.664 2.772 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.275 0.329 -1.052 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.675 0.014 -2.413 1.00 0.00 C ATOM 1330 C CYS A 99 -32.111 1.262 -3.171 1.00 0.00 C ATOM 1331 O CYS A 99 -32.535 2.249 -2.571 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.810 -1.001 -2.399 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.342 -2.610 -1.685 1.00 0.00 S ATOM 0 H CYS A 99 -31.911 -0.017 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.811 -0.408 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.646 -0.591 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.162 -1.154 -3.419 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.015 1.206 -4.497 1.00 0.00 N ATOM 1339 CA ASN A 100 -32.426 2.335 -5.333 1.00 0.00 C ATOM 1340 C ASN A 100 -33.902 2.227 -5.710 1.00 0.00 C ATOM 1341 O ASN A 100 -34.767 2.784 -5.035 1.00 0.00 O ATOM 1342 CB ASN A 100 -31.575 2.454 -6.601 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.016 1.141 -7.075 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.731 0.144 -7.182 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -29.732 1.137 -7.368 1.00 0.00 N ATOM 0 H ASN A 100 -31.660 0.401 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.273 3.236 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -32.181 2.890 -7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -30.752 3.143 -6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -29.287 0.281 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -29.182 1.990 -7.263 1.00 0.00 H new ATOM 1352 N SER A 101 -34.179 1.507 -6.793 1.00 0.00 N ATOM 1353 CA SER A 101 -35.548 1.333 -7.273 1.00 0.00 C ATOM 1354 C SER A 101 -36.497 0.962 -6.136 1.00 0.00 C ATOM 1355 O SER A 101 -37.695 1.237 -6.201 1.00 0.00 O ATOM 1356 CB SER A 101 -35.596 0.257 -8.359 1.00 0.00 C ATOM 1357 OG SER A 101 -35.587 0.836 -9.653 1.00 0.00 O ATOM 0 H SER A 101 -33.473 1.033 -7.356 1.00 0.00 H new ATOM 0 HA SER A 101 -35.875 2.285 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.742 -0.412 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.493 -0.349 -8.235 1.00 0.00 H new ATOM 0 HG SER A 101 -35.617 0.127 -10.329 1.00 0.00 H new ATOM 1363 N GLY A 102 -35.958 0.328 -5.100 1.00 0.00 N ATOM 1364 CA GLY A 102 -36.775 -0.066 -3.966 1.00 0.00 C ATOM 1365 C GLY A 102 -36.671 -1.547 -3.650 1.00 0.00 C ATOM 1366 O GLY A 102 -37.629 -2.157 -3.176 1.00 0.00 O ATOM 0 H GLY A 102 -34.971 0.080 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.474 0.509 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -37.816 0.185 -4.170 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.500 -2.122 -3.901 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.258 -3.529 -3.647 1.00 0.00 C ATOM 1372 C TYR A 103 -35.150 -3.810 -2.153 1.00 0.00 C ATOM 1373 O TYR A 103 -35.398 -2.933 -1.325 1.00 0.00 O ATOM 1374 CB TYR A 103 -33.959 -3.920 -4.341 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.142 -4.337 -5.781 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.371 -5.665 -6.117 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.090 -3.399 -6.804 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.539 -6.048 -7.434 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -34.258 -3.773 -8.123 1.00 0.00 C ATOM 1380 CZ TYR A 103 -34.484 -5.098 -8.433 1.00 0.00 C ATOM 1381 OH TYR A 103 -34.652 -5.474 -9.746 1.00 0.00 O ATOM 0 H TYR A 103 -34.697 -1.624 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.093 -4.113 -4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.268 -3.078 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.496 -4.739 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.419 -6.410 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -33.915 -2.361 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.712 -7.085 -7.680 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -34.213 -3.032 -8.907 1.00 0.00 H new ATOM 0 HH TYR A 103 -34.586 -4.685 -10.323 1.00 0.00 H new ATOM 1391 N SER A 104 -34.743 -5.029 -1.817 1.00 0.00 N ATOM 1392 CA SER A 104 -34.552 -5.418 -0.425 1.00 0.00 C ATOM 1393 C SER A 104 -33.094 -5.788 -0.177 1.00 0.00 C ATOM 1394 O SER A 104 -32.669 -6.909 -0.458 1.00 0.00 O ATOM 1395 CB SER A 104 -35.458 -6.593 -0.065 1.00 0.00 C ATOM 1396 OG SER A 104 -36.753 -6.429 -0.616 1.00 0.00 O ATOM 0 H SER A 104 -34.539 -5.766 -2.492 1.00 0.00 H new ATOM 0 HA SER A 104 -34.816 -4.570 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.018 -7.520 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.530 -6.682 1.019 1.00 0.00 H new ATOM 0 HG SER A 104 -37.312 -7.196 -0.372 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.330 -4.831 0.335 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.916 -5.028 0.588 1.00 0.00 C ATOM 1404 C LEU A 105 -30.651 -6.327 1.323 1.00 0.00 C ATOM 1405 O LEU A 105 -31.372 -6.703 2.248 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.344 -3.858 1.377 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.998 -3.357 0.861 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.152 -1.998 0.206 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.981 -3.308 1.983 1.00 0.00 C ATOM 0 H LEU A 105 -32.674 -3.904 0.584 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.419 -5.083 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.058 -3.035 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.233 -4.156 2.420 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.634 -4.056 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.182 -1.657 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.846 -2.074 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.539 -1.285 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.028 -2.948 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.333 -2.633 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.850 -4.307 2.399 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.591 -6.991 0.905 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.200 -8.264 1.471 1.00 0.00 C ATOM 1423 C ILE A 106 -27.756 -8.235 1.955 1.00 0.00 C ATOM 1424 O ILE A 106 -26.968 -7.400 1.527 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.334 -9.371 0.423 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.723 -9.347 -0.206 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.040 -10.717 1.046 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -31.815 -9.815 0.723 1.00 0.00 C ATOM 0 H ILE A 106 -28.976 -6.661 0.161 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.859 -8.460 2.317 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.606 -9.196 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.947 -8.332 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.720 -9.976 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.139 -11.497 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.024 -10.721 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -29.745 -10.905 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -32.775 -9.771 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.615 -10.841 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.845 -9.172 1.602 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.410 -9.175 2.823 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.040 -9.267 3.311 1.00 0.00 C ATOM 1442 C GLY A 107 -25.610 -8.068 4.129 1.00 0.00 C ATOM 1443 O GLY A 107 -24.424 -7.747 4.211 1.00 0.00 O ATOM 0 H GLY A 107 -28.048 -9.876 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.938 -10.167 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.366 -9.378 2.461 1.00 0.00 H new ATOM 1447 N ASN A 108 -26.582 -7.407 4.712 1.00 0.00 N ATOM 1448 CA ASN A 108 -26.342 -6.248 5.563 1.00 0.00 C ATOM 1449 C ASN A 108 -25.799 -5.063 4.785 1.00 0.00 C ATOM 1450 O ASN A 108 -24.789 -5.158 4.091 1.00 0.00 O ATOM 1451 CB ASN A 108 -25.370 -6.605 6.666 1.00 0.00 C ATOM 1452 CG ASN A 108 -25.973 -6.451 8.048 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -25.581 -5.570 8.815 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -26.934 -7.308 8.374 1.00 0.00 N ATOM 0 H ASN A 108 -27.567 -7.652 4.614 1.00 0.00 H new ATOM 0 HA ASN A 108 -27.304 -5.960 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -25.036 -7.634 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.487 -5.971 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -27.378 -7.252 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -27.228 -8.022 7.708 1.00 0.00 H new ATOM 1461 N SER A 109 -26.426 -3.929 5.013 1.00 0.00 N ATOM 1462 CA SER A 109 -26.044 -2.678 4.385 1.00 0.00 C ATOM 1463 C SER A 109 -24.653 -2.242 4.821 1.00 0.00 C ATOM 1464 O SER A 109 -23.973 -1.505 4.110 1.00 0.00 O ATOM 1465 CB SER A 109 -27.078 -1.607 4.739 1.00 0.00 C ATOM 1466 OG SER A 109 -26.643 -0.800 5.821 1.00 0.00 O ATOM 0 H SER A 109 -27.223 -3.846 5.645 1.00 0.00 H new ATOM 0 HA SER A 109 -26.016 -2.819 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.265 -0.979 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 109 -28.023 -2.084 4.997 1.00 0.00 H new ATOM 0 HG SER A 109 -26.407 -1.372 6.581 1.00 0.00 H new ATOM 1472 N GLY A 110 -24.234 -2.702 5.992 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.914 -2.357 6.485 1.00 0.00 C ATOM 1474 C GLY A 110 -21.819 -2.837 5.551 1.00 0.00 C ATOM 1475 O GLY A 110 -21.816 -3.992 5.126 1.00 0.00 O ATOM 0 H GLY A 110 -24.781 -3.305 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.842 -1.276 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.768 -2.797 7.472 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.902 -1.939 5.213 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.820 -2.253 4.285 1.00 0.00 C ATOM 1481 C VAL A 111 -18.492 -1.724 4.803 1.00 0.00 C ATOM 1482 O VAL A 111 -18.365 -0.540 5.094 1.00 0.00 O ATOM 1483 CB VAL A 111 -20.115 -1.655 2.905 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -19.153 -2.151 1.850 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.544 -1.970 2.513 1.00 0.00 C ATOM 0 H VAL A 111 -20.885 -0.983 5.569 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.751 -3.337 4.198 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.982 -0.575 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.402 -1.700 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -18.135 -1.876 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.227 -3.236 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.754 -1.545 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.682 -3.051 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -22.226 -1.541 3.248 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.514 -2.613 4.942 1.00 0.00 N ATOM 1496 CA LEU A 112 -16.210 -2.233 5.472 1.00 0.00 C ATOM 1497 C LEU A 112 -15.264 -1.774 4.371 1.00 0.00 C ATOM 1498 O LEU A 112 -15.040 -2.485 3.391 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.584 -3.409 6.230 1.00 0.00 C ATOM 1500 CG LEU A 112 -14.108 -3.232 6.606 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.532 -4.538 7.132 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.951 -2.123 7.636 1.00 0.00 C ATOM 0 H LEU A 112 -17.599 -3.599 4.696 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.366 -1.397 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.157 -3.579 7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.682 -4.307 5.620 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.554 -2.950 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.484 -4.394 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.087 -4.851 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.612 -5.307 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.897 -2.011 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.326 -1.187 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.517 -2.376 8.532 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.680 -0.596 4.561 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.696 -0.075 3.626 1.00 0.00 C ATOM 1516 C CYS A 113 -12.311 -0.540 4.036 1.00 0.00 C ATOM 1517 O CYS A 113 -11.704 0.022 4.951 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.730 1.450 3.588 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.461 2.196 2.516 1.00 0.00 S ATOM 0 H CYS A 113 -14.873 0.015 5.355 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.935 -0.450 2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.714 1.772 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.604 1.831 4.601 1.00 0.00 H new ATOM 1524 N SER A 114 -11.843 -1.601 3.391 1.00 0.00 N ATOM 1525 CA SER A 114 -10.537 -2.170 3.692 1.00 0.00 C ATOM 1526 C SER A 114 -9.795 -2.520 2.410 1.00 0.00 C ATOM 1527 O SER A 114 -10.404 -2.668 1.351 1.00 0.00 O ATOM 1528 CB SER A 114 -10.691 -3.419 4.563 1.00 0.00 C ATOM 1529 OG SER A 114 -11.057 -4.543 3.782 1.00 0.00 O ATOM 0 H SER A 114 -12.352 -2.087 2.652 1.00 0.00 H new ATOM 0 HA SER A 114 -9.957 -1.425 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.754 -3.622 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.447 -3.242 5.328 1.00 0.00 H new ATOM 0 HG SER A 114 -11.132 -5.332 4.359 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.478 -2.652 2.510 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.677 -2.965 1.340 1.00 0.00 C ATOM 1537 C GLY A 115 -7.981 -2.035 0.184 1.00 0.00 C ATOM 1538 O GLY A 115 -7.875 -2.417 -0.981 1.00 0.00 O ATOM 0 H GLY A 115 -7.951 -2.548 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.619 -2.895 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.864 -3.995 1.037 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.390 -0.816 0.517 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.722 0.165 -0.497 1.00 0.00 C ATOM 1544 C GLY A 116 -9.975 -0.198 -1.270 1.00 0.00 C ATOM 1545 O GLY A 116 -10.248 0.373 -2.326 1.00 0.00 O ATOM 0 H GLY A 116 -8.498 -0.489 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.860 1.138 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.887 0.262 -1.191 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.738 -1.150 -0.743 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.980 -1.571 -1.369 1.00 0.00 C ATOM 1551 C GLU A 117 -13.026 -1.860 -0.304 1.00 0.00 C ATOM 1552 O GLU A 117 -12.744 -1.783 0.892 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.754 -2.814 -2.231 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.749 -2.601 -3.350 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.879 -3.630 -4.456 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.347 -3.386 -5.559 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.511 -4.681 -4.218 1.00 0.00 O ATOM 0 H GLU A 117 -10.514 -1.645 0.120 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.336 -0.765 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.410 -3.630 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.705 -3.125 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.884 -1.604 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.740 -2.640 -2.939 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.229 -2.196 -0.738 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.311 -2.486 0.189 1.00 0.00 C ATOM 1566 C TRP A 118 -15.473 -3.984 0.392 1.00 0.00 C ATOM 1567 O TRP A 118 -15.591 -4.747 -0.566 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.611 -1.863 -0.307 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.582 -0.382 -0.256 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -16.363 0.463 -1.300 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.723 0.435 0.907 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -16.380 1.754 -0.865 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -16.576 1.764 0.490 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.953 0.175 2.262 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.696 2.832 1.361 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -17.053 1.243 3.134 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.922 2.559 2.678 1.00 0.00 C ATOM 0 H TRP A 118 -14.481 -2.275 -1.723 1.00 0.00 H new ATOM 0 HA TRP A 118 -15.061 -2.047 1.155 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.798 -2.185 -1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.440 -2.229 0.298 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -16.200 0.156 -2.322 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -16.265 2.579 -1.453 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.050 -0.839 2.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.613 3.850 1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.235 1.059 4.183 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -17.001 3.374 3.382 1.00 0.00 H new ATOM 1588 N SER A 119 -15.452 -4.395 1.653 1.00 0.00 N ATOM 1589 CA SER A 119 -15.570 -5.802 2.004 1.00 0.00 C ATOM 1590 C SER A 119 -16.953 -6.119 2.556 1.00 0.00 C ATOM 1591 O SER A 119 -17.606 -5.269 3.163 1.00 0.00 O ATOM 1592 CB SER A 119 -14.501 -6.182 3.030 1.00 0.00 C ATOM 1593 OG SER A 119 -13.759 -5.046 3.439 1.00 0.00 O ATOM 0 H SER A 119 -15.354 -3.770 2.453 1.00 0.00 H new ATOM 0 HA SER A 119 -15.423 -6.387 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.973 -6.643 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.828 -6.924 2.601 1.00 0.00 H new ATOM 0 HG SER A 119 -12.804 -5.267 3.453 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.388 -7.353 2.342 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.691 -7.806 2.809 1.00 0.00 C ATOM 1601 C ASP A 120 -19.821 -6.888 2.341 1.00 0.00 C ATOM 1602 O ASP A 120 -20.741 -6.599 3.106 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.701 -7.895 4.334 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.356 -9.167 4.836 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -18.753 -9.848 5.691 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.474 -9.480 4.375 1.00 0.00 O ATOM 0 H ASP A 120 -16.852 -8.064 1.844 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.864 -8.793 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.677 -7.847 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.229 -7.033 4.742 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.796 -6.438 1.071 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.862 -5.597 0.524 1.00 0.00 C ATOM 1613 C PRO A 121 -22.183 -6.352 0.471 1.00 0.00 C ATOM 1614 O PRO A 121 -22.197 -7.578 0.365 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.376 -5.261 -0.888 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.421 -6.352 -1.229 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.764 -6.742 0.065 1.00 0.00 C ATOM 0 HA PRO A 121 -21.047 -4.711 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.205 -5.226 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.890 -4.286 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.940 -7.200 -1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.683 -6.012 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.490 -7.797 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.851 -6.173 0.240 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.313 -5.641 0.567 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.624 -6.273 0.547 1.00 0.00 C ATOM 1627 C PRO A 122 -25.094 -6.618 -0.850 1.00 0.00 C ATOM 1628 O PRO A 122 -24.366 -6.482 -1.830 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.546 -5.209 1.143 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.871 -3.901 0.900 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.401 -4.175 0.706 1.00 0.00 C ATOM 0 HA PRO A 122 -24.611 -7.218 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.529 -5.235 0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.699 -5.377 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.289 -3.412 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.027 -3.227 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.016 -3.669 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.816 -3.821 1.555 1.00 0.00 H new ATOM 1639 N THR A 123 -26.328 -7.068 -0.914 1.00 0.00 N ATOM 1640 CA THR A 123 -26.995 -7.324 -2.170 1.00 0.00 C ATOM 1641 C THR A 123 -28.247 -6.500 -2.190 1.00 0.00 C ATOM 1642 O THR A 123 -28.358 -5.520 -1.456 1.00 0.00 O ATOM 1643 CB THR A 123 -27.308 -8.812 -2.354 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.704 -9.580 -1.328 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.832 -9.365 -3.680 1.00 0.00 C ATOM 0 H THR A 123 -26.899 -7.267 -0.092 1.00 0.00 H new ATOM 0 HA THR A 123 -26.344 -7.048 -2.999 1.00 0.00 H new ATOM 0 HB THR A 123 -28.395 -8.886 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.916 -10.528 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.086 -10.423 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.316 -8.825 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.751 -9.245 -3.757 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.170 -6.846 -3.042 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.348 -6.040 -3.173 1.00 0.00 C ATOM 1655 C CYS A 124 -31.375 -6.747 -4.041 1.00 0.00 C ATOM 1656 O CYS A 124 -31.440 -6.547 -5.254 1.00 0.00 O ATOM 1657 CB CYS A 124 -29.916 -4.690 -3.734 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.986 -3.306 -3.266 1.00 0.00 S ATOM 0 H CYS A 124 -29.131 -7.667 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.835 -5.879 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -28.901 -4.478 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -29.883 -4.756 -4.822 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.130 -7.630 -3.396 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.102 -8.464 -4.071 1.00 0.00 C ATOM 1665 C GLN A 125 -34.523 -8.141 -3.630 1.00 0.00 C ATOM 1666 O GLN A 125 -34.740 -7.428 -2.650 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.788 -9.930 -3.768 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.014 -10.627 -4.872 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.684 -12.067 -4.532 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -32.490 -12.971 -4.755 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.494 -12.286 -3.984 1.00 0.00 N ATOM 0 H GLN A 125 -32.081 -7.783 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.038 -8.273 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.215 -9.986 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.722 -10.465 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.597 -10.599 -5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.090 -10.082 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -29.858 -11.506 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -30.216 -13.234 -3.730 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.484 -8.694 -4.357 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.895 -8.494 -4.056 1.00 0.00 C ATOM 1682 C ILE A 126 -37.403 -9.571 -3.099 1.00 0.00 C ATOM 1683 O ILE A 126 -37.999 -10.561 -3.523 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.742 -8.510 -5.346 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.314 -7.373 -6.270 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.227 -8.400 -5.023 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.605 -5.999 -5.711 1.00 0.00 C ATOM 0 H ILE A 126 -35.310 -9.290 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.995 -7.519 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.575 -9.460 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.245 -7.458 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -37.823 -7.482 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.803 -8.413 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.526 -9.241 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.416 -7.467 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.275 -5.240 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.677 -5.895 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.074 -5.870 -4.768 1.00 0.00 H new TER 1699 ILE A 126