USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1091 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 95 GLN : amide:sc= -5.26! C(o=-4.4!,f=-5.2!) USER MOD Set 1.2: A 125 THR OG1 : rot 79:sc= 0.846 USER MOD Set 2.1: A 85 GLN : amide:sc= -3.7 K(o=-3.9,f=-4.8!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ -159:sc= -0.218 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= -1.06! C(o=-1!,f=-8.4!) USER MOD Set 3.2: A 90 TYR OH : rot 64:sc= 0.0207 USER MOD Set 4.1: A 11 TYR OH : rot 59:sc= -2.56! USER MOD Set 4.2: A 45 THR OG1 : rot -170:sc= 2.19 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0412 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0635 K(o=-0.063,f=-2.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.15) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -3.91! C(o=-4.4!,f=-3.9!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 32:sc= -1.59 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.082) USER MOD Single : A 43 SER OG : rot -148:sc= 0.875 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00104 USER MOD Single : A 48 HIS : no HD1:sc= 0.231 K(o=0.23,f=-1.5!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 59 THR OG1 : rot 48:sc= 0.801 USER MOD Single : A 60 THR OG1 : rot 24:sc= 0.498! USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 CYS SG : rot 110:sc= -1.87 USER MOD Single : A 67 SER OG : rot 155:sc= 0.106 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0.117 K(o=0.12,f=-1.3!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -8:sc= 0.428 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -62:sc= 0.531 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 97 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.15) USER MOD Single : A 102 THR OG1 : rot 51:sc= 0.0433 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 126 MET CE :methyl 180:sc= -3.05 (180deg=-3.05) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.0938 K(o=-0.094,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.521 -9.494 17.052 1.00 0.00 N ATOM 2 CA GLY A 1 5.471 -9.301 15.921 1.00 0.00 C ATOM 3 C GLY A 1 6.416 -8.137 16.149 1.00 0.00 C ATOM 4 O GLY A 1 6.707 -7.787 17.293 1.00 0.00 O ATOM 0 H1 GLY A 1 4.428 -10.509 17.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.880 -9.001 17.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.591 -9.107 16.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.051 -10.213 15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.908 -9.134 15.003 1.00 0.00 H new ATOM 10 N PRO A 2 6.917 -7.511 15.070 1.00 0.00 N ATOM 11 CA PRO A 2 7.839 -6.376 15.172 1.00 0.00 C ATOM 12 C PRO A 2 7.153 -5.120 15.699 1.00 0.00 C ATOM 13 O PRO A 2 5.976 -4.883 15.429 1.00 0.00 O ATOM 14 CB PRO A 2 8.306 -6.165 13.730 1.00 0.00 C ATOM 15 CG PRO A 2 7.204 -6.711 12.892 1.00 0.00 C ATOM 16 CD PRO A 2 6.625 -7.862 13.667 1.00 0.00 C ATOM 0 HA PRO A 2 8.651 -6.573 15.872 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.477 -5.109 13.520 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.245 -6.685 13.538 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.447 -5.951 12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.578 -7.042 11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.554 -7.965 13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.086 -8.809 13.385 1.00 0.00 H new ATOM 24 N TYR A 3 7.899 -4.317 16.452 1.00 0.00 N ATOM 25 CA TYR A 3 7.362 -3.085 17.017 1.00 0.00 C ATOM 26 C TYR A 3 8.441 -2.011 17.104 1.00 0.00 C ATOM 27 O TYR A 3 9.435 -2.171 17.812 1.00 0.00 O ATOM 28 CB TYR A 3 6.777 -3.349 18.406 1.00 0.00 C ATOM 29 CG TYR A 3 5.613 -2.448 18.754 1.00 0.00 C ATOM 30 CD1 TYR A 3 4.331 -2.732 18.300 1.00 0.00 C ATOM 31 CD2 TYR A 3 5.797 -1.315 19.536 1.00 0.00 C ATOM 32 CE1 TYR A 3 3.265 -1.911 18.617 1.00 0.00 C ATOM 33 CE2 TYR A 3 4.736 -0.490 19.857 1.00 0.00 C ATOM 34 CZ TYR A 3 3.472 -0.792 19.396 1.00 0.00 C ATOM 35 OH TYR A 3 2.414 0.028 19.712 1.00 0.00 O ATOM 0 H TYR A 3 8.876 -4.498 16.684 1.00 0.00 H new ATOM 0 HA TYR A 3 6.571 -2.728 16.358 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.451 -4.388 18.462 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.561 -3.220 19.152 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.165 -3.608 17.690 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.785 -1.075 19.899 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.274 -2.145 18.256 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.896 0.387 20.466 1.00 0.00 H new ATOM 0 HH TYR A 3 2.730 0.771 20.268 1.00 0.00 H new ATOM 45 N GLY A 4 8.240 -0.916 16.378 1.00 0.00 N ATOM 46 CA GLY A 4 9.204 0.169 16.387 1.00 0.00 C ATOM 47 C GLY A 4 8.545 1.529 16.487 1.00 0.00 C ATOM 48 O GLY A 4 7.537 1.690 17.176 1.00 0.00 O ATOM 0 H GLY A 4 7.426 -0.761 15.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.887 0.037 17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.804 0.125 15.478 1.00 0.00 H new ATOM 52 N HIS A 5 9.115 2.513 15.798 1.00 0.00 N ATOM 53 CA HIS A 5 8.577 3.868 15.813 1.00 0.00 C ATOM 54 C HIS A 5 7.929 4.209 14.473 1.00 0.00 C ATOM 55 O HIS A 5 6.811 4.723 14.426 1.00 0.00 O ATOM 56 CB HIS A 5 9.684 4.876 16.133 1.00 0.00 C ATOM 57 CG HIS A 5 9.549 5.502 17.486 1.00 0.00 C ATOM 58 ND1 HIS A 5 10.227 5.048 18.598 1.00 0.00 N ATOM 59 CD2 HIS A 5 8.808 6.556 17.906 1.00 0.00 C ATOM 60 CE1 HIS A 5 9.909 5.794 19.640 1.00 0.00 C ATOM 61 NE2 HIS A 5 9.050 6.715 19.247 1.00 0.00 N ATOM 0 H HIS A 5 9.949 2.397 15.223 1.00 0.00 H new ATOM 0 HA HIS A 5 7.814 3.922 16.589 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.650 4.375 16.068 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.680 5.661 15.376 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.149 7.159 17.298 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.288 5.671 20.644 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.633 7.430 19.844 1.00 0.00 H new ATOM 70 N GLN A 6 8.638 3.919 13.389 1.00 0.00 N ATOM 71 CA GLN A 6 8.134 4.194 12.048 1.00 0.00 C ATOM 72 C GLN A 6 7.885 2.898 11.283 1.00 0.00 C ATOM 73 O GLN A 6 8.562 1.894 11.509 1.00 0.00 O ATOM 74 CB GLN A 6 9.122 5.072 11.279 1.00 0.00 C ATOM 75 CG GLN A 6 10.557 4.572 11.342 1.00 0.00 C ATOM 76 CD GLN A 6 11.493 5.376 10.462 1.00 0.00 C ATOM 77 OE1 GLN A 6 11.067 6.285 9.748 1.00 0.00 O ATOM 78 NE2 GLN A 6 12.779 5.045 10.508 1.00 0.00 N ATOM 0 H GLN A 6 9.565 3.493 13.412 1.00 0.00 H new ATOM 0 HA GLN A 6 7.187 4.725 12.145 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.811 5.127 10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.081 6.086 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.908 4.614 12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.587 3.526 11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.089 4.285 11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.457 5.551 9.938 1.00 0.00 H new ATOM 87 N SER A 7 6.912 2.927 10.380 1.00 0.00 N ATOM 88 CA SER A 7 6.575 1.753 9.582 1.00 0.00 C ATOM 89 C SER A 7 5.612 2.119 8.456 1.00 0.00 C ATOM 90 O SER A 7 5.221 3.278 8.312 1.00 0.00 O ATOM 91 CB SER A 7 5.955 0.671 10.466 1.00 0.00 C ATOM 92 OG SER A 7 4.704 1.088 10.983 1.00 0.00 O ATOM 0 H SER A 7 6.343 3.750 10.182 1.00 0.00 H new ATOM 0 HA SER A 7 7.494 1.369 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.826 -0.245 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.632 0.437 11.288 1.00 0.00 H new ATOM 0 HG SER A 7 4.328 0.377 11.543 1.00 0.00 H new ATOM 98 N GLY A 8 5.233 1.124 7.660 1.00 0.00 N ATOM 99 CA GLY A 8 4.320 1.362 6.558 1.00 0.00 C ATOM 100 C GLY A 8 4.212 0.172 5.625 1.00 0.00 C ATOM 101 O GLY A 8 4.216 0.330 4.404 1.00 0.00 O ATOM 0 H GLY A 8 5.542 0.157 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.333 1.600 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.656 2.232 5.994 1.00 0.00 H new ATOM 105 N ALA A 9 4.115 -1.022 6.200 1.00 0.00 N ATOM 106 CA ALA A 9 4.005 -2.243 5.411 1.00 0.00 C ATOM 107 C ALA A 9 2.821 -3.088 5.869 1.00 0.00 C ATOM 108 O ALA A 9 2.371 -2.978 7.009 1.00 0.00 O ATOM 109 CB ALA A 9 5.295 -3.046 5.499 1.00 0.00 C ATOM 0 H ALA A 9 4.110 -1.170 7.209 1.00 0.00 H new ATOM 0 HA ALA A 9 3.836 -1.961 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.199 -3.955 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.122 -2.448 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.489 -3.310 6.539 1.00 0.00 H new ATOM 115 N VAL A 10 2.319 -3.931 4.973 1.00 0.00 N ATOM 116 CA VAL A 10 1.187 -4.795 5.285 1.00 0.00 C ATOM 117 C VAL A 10 1.636 -6.236 5.506 1.00 0.00 C ATOM 118 O VAL A 10 2.167 -6.876 4.598 1.00 0.00 O ATOM 119 CB VAL A 10 0.134 -4.767 4.159 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.122 -5.513 4.582 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.192 -3.334 3.767 1.00 0.00 C ATOM 0 H VAL A 10 2.679 -4.034 4.024 1.00 0.00 H new ATOM 0 HA VAL A 10 0.742 -4.412 6.203 1.00 0.00 H new ATOM 0 HB VAL A 10 0.549 -5.271 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.853 -5.482 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.871 -6.550 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.543 -5.042 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.937 -3.335 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.586 -2.801 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.713 -2.838 3.416 1.00 0.00 H new ATOM 131 N TYR A 11 1.418 -6.743 6.716 1.00 0.00 N ATOM 132 CA TYR A 11 1.800 -8.111 7.049 1.00 0.00 C ATOM 133 C TYR A 11 0.565 -9.003 7.141 1.00 0.00 C ATOM 134 O TYR A 11 -0.294 -8.802 7.999 1.00 0.00 O ATOM 135 CB TYR A 11 2.560 -8.119 8.381 1.00 0.00 C ATOM 136 CG TYR A 11 2.921 -9.499 8.891 1.00 0.00 C ATOM 137 CD1 TYR A 11 1.945 -10.363 9.373 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.242 -9.931 8.904 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.274 -11.617 9.850 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.577 -11.185 9.378 1.00 0.00 C ATOM 141 CZ TYR A 11 3.590 -12.024 9.850 1.00 0.00 C ATOM 142 OH TYR A 11 3.919 -13.272 10.326 1.00 0.00 O ATOM 0 H TYR A 11 0.980 -6.228 7.480 1.00 0.00 H new ATOM 0 HA TYR A 11 2.446 -8.502 6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.475 -7.537 8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.954 -7.615 9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.912 -10.049 9.375 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.019 -9.276 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.503 -12.275 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.608 -11.507 9.379 1.00 0.00 H new ATOM 0 HH TYR A 11 3.442 -13.955 9.810 1.00 0.00 H new ATOM 152 N VAL A 12 0.485 -9.994 6.257 1.00 0.00 N ATOM 153 CA VAL A 12 -0.645 -10.917 6.249 1.00 0.00 C ATOM 154 C VAL A 12 -0.198 -12.362 6.452 1.00 0.00 C ATOM 155 O VAL A 12 0.490 -12.934 5.606 1.00 0.00 O ATOM 156 CB VAL A 12 -1.462 -10.805 4.948 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.742 -11.620 5.055 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.771 -9.346 4.645 1.00 0.00 C ATOM 0 H VAL A 12 1.187 -10.178 5.540 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.282 -10.631 7.086 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.871 -11.208 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.309 -11.531 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.493 -12.667 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.343 -11.247 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.349 -9.280 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.347 -8.918 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.839 -8.793 4.529 1.00 0.00 H new ATOM 168 N GLY A 13 -0.603 -12.951 7.574 1.00 0.00 N ATOM 169 CA GLY A 13 -0.249 -14.331 7.870 1.00 0.00 C ATOM 170 C GLY A 13 1.222 -14.637 7.643 1.00 0.00 C ATOM 171 O GLY A 13 2.095 -13.986 8.217 1.00 0.00 O ATOM 0 H GLY A 13 -1.173 -12.496 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.502 -14.549 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.851 -14.994 7.249 1.00 0.00 H new ATOM 175 N ASN A 14 1.493 -15.638 6.806 1.00 0.00 N ATOM 176 CA ASN A 14 2.864 -16.040 6.505 1.00 0.00 C ATOM 177 C ASN A 14 3.422 -15.280 5.302 1.00 0.00 C ATOM 178 O ASN A 14 4.438 -15.671 4.730 1.00 0.00 O ATOM 179 CB ASN A 14 2.925 -17.546 6.240 1.00 0.00 C ATOM 180 CG ASN A 14 2.310 -18.356 7.364 1.00 0.00 C ATOM 181 OD1 ASN A 14 2.578 -18.112 8.541 1.00 0.00 O ATOM 182 ND2 ASN A 14 1.478 -19.328 7.006 1.00 0.00 N ATOM 0 H ASN A 14 0.779 -16.185 6.325 1.00 0.00 H new ATOM 0 HA ASN A 14 3.478 -15.797 7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.405 -17.770 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.964 -17.847 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.033 -19.907 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.284 -19.496 6.019 1.00 0.00 H new ATOM 189 N TYR A 15 2.758 -14.190 4.931 1.00 0.00 N ATOM 190 CA TYR A 15 3.191 -13.366 3.807 1.00 0.00 C ATOM 191 C TYR A 15 3.235 -11.901 4.226 1.00 0.00 C ATOM 192 O TYR A 15 2.444 -11.465 5.063 1.00 0.00 O ATOM 193 CB TYR A 15 2.234 -13.520 2.623 1.00 0.00 C ATOM 194 CG TYR A 15 2.415 -14.792 1.823 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.640 -15.447 1.762 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.347 -15.339 1.128 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.789 -16.607 1.030 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.488 -16.499 0.395 1.00 0.00 C ATOM 199 CZ TYR A 15 2.711 -17.130 0.350 1.00 0.00 C ATOM 200 OH TYR A 15 2.857 -18.290 -0.377 1.00 0.00 O ATOM 0 H TYR A 15 1.914 -13.855 5.395 1.00 0.00 H new ATOM 0 HA TYR A 15 4.185 -13.695 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.210 -13.483 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.362 -12.667 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.487 -15.042 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.386 -14.847 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.747 -17.103 0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.645 -16.910 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 15 2.002 -18.524 -0.795 1.00 0.00 H new ATOM 210 N LYS A 16 4.146 -11.141 3.639 1.00 0.00 N ATOM 211 CA LYS A 16 4.268 -9.725 3.956 1.00 0.00 C ATOM 212 C LYS A 16 4.516 -8.913 2.692 1.00 0.00 C ATOM 213 O LYS A 16 5.555 -9.060 2.047 1.00 0.00 O ATOM 214 CB LYS A 16 5.402 -9.496 4.955 1.00 0.00 C ATOM 215 CG LYS A 16 5.340 -8.143 5.645 1.00 0.00 C ATOM 216 CD LYS A 16 6.098 -7.084 4.861 1.00 0.00 C ATOM 217 CE LYS A 16 7.512 -6.908 5.388 1.00 0.00 C ATOM 218 NZ LYS A 16 7.603 -5.798 6.376 1.00 0.00 N ATOM 0 H LYS A 16 4.810 -11.479 2.942 1.00 0.00 H new ATOM 0 HA LYS A 16 3.332 -9.395 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.374 -10.281 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.356 -9.587 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.300 -7.838 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.759 -8.225 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.133 -7.364 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.565 -6.135 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.844 -7.836 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.187 -6.709 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.584 -5.711 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.311 -4.907 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.978 -5.999 7.183 1.00 0.00 H new ATOM 232 N VAL A 17 3.562 -8.057 2.336 1.00 0.00 N ATOM 233 CA VAL A 17 3.705 -7.235 1.142 1.00 0.00 C ATOM 234 C VAL A 17 4.144 -5.818 1.507 1.00 0.00 C ATOM 235 O VAL A 17 3.475 -5.123 2.273 1.00 0.00 O ATOM 236 CB VAL A 17 2.398 -7.202 0.297 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.539 -8.427 0.577 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.592 -5.931 0.536 1.00 0.00 C ATOM 0 H VAL A 17 2.693 -7.916 2.851 1.00 0.00 H new ATOM 0 HA VAL A 17 4.480 -7.693 0.527 1.00 0.00 H new ATOM 0 HB VAL A 17 2.699 -7.212 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.632 -8.381 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.097 -9.328 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.272 -8.451 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.689 -5.952 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.317 -5.867 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.193 -5.063 0.265 1.00 0.00 H new ATOM 248 N VAL A 18 5.278 -5.402 0.956 1.00 0.00 N ATOM 249 CA VAL A 18 5.817 -4.074 1.218 1.00 0.00 C ATOM 250 C VAL A 18 6.311 -3.415 -0.067 1.00 0.00 C ATOM 251 O VAL A 18 6.564 -4.091 -1.065 1.00 0.00 O ATOM 252 CB VAL A 18 6.973 -4.132 2.239 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.130 -4.955 1.698 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.439 -2.732 2.604 1.00 0.00 C ATOM 0 H VAL A 18 5.843 -5.968 0.323 1.00 0.00 H new ATOM 0 HA VAL A 18 5.006 -3.477 1.634 1.00 0.00 H new ATOM 0 HB VAL A 18 6.602 -4.616 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.933 -4.982 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.790 -5.970 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.498 -4.504 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.254 -2.796 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.787 -2.219 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.610 -2.175 3.042 1.00 0.00 H new ATOM 264 N ASN A 19 6.455 -2.094 -0.033 1.00 0.00 N ATOM 265 CA ASN A 19 6.933 -1.347 -1.188 1.00 0.00 C ATOM 266 C ASN A 19 8.342 -1.794 -1.566 1.00 0.00 C ATOM 267 O ASN A 19 9.168 -2.065 -0.696 1.00 0.00 O ATOM 268 CB ASN A 19 6.918 0.155 -0.895 1.00 0.00 C ATOM 269 CG ASN A 19 5.666 0.832 -1.414 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.176 0.512 -2.498 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.140 1.777 -0.643 1.00 0.00 N ATOM 0 H ASN A 19 6.247 -1.519 0.784 1.00 0.00 H new ATOM 0 HA ASN A 19 6.266 -1.547 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.994 0.313 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.794 0.620 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.298 2.269 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.578 2.011 0.248 1.00 0.00 H new ATOM 278 N ARG A 20 8.610 -1.872 -2.866 1.00 0.00 N ATOM 279 CA ARG A 20 9.921 -2.292 -3.349 1.00 0.00 C ATOM 280 C ARG A 20 11.018 -1.398 -2.780 1.00 0.00 C ATOM 281 O ARG A 20 12.031 -1.883 -2.277 1.00 0.00 O ATOM 282 CB ARG A 20 9.958 -2.254 -4.878 1.00 0.00 C ATOM 283 CG ARG A 20 10.825 -3.340 -5.495 1.00 0.00 C ATOM 284 CD ARG A 20 10.579 -3.464 -6.990 1.00 0.00 C ATOM 285 NE ARG A 20 11.640 -4.213 -7.659 1.00 0.00 N ATOM 286 CZ ARG A 20 12.821 -3.693 -7.985 1.00 0.00 C ATOM 287 NH1 ARG A 20 13.098 -2.426 -7.703 1.00 0.00 N ATOM 288 NH2 ARG A 20 13.729 -4.443 -8.596 1.00 0.00 N ATOM 0 H ARG A 20 7.939 -1.651 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 20 10.097 -3.314 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.942 -2.352 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.327 -1.280 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.876 -3.114 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.616 -4.294 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.623 -3.959 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.505 -2.469 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 20 11.466 -5.191 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.404 -1.844 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.005 -2.034 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.522 -5.417 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.634 -4.045 -8.846 1.00 0.00 H new ATOM 302 N HIS A 21 10.804 -0.090 -2.848 1.00 0.00 N ATOM 303 CA HIS A 21 11.772 0.865 -2.325 1.00 0.00 C ATOM 304 C HIS A 21 11.838 0.795 -0.800 1.00 0.00 C ATOM 305 O HIS A 21 12.730 1.378 -0.183 1.00 0.00 O ATOM 306 CB HIS A 21 11.412 2.284 -2.770 1.00 0.00 C ATOM 307 CG HIS A 21 12.587 3.076 -3.252 1.00 0.00 C ATOM 308 ND1 HIS A 21 12.873 3.262 -4.589 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.554 3.734 -2.569 1.00 0.00 C ATOM 310 CE1 HIS A 21 13.964 3.999 -4.706 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.395 4.298 -3.495 1.00 0.00 N ATOM 0 H HIS A 21 9.971 0.333 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 21 12.753 0.606 -2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.670 2.229 -3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.947 2.810 -1.937 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.646 3.802 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.424 4.304 -5.634 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.220 4.858 -3.282 1.00 0.00 H new ATOM 320 N LEU A 22 10.887 0.084 -0.196 1.00 0.00 N ATOM 321 CA LEU A 22 10.839 -0.053 1.254 1.00 0.00 C ATOM 322 C LEU A 22 11.221 -1.464 1.701 1.00 0.00 C ATOM 323 O LEU A 22 11.450 -1.700 2.887 1.00 0.00 O ATOM 324 CB LEU A 22 9.440 0.288 1.769 1.00 0.00 C ATOM 325 CG LEU A 22 9.406 1.017 3.115 1.00 0.00 C ATOM 326 CD1 LEU A 22 9.287 2.519 2.905 1.00 0.00 C ATOM 327 CD2 LEU A 22 8.259 0.503 3.971 1.00 0.00 C ATOM 0 H LEU A 22 10.141 -0.405 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 22 11.565 0.643 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.936 0.906 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.867 -0.635 1.858 1.00 0.00 H new ATOM 0 HG LEU A 22 10.341 0.817 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.264 3.021 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.143 2.875 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.369 2.739 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.250 1.032 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.315 0.672 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.389 -0.564 4.150 1.00 0.00 H new ATOM 339 N ALA A 23 11.291 -2.403 0.757 1.00 0.00 N ATOM 340 CA ALA A 23 11.646 -3.772 1.086 1.00 0.00 C ATOM 341 C ALA A 23 13.111 -3.868 1.485 1.00 0.00 C ATOM 342 O ALA A 23 13.940 -3.081 1.030 1.00 0.00 O ATOM 343 CB ALA A 23 11.347 -4.690 -0.091 1.00 0.00 C ATOM 0 H ALA A 23 11.107 -2.237 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 23 11.044 -4.091 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.617 -5.714 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.284 -4.644 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.925 -4.370 -0.958 1.00 0.00 H new ATOM 349 N THR A 24 13.423 -4.831 2.343 1.00 0.00 N ATOM 350 CA THR A 24 14.791 -5.030 2.802 1.00 0.00 C ATOM 351 C THR A 24 15.404 -6.251 2.126 1.00 0.00 C ATOM 352 O THR A 24 14.703 -7.028 1.478 1.00 0.00 O ATOM 353 CB THR A 24 14.824 -5.201 4.322 1.00 0.00 C ATOM 354 OG1 THR A 24 14.354 -6.485 4.692 1.00 0.00 O ATOM 355 CG2 THR A 24 13.988 -4.176 5.057 1.00 0.00 C ATOM 0 H THR A 24 12.747 -5.486 2.735 1.00 0.00 H new ATOM 0 HA THR A 24 15.376 -4.150 2.536 1.00 0.00 H new ATOM 0 HB THR A 24 15.868 -5.066 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.384 -6.576 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.055 -4.354 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.357 -3.176 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.949 -4.259 4.740 1.00 0.00 H new ATOM 363 N HIS A 25 16.713 -6.417 2.280 1.00 0.00 N ATOM 364 CA HIS A 25 17.410 -7.549 1.681 1.00 0.00 C ATOM 365 C HIS A 25 16.761 -8.865 2.102 1.00 0.00 C ATOM 366 O HIS A 25 16.785 -9.850 1.363 1.00 0.00 O ATOM 367 CB HIS A 25 18.889 -7.538 2.082 1.00 0.00 C ATOM 368 CG HIS A 25 19.132 -7.882 3.521 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.891 -8.854 4.082 1.00 0.00 N flip ATOM 370 CD2 HIS A 25 18.560 -7.193 4.570 1.00 0.00 C flip ATOM 371 CE1 HIS A 25 19.765 -8.734 5.444 1.00 0.00 C flip ATOM 372 NE2 HIS A 25 18.958 -7.724 5.713 1.00 0.00 N flip ATOM 0 H HIS A 25 17.311 -5.785 2.812 1.00 0.00 H new ATOM 0 HA HIS A 25 17.339 -7.459 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.431 -8.245 1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.302 -6.550 1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.891 -6.351 4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.248 -9.364 6.177 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.688 -7.408 6.644 1.00 0.00 H new ATOM 381 N VAL A 26 16.177 -8.866 3.294 1.00 0.00 N ATOM 382 CA VAL A 26 15.514 -10.049 3.827 1.00 0.00 C ATOM 383 C VAL A 26 14.171 -10.290 3.143 1.00 0.00 C ATOM 384 O VAL A 26 13.739 -11.435 2.995 1.00 0.00 O ATOM 385 CB VAL A 26 15.286 -9.928 5.345 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.771 -11.241 5.915 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.567 -9.502 6.045 1.00 0.00 C ATOM 0 H VAL A 26 16.149 -8.056 3.913 1.00 0.00 H new ATOM 0 HA VAL A 26 16.174 -10.893 3.629 1.00 0.00 H new ATOM 0 HB VAL A 26 14.531 -9.162 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.616 -11.136 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.827 -11.500 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.501 -12.029 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.386 -9.422 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.345 -10.243 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.889 -8.535 5.658 1.00 0.00 H new ATOM 397 N ASP A 27 13.511 -9.211 2.724 1.00 0.00 N ATOM 398 CA ASP A 27 12.226 -9.326 2.061 1.00 0.00 C ATOM 399 C ASP A 27 12.405 -9.998 0.717 1.00 0.00 C ATOM 400 O ASP A 27 11.641 -10.887 0.346 1.00 0.00 O ATOM 401 CB ASP A 27 11.590 -7.940 1.879 1.00 0.00 C ATOM 402 CG ASP A 27 10.647 -7.586 3.012 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.994 -8.503 3.550 1.00 0.00 O ATOM 404 OD2 ASP A 27 10.563 -6.389 3.360 1.00 0.00 O ATOM 0 H ASP A 27 13.848 -8.255 2.834 1.00 0.00 H new ATOM 0 HA ASP A 27 11.562 -9.931 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.376 -7.188 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.046 -7.914 0.935 1.00 0.00 H new ATOM 409 N TRP A 28 13.434 -9.573 -0.005 1.00 0.00 N ATOM 410 CA TRP A 28 13.726 -10.142 -1.304 1.00 0.00 C ATOM 411 C TRP A 28 14.341 -11.530 -1.170 1.00 0.00 C ATOM 412 O TRP A 28 14.138 -12.396 -2.023 1.00 0.00 O ATOM 413 CB TRP A 28 14.629 -9.215 -2.114 1.00 0.00 C ATOM 414 CG TRP A 28 13.903 -7.992 -2.579 1.00 0.00 C ATOM 415 CD1 TRP A 28 12.945 -7.924 -3.548 1.00 0.00 C ATOM 416 CD2 TRP A 28 14.061 -6.664 -2.077 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.495 -6.633 -3.676 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.165 -5.840 -2.782 1.00 0.00 C ATOM 419 CE3 TRP A 28 14.873 -6.093 -1.096 1.00 0.00 C ATOM 420 CZ2 TRP A 28 13.057 -4.475 -2.534 1.00 0.00 C ATOM 421 CZ3 TRP A 28 14.767 -4.739 -0.854 1.00 0.00 C ATOM 422 CH2 TRP A 28 13.864 -3.943 -1.568 1.00 0.00 C ATOM 0 H TRP A 28 14.076 -8.838 0.291 1.00 0.00 H new ATOM 0 HA TRP A 28 12.785 -10.248 -1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.484 -8.920 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.022 -9.754 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.592 -8.763 -4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.779 -6.316 -4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.571 -6.699 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.361 -3.859 -3.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.392 -4.285 -0.100 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.804 -2.887 -1.351 1.00 0.00 H new ATOM 433 N GLN A 29 15.088 -11.740 -0.090 1.00 0.00 N ATOM 434 CA GLN A 29 15.726 -13.026 0.160 1.00 0.00 C ATOM 435 C GLN A 29 14.683 -14.137 0.217 1.00 0.00 C ATOM 436 O GLN A 29 14.882 -15.219 -0.336 1.00 0.00 O ATOM 437 CB GLN A 29 16.515 -12.984 1.469 1.00 0.00 C ATOM 438 CG GLN A 29 17.950 -12.509 1.300 1.00 0.00 C ATOM 439 CD GLN A 29 18.966 -13.550 1.731 1.00 0.00 C ATOM 440 OE1 GLN A 29 19.492 -13.498 2.843 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.245 -14.504 0.851 1.00 0.00 N ATOM 0 H GLN A 29 15.266 -11.035 0.626 1.00 0.00 H new ATOM 0 HA GLN A 29 16.414 -13.232 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.003 -12.325 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.521 -13.980 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.122 -12.250 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.098 -11.600 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.785 -14.508 -0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.919 -15.233 1.085 1.00 0.00 H new ATOM 450 N ASN A 30 13.568 -13.854 0.881 1.00 0.00 N ATOM 451 CA ASN A 30 12.484 -14.821 1.004 1.00 0.00 C ATOM 452 C ASN A 30 11.230 -14.310 0.301 1.00 0.00 C ATOM 453 O ASN A 30 10.110 -14.565 0.745 1.00 0.00 O ATOM 454 CB ASN A 30 12.182 -15.099 2.478 1.00 0.00 C ATOM 455 CG ASN A 30 13.404 -15.573 3.239 1.00 0.00 C ATOM 456 OD1 ASN A 30 13.823 -16.724 3.111 1.00 0.00 O ATOM 457 ND2 ASN A 30 13.984 -14.686 4.040 1.00 0.00 N ATOM 0 H ASN A 30 13.391 -12.962 1.343 1.00 0.00 H new ATOM 0 HA ASN A 30 12.798 -15.750 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.796 -14.192 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.398 -15.853 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.809 -14.948 4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.604 -13.743 4.116 1.00 0.00 H new ATOM 464 N CYS A 31 11.430 -13.582 -0.793 1.00 0.00 N ATOM 465 CA CYS A 31 10.319 -13.025 -1.556 1.00 0.00 C ATOM 466 C CYS A 31 9.693 -14.075 -2.468 1.00 0.00 C ATOM 467 O CYS A 31 10.387 -14.746 -3.233 1.00 0.00 O ATOM 468 CB CYS A 31 10.792 -11.828 -2.388 1.00 0.00 C ATOM 469 SG CYS A 31 9.555 -11.179 -3.538 1.00 0.00 S ATOM 0 H CYS A 31 12.352 -13.364 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 31 9.561 -12.693 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.096 -11.029 -1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.677 -12.121 -2.953 1.00 0.00 H new ATOM 0 HG CYS A 31 8.367 -11.342 -3.035 1.00 0.00 H new ATOM 475 N VAL A 32 8.374 -14.197 -2.387 1.00 0.00 N ATOM 476 CA VAL A 32 7.640 -15.146 -3.208 1.00 0.00 C ATOM 477 C VAL A 32 7.160 -14.484 -4.495 1.00 0.00 C ATOM 478 O VAL A 32 7.201 -15.089 -5.567 1.00 0.00 O ATOM 479 CB VAL A 32 6.417 -15.722 -2.461 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.851 -16.674 -1.361 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.561 -14.604 -1.888 1.00 0.00 C ATOM 0 H VAL A 32 7.790 -13.647 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 32 8.326 -15.960 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 32 5.818 -16.282 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.971 -17.066 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.416 -17.499 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.478 -16.142 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.705 -15.032 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.154 -14.013 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.209 -13.964 -2.697 1.00 0.00 H new ATOM 491 N TRP A 33 6.692 -13.242 -4.383 1.00 0.00 N ATOM 492 CA TRP A 33 6.191 -12.511 -5.546 1.00 0.00 C ATOM 493 C TRP A 33 6.621 -11.043 -5.518 1.00 0.00 C ATOM 494 O TRP A 33 6.850 -10.469 -4.454 1.00 0.00 O ATOM 495 CB TRP A 33 4.662 -12.633 -5.612 1.00 0.00 C ATOM 496 CG TRP A 33 3.973 -11.457 -6.241 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.493 -11.366 -7.516 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.686 -10.207 -5.613 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.926 -10.129 -7.717 1.00 0.00 N ATOM 500 CE2 TRP A 33 3.032 -9.399 -6.562 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.920 -9.693 -4.339 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.612 -8.103 -6.269 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.505 -8.409 -4.050 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.857 -7.628 -5.013 1.00 0.00 C ATOM 0 H TRP A 33 6.649 -12.724 -3.506 1.00 0.00 H new ATOM 0 HA TRP A 33 6.624 -12.953 -6.443 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.405 -13.532 -6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.276 -12.767 -4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.550 -12.149 -8.257 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.497 -9.807 -8.584 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.418 -10.290 -3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.111 -7.496 -7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.683 -8.001 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.544 -6.627 -4.757 1.00 0.00 H new ATOM 515 N GLU A 34 6.714 -10.442 -6.702 1.00 0.00 N ATOM 516 CA GLU A 34 7.101 -9.039 -6.832 1.00 0.00 C ATOM 517 C GLU A 34 6.540 -8.447 -8.126 1.00 0.00 C ATOM 518 O GLU A 34 6.840 -8.927 -9.219 1.00 0.00 O ATOM 519 CB GLU A 34 8.626 -8.900 -6.803 1.00 0.00 C ATOM 520 CG GLU A 34 9.117 -7.483 -7.058 1.00 0.00 C ATOM 521 CD GLU A 34 10.624 -7.405 -7.205 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.318 -7.302 -6.172 1.00 0.00 O ATOM 523 OE2 GLU A 34 11.111 -7.448 -8.355 1.00 0.00 O ATOM 0 H GLU A 34 6.526 -10.908 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 34 6.685 -8.488 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.994 -9.233 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.057 -9.564 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.647 -7.097 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.802 -6.840 -6.236 1.00 0.00 H new ATOM 530 N ASP A 35 5.720 -7.407 -7.993 1.00 0.00 N ATOM 531 CA ASP A 35 5.112 -6.758 -9.153 1.00 0.00 C ATOM 532 C ASP A 35 5.850 -5.475 -9.524 1.00 0.00 C ATOM 533 O ASP A 35 5.883 -4.518 -8.749 1.00 0.00 O ATOM 534 CB ASP A 35 3.641 -6.443 -8.875 1.00 0.00 C ATOM 535 CG ASP A 35 2.707 -7.508 -9.414 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.198 -8.595 -9.791 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.485 -7.258 -9.461 1.00 0.00 O ATOM 0 H ASP A 35 5.461 -6.996 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 35 5.183 -7.449 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.491 -6.343 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.388 -5.482 -9.323 1.00 0.00 H new ATOM 542 N TYR A 36 6.431 -5.464 -10.720 1.00 0.00 N ATOM 543 CA TYR A 36 7.164 -4.300 -11.206 1.00 0.00 C ATOM 544 C TYR A 36 6.225 -3.115 -11.417 1.00 0.00 C ATOM 545 O TYR A 36 6.547 -1.984 -11.051 1.00 0.00 O ATOM 546 CB TYR A 36 7.881 -4.636 -12.515 1.00 0.00 C ATOM 547 CG TYR A 36 9.187 -3.897 -12.700 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.341 -4.312 -12.047 1.00 0.00 C ATOM 549 CD2 TYR A 36 9.266 -2.784 -13.528 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.537 -3.640 -12.214 1.00 0.00 C ATOM 551 CE2 TYR A 36 10.458 -2.107 -13.701 1.00 0.00 C ATOM 552 CZ TYR A 36 11.590 -2.538 -13.043 1.00 0.00 C ATOM 553 OH TYR A 36 12.779 -1.867 -13.212 1.00 0.00 O ATOM 0 H TYR A 36 6.408 -6.249 -11.371 1.00 0.00 H new ATOM 0 HA TYR A 36 7.903 -4.025 -10.453 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.073 -5.708 -12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.221 -4.404 -13.351 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.303 -5.174 -11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.381 -2.442 -14.045 1.00 0.00 H new ATOM 0 HE1 TYR A 36 12.425 -3.975 -11.699 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.503 -1.244 -14.349 1.00 0.00 H new ATOM 0 HH TYR A 36 12.646 -1.116 -13.827 1.00 0.00 H new ATOM 563 N ASN A 37 5.063 -3.382 -12.006 1.00 0.00 N ATOM 564 CA ASN A 37 4.078 -2.340 -12.261 1.00 0.00 C ATOM 565 C ASN A 37 3.430 -1.870 -10.962 1.00 0.00 C ATOM 566 O ASN A 37 2.724 -0.865 -10.940 1.00 0.00 O ATOM 567 CB ASN A 37 3.005 -2.849 -13.224 1.00 0.00 C ATOM 568 CG ASN A 37 3.510 -2.957 -14.650 1.00 0.00 C ATOM 569 OD1 ASN A 37 4.366 -3.788 -14.955 1.00 0.00 O ATOM 570 ND2 ASN A 37 2.981 -2.117 -15.532 1.00 0.00 N ATOM 0 H ASN A 37 4.782 -4.312 -12.315 1.00 0.00 H new ATOM 0 HA ASN A 37 4.593 -1.493 -12.715 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.656 -3.826 -12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.147 -2.177 -13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.282 -2.144 -16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.274 -1.444 -15.235 1.00 0.00 H new ATOM 577 N ARG A 38 3.669 -2.597 -9.876 1.00 0.00 N ATOM 578 CA ARG A 38 3.100 -2.234 -8.587 1.00 0.00 C ATOM 579 C ARG A 38 4.191 -1.899 -7.574 1.00 0.00 C ATOM 580 O ARG A 38 3.896 -1.486 -6.453 1.00 0.00 O ATOM 581 CB ARG A 38 2.223 -3.369 -8.052 1.00 0.00 C ATOM 582 CG ARG A 38 1.322 -2.953 -6.898 1.00 0.00 C ATOM 583 CD ARG A 38 0.525 -1.704 -7.235 1.00 0.00 C ATOM 584 NE ARG A 38 1.287 -0.484 -6.976 1.00 0.00 N ATOM 585 CZ ARG A 38 1.205 0.620 -7.716 1.00 0.00 C ATOM 586 NH1 ARG A 38 0.383 0.676 -8.757 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.946 1.678 -7.410 1.00 0.00 N ATOM 0 H ARG A 38 4.249 -3.436 -9.864 1.00 0.00 H new ATOM 0 HA ARG A 38 2.486 -1.345 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.605 -3.753 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.863 -4.188 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.639 -3.767 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.927 -2.771 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.232 -1.733 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.393 -1.690 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 38 1.922 -0.478 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.193 -0.131 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.327 1.526 -9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.577 1.644 -6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.885 2.525 -7.976 1.00 0.00 H new ATOM 601 N ASP A 39 5.454 -2.082 -7.967 1.00 0.00 N ATOM 602 CA ASP A 39 6.578 -1.802 -7.078 1.00 0.00 C ATOM 603 C ASP A 39 6.331 -2.416 -5.705 1.00 0.00 C ATOM 604 O ASP A 39 6.721 -1.859 -4.680 1.00 0.00 O ATOM 605 CB ASP A 39 6.793 -0.293 -6.948 1.00 0.00 C ATOM 606 CG ASP A 39 7.810 0.232 -7.943 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.045 -0.446 -8.965 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.370 1.321 -7.700 1.00 0.00 O ATOM 0 H ASP A 39 5.721 -2.421 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 39 7.476 -2.247 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.843 0.221 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.125 -0.062 -5.936 1.00 0.00 H new ATOM 613 N LEU A 40 5.662 -3.563 -5.702 1.00 0.00 N ATOM 614 CA LEU A 40 5.338 -4.262 -4.465 1.00 0.00 C ATOM 615 C LEU A 40 5.814 -5.710 -4.522 1.00 0.00 C ATOM 616 O LEU A 40 5.925 -6.291 -5.602 1.00 0.00 O ATOM 617 CB LEU A 40 3.827 -4.208 -4.225 1.00 0.00 C ATOM 618 CG LEU A 40 3.324 -5.000 -3.017 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.772 -4.339 -1.722 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.808 -5.124 -3.061 1.00 0.00 C ATOM 0 H LEU A 40 5.332 -4.030 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 40 5.851 -3.770 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.533 -3.166 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.321 -4.579 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 40 3.753 -6.001 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.405 -4.916 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.861 -4.300 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.371 -3.326 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.464 -5.690 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.361 -4.130 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.512 -5.641 -3.974 1.00 0.00 H new ATOM 632 N LEU A 41 6.090 -6.289 -3.358 1.00 0.00 N ATOM 633 CA LEU A 41 6.548 -7.673 -3.292 1.00 0.00 C ATOM 634 C LEU A 41 6.053 -8.373 -2.032 1.00 0.00 C ATOM 635 O LEU A 41 5.752 -7.729 -1.030 1.00 0.00 O ATOM 636 CB LEU A 41 8.085 -7.764 -3.407 1.00 0.00 C ATOM 637 CG LEU A 41 8.950 -7.154 -2.276 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.777 -5.995 -2.807 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.132 -6.698 -1.077 1.00 0.00 C ATOM 0 H LEU A 41 6.006 -5.826 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 41 6.116 -8.193 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.349 -8.818 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.376 -7.285 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 41 9.608 -7.951 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.379 -5.578 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.432 -6.350 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.114 -5.225 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.797 -6.281 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.418 -5.937 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.595 -7.549 -0.658 1.00 0.00 H new ATOM 651 N VAL A 42 5.967 -9.697 -2.091 1.00 0.00 N ATOM 652 CA VAL A 42 5.513 -10.483 -0.954 1.00 0.00 C ATOM 653 C VAL A 42 6.601 -11.443 -0.508 1.00 0.00 C ATOM 654 O VAL A 42 7.160 -12.184 -1.321 1.00 0.00 O ATOM 655 CB VAL A 42 4.220 -11.285 -1.270 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.973 -12.390 -0.240 1.00 0.00 C ATOM 657 CG2 VAL A 42 3.016 -10.359 -1.335 1.00 0.00 C ATOM 0 H VAL A 42 6.206 -10.247 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 42 5.285 -9.779 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 42 4.362 -11.756 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.060 -12.928 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.815 -13.083 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.868 -11.947 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.121 -10.941 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.892 -9.855 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.170 -9.616 -2.118 1.00 0.00 H new ATOM 667 N SER A 43 6.878 -11.431 0.789 1.00 0.00 N ATOM 668 CA SER A 43 7.880 -12.305 1.376 1.00 0.00 C ATOM 669 C SER A 43 7.233 -13.179 2.440 1.00 0.00 C ATOM 670 O SER A 43 6.179 -12.835 2.975 1.00 0.00 O ATOM 671 CB SER A 43 9.021 -11.487 1.981 1.00 0.00 C ATOM 672 OG SER A 43 8.694 -11.037 3.285 1.00 0.00 O ATOM 0 H SER A 43 6.416 -10.817 1.460 1.00 0.00 H new ATOM 0 HA SER A 43 8.296 -12.940 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.926 -12.093 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.237 -10.631 1.342 1.00 0.00 H new ATOM 0 HG SER A 43 9.125 -10.173 3.451 1.00 0.00 H new ATOM 678 N THR A 44 7.849 -14.314 2.736 1.00 0.00 N ATOM 679 CA THR A 44 7.301 -15.227 3.727 1.00 0.00 C ATOM 680 C THR A 44 7.964 -15.039 5.085 1.00 0.00 C ATOM 681 O THR A 44 9.188 -15.030 5.200 1.00 0.00 O ATOM 682 CB THR A 44 7.445 -16.667 3.248 1.00 0.00 C ATOM 683 OG1 THR A 44 8.787 -17.107 3.357 1.00 0.00 O ATOM 684 CG2 THR A 44 7.013 -16.841 1.812 1.00 0.00 C ATOM 0 H THR A 44 8.722 -14.623 2.308 1.00 0.00 H new ATOM 0 HA THR A 44 6.242 -15.001 3.848 1.00 0.00 H new ATOM 0 HB THR A 44 6.795 -17.262 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.854 -18.034 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.135 -17.884 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.966 -16.555 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.626 -16.209 1.169 1.00 0.00 H new ATOM 692 N THR A 45 7.132 -14.874 6.107 1.00 0.00 N ATOM 693 CA THR A 45 7.611 -14.666 7.467 1.00 0.00 C ATOM 694 C THR A 45 7.463 -15.939 8.297 1.00 0.00 C ATOM 695 O THR A 45 8.285 -16.224 9.168 1.00 0.00 O ATOM 696 CB THR A 45 6.844 -13.511 8.128 1.00 0.00 C ATOM 697 OG1 THR A 45 5.840 -14.002 9.000 1.00 0.00 O ATOM 698 CG2 THR A 45 6.170 -12.582 7.134 1.00 0.00 C ATOM 0 H THR A 45 6.116 -14.881 6.017 1.00 0.00 H new ATOM 0 HA THR A 45 8.669 -14.409 7.421 1.00 0.00 H new ATOM 0 HB THR A 45 7.601 -12.947 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.265 -13.262 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.648 -11.791 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.922 -12.141 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.455 -13.147 6.535 1.00 0.00 H new ATOM 706 N THR A 46 6.407 -16.699 8.020 1.00 0.00 N ATOM 707 CA THR A 46 6.143 -17.940 8.739 1.00 0.00 C ATOM 708 C THR A 46 5.760 -17.661 10.191 1.00 0.00 C ATOM 709 O THR A 46 6.422 -18.124 11.120 1.00 0.00 O ATOM 710 CB THR A 46 7.366 -18.860 8.687 1.00 0.00 C ATOM 711 OG1 THR A 46 7.969 -18.819 7.405 1.00 0.00 O ATOM 712 CG2 THR A 46 7.040 -20.305 8.995 1.00 0.00 C ATOM 0 H THR A 46 5.719 -16.476 7.301 1.00 0.00 H new ATOM 0 HA THR A 46 5.305 -18.438 8.252 1.00 0.00 H new ATOM 0 HB THR A 46 8.043 -18.486 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.749 -19.412 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.950 -20.903 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.617 -20.377 9.997 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.318 -20.678 8.269 1.00 0.00 H new ATOM 720 N ALA A 47 4.685 -16.901 10.377 1.00 0.00 N ATOM 721 CA ALA A 47 4.211 -16.561 11.714 1.00 0.00 C ATOM 722 C ALA A 47 2.706 -16.312 11.719 1.00 0.00 C ATOM 723 O ALA A 47 2.013 -16.619 10.749 1.00 0.00 O ATOM 724 CB ALA A 47 4.955 -15.343 12.241 1.00 0.00 C ATOM 0 H ALA A 47 4.126 -16.509 9.619 1.00 0.00 H new ATOM 0 HA ALA A 47 4.411 -17.408 12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.592 -15.099 13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.022 -15.560 12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.784 -14.496 11.576 1.00 0.00 H new ATOM 730 N HIS A 48 2.206 -15.755 12.819 1.00 0.00 N ATOM 731 CA HIS A 48 0.782 -15.466 12.950 1.00 0.00 C ATOM 732 C HIS A 48 0.426 -14.152 12.263 1.00 0.00 C ATOM 733 O HIS A 48 1.237 -13.227 12.212 1.00 0.00 O ATOM 734 CB HIS A 48 0.386 -15.405 14.428 1.00 0.00 C ATOM 735 CG HIS A 48 1.172 -14.403 15.216 1.00 0.00 C ATOM 736 ND1 HIS A 48 2.439 -14.651 15.698 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.862 -13.143 15.606 1.00 0.00 C ATOM 738 CE1 HIS A 48 2.876 -13.588 16.351 1.00 0.00 C ATOM 739 NE2 HIS A 48 1.939 -12.660 16.309 1.00 0.00 N ATOM 0 H HIS A 48 2.766 -15.495 13.631 1.00 0.00 H new ATOM 0 HA HIS A 48 0.229 -16.270 12.464 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.674 -15.163 14.502 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.520 -16.391 14.873 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.059 -12.617 15.402 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.836 -13.495 16.836 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.004 -11.733 16.730 1.00 0.00 H new ATOM 748 N GLY A 49 -0.791 -14.076 11.732 1.00 0.00 N ATOM 749 CA GLY A 49 -1.232 -12.872 11.052 1.00 0.00 C ATOM 750 C GLY A 49 -1.981 -11.924 11.967 1.00 0.00 C ATOM 751 O GLY A 49 -2.589 -12.348 12.950 1.00 0.00 O ATOM 0 H GLY A 49 -1.480 -14.828 11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.366 -12.358 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.875 -13.147 10.216 1.00 0.00 H new ATOM 755 N CYS A 50 -1.938 -10.636 11.640 1.00 0.00 N ATOM 756 CA CYS A 50 -2.619 -9.620 12.435 1.00 0.00 C ATOM 757 C CYS A 50 -3.551 -8.786 11.562 1.00 0.00 C ATOM 758 O CYS A 50 -4.766 -8.785 11.757 1.00 0.00 O ATOM 759 CB CYS A 50 -1.598 -8.714 13.125 1.00 0.00 C ATOM 760 SG CYS A 50 -1.143 -9.248 14.792 1.00 0.00 S ATOM 0 H CYS A 50 -1.438 -10.271 10.829 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.216 -10.125 13.195 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.698 -8.667 12.512 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.002 -7.703 13.177 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.274 -8.420 15.291 1.00 0.00 H new ATOM 766 N ASP A 51 -2.973 -8.078 10.595 1.00 0.00 N ATOM 767 CA ASP A 51 -3.753 -7.242 9.690 1.00 0.00 C ATOM 768 C ASP A 51 -4.604 -8.102 8.761 1.00 0.00 C ATOM 769 O ASP A 51 -4.208 -9.205 8.385 1.00 0.00 O ATOM 770 CB ASP A 51 -2.830 -6.342 8.865 1.00 0.00 C ATOM 771 CG ASP A 51 -1.983 -5.433 9.734 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.561 -4.573 10.433 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.743 -5.579 9.716 1.00 0.00 O ATOM 0 H ASP A 51 -1.968 -8.067 10.419 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.414 -6.617 10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.179 -6.962 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.430 -5.736 8.186 1.00 0.00 H new ATOM 778 N THR A 52 -5.776 -7.593 8.397 1.00 0.00 N ATOM 779 CA THR A 52 -6.683 -8.318 7.514 1.00 0.00 C ATOM 780 C THR A 52 -7.023 -7.488 6.282 1.00 0.00 C ATOM 781 O THR A 52 -7.617 -6.415 6.390 1.00 0.00 O ATOM 782 CB THR A 52 -7.965 -8.692 8.260 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.666 -9.446 9.422 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.930 -9.502 7.423 1.00 0.00 C ATOM 0 H THR A 52 -6.120 -6.682 8.699 1.00 0.00 H new ATOM 0 HA THR A 52 -6.181 -9.229 7.189 1.00 0.00 H new ATOM 0 HB THR A 52 -8.439 -7.744 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.498 -9.674 9.887 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.817 -9.733 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.219 -8.928 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.450 -10.429 7.110 1.00 0.00 H new ATOM 792 N ILE A 53 -6.647 -7.990 5.110 1.00 0.00 N ATOM 793 CA ILE A 53 -6.920 -7.287 3.860 1.00 0.00 C ATOM 794 C ILE A 53 -8.397 -7.373 3.508 1.00 0.00 C ATOM 795 O ILE A 53 -9.024 -8.420 3.669 1.00 0.00 O ATOM 796 CB ILE A 53 -6.111 -7.846 2.672 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.740 -8.377 3.132 1.00 0.00 C ATOM 798 CG2 ILE A 53 -5.970 -6.778 1.595 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.555 -7.859 2.338 1.00 0.00 C ATOM 0 H ILE A 53 -6.155 -8.876 4.999 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.622 -6.252 4.027 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.650 -8.692 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.599 -8.115 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.750 -9.465 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.398 -7.178 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.959 -6.478 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.452 -5.912 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.635 -8.288 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.666 -8.144 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.512 -6.773 2.416 1.00 0.00 H new ATOM 811 N ALA A 54 -8.947 -6.270 3.022 1.00 0.00 N ATOM 812 CA ALA A 54 -10.349 -6.226 2.642 1.00 0.00 C ATOM 813 C ALA A 54 -10.516 -6.475 1.148 1.00 0.00 C ATOM 814 O ALA A 54 -9.925 -5.778 0.323 1.00 0.00 O ATOM 815 CB ALA A 54 -10.959 -4.889 3.032 1.00 0.00 C ATOM 0 H ALA A 54 -8.443 -5.394 2.882 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.873 -7.018 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.009 -4.870 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.878 -4.753 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.427 -4.084 2.524 1.00 0.00 H new ATOM 821 N ARG A 55 -11.331 -7.467 0.804 1.00 0.00 N ATOM 822 CA ARG A 55 -11.583 -7.802 -0.594 1.00 0.00 C ATOM 823 C ARG A 55 -12.790 -7.031 -1.119 1.00 0.00 C ATOM 824 O ARG A 55 -13.549 -7.532 -1.949 1.00 0.00 O ATOM 825 CB ARG A 55 -11.812 -9.307 -0.749 1.00 0.00 C ATOM 826 CG ARG A 55 -11.023 -9.928 -1.891 1.00 0.00 C ATOM 827 CD ARG A 55 -11.924 -10.301 -3.059 1.00 0.00 C ATOM 828 NE ARG A 55 -12.822 -11.407 -2.728 1.00 0.00 N ATOM 829 CZ ARG A 55 -14.100 -11.256 -2.379 1.00 0.00 C ATOM 830 NH1 ARG A 55 -14.643 -10.048 -2.305 1.00 0.00 N ATOM 831 NH2 ARG A 55 -14.837 -12.323 -2.100 1.00 0.00 N ATOM 0 H ARG A 55 -11.829 -8.053 1.474 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.707 -7.519 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.541 -9.805 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.874 -9.490 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.260 -9.227 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.504 -10.817 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.513 -9.432 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.310 -10.577 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.447 -12.355 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.082 -9.223 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.622 -9.944 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.426 -13.255 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.815 -12.212 -1.833 1.00 0.00 H new ATOM 845 N CYS A 56 -12.958 -5.811 -0.623 1.00 0.00 N ATOM 846 CA CYS A 56 -14.068 -4.959 -1.030 1.00 0.00 C ATOM 847 C CYS A 56 -13.618 -3.940 -2.070 1.00 0.00 C ATOM 848 O CYS A 56 -12.422 -3.750 -2.290 1.00 0.00 O ATOM 849 CB CYS A 56 -14.646 -4.238 0.188 1.00 0.00 C ATOM 850 SG CYS A 56 -13.443 -3.189 1.070 1.00 0.00 S ATOM 0 H CYS A 56 -12.336 -5.388 0.066 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.838 -5.589 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.485 -3.620 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.043 -4.979 0.881 1.00 0.00 H new ATOM 855 N GLN A 57 -14.584 -3.288 -2.709 1.00 0.00 N ATOM 856 CA GLN A 57 -14.284 -2.289 -3.729 1.00 0.00 C ATOM 857 C GLN A 57 -14.910 -0.942 -3.382 1.00 0.00 C ATOM 858 O GLN A 57 -15.416 -0.240 -4.258 1.00 0.00 O ATOM 859 CB GLN A 57 -14.783 -2.762 -5.095 1.00 0.00 C ATOM 860 CG GLN A 57 -13.854 -2.397 -6.242 1.00 0.00 C ATOM 861 CD GLN A 57 -13.937 -3.379 -7.395 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.438 -4.493 -7.242 1.00 0.00 O ATOM 863 NE2 GLN A 57 -13.444 -2.968 -8.558 1.00 0.00 N ATOM 0 H GLN A 57 -15.579 -3.433 -2.539 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.202 -2.162 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.910 -3.844 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.766 -2.330 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.102 -1.398 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.828 -2.358 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.038 -2.036 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.472 -3.585 -9.370 1.00 0.00 H new ATOM 872 N CYS A 58 -14.870 -0.582 -2.102 1.00 0.00 N ATOM 873 CA CYS A 58 -15.433 0.689 -1.654 1.00 0.00 C ATOM 874 C CYS A 58 -14.606 1.859 -2.172 1.00 0.00 C ATOM 875 O CYS A 58 -13.382 1.867 -2.049 1.00 0.00 O ATOM 876 CB CYS A 58 -15.493 0.748 -0.125 1.00 0.00 C ATOM 877 SG CYS A 58 -16.201 -0.731 0.663 1.00 0.00 S ATOM 0 H CYS A 58 -14.457 -1.148 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.444 0.762 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.485 0.901 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.081 1.617 0.169 1.00 0.00 H new ATOM 882 N THR A 59 -15.282 2.851 -2.739 1.00 0.00 N ATOM 883 CA THR A 59 -14.602 4.030 -3.261 1.00 0.00 C ATOM 884 C THR A 59 -14.190 4.966 -2.126 1.00 0.00 C ATOM 885 O THR A 59 -13.491 5.953 -2.350 1.00 0.00 O ATOM 886 CB THR A 59 -15.503 4.773 -4.247 1.00 0.00 C ATOM 887 OG1 THR A 59 -14.944 6.030 -4.586 1.00 0.00 O ATOM 888 CG2 THR A 59 -16.898 5.020 -3.716 1.00 0.00 C ATOM 0 H THR A 59 -16.296 2.863 -2.849 1.00 0.00 H new ATOM 0 HA THR A 59 -13.704 3.699 -3.782 1.00 0.00 H new ATOM 0 HB THR A 59 -15.574 4.123 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 59 -13.998 5.916 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.484 5.551 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.376 4.067 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.841 5.621 -2.808 1.00 0.00 H new ATOM 896 N THR A 60 -14.630 4.651 -0.908 1.00 0.00 N ATOM 897 CA THR A 60 -14.306 5.468 0.254 1.00 0.00 C ATOM 898 C THR A 60 -13.497 4.674 1.275 1.00 0.00 C ATOM 899 O THR A 60 -13.926 3.618 1.741 1.00 0.00 O ATOM 900 CB THR A 60 -15.587 5.997 0.903 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.239 4.973 1.632 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.578 6.551 -0.097 1.00 0.00 C ATOM 0 H THR A 60 -15.210 3.837 -0.704 1.00 0.00 H new ATOM 0 HA THR A 60 -13.701 6.309 -0.084 1.00 0.00 H new ATOM 0 HB THR A 60 -15.266 6.806 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.588 4.285 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.463 6.909 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.121 7.376 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.864 5.767 -0.798 1.00 0.00 H new ATOM 910 N GLY A 61 -12.328 5.199 1.621 1.00 0.00 N ATOM 911 CA GLY A 61 -11.468 4.544 2.589 1.00 0.00 C ATOM 912 C GLY A 61 -10.651 5.548 3.378 1.00 0.00 C ATOM 913 O GLY A 61 -10.518 6.700 2.968 1.00 0.00 O ATOM 0 H GLY A 61 -11.958 6.072 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.075 3.950 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.799 3.854 2.074 1.00 0.00 H new ATOM 917 N VAL A 62 -10.105 5.125 4.511 1.00 0.00 N ATOM 918 CA VAL A 62 -9.309 6.020 5.342 1.00 0.00 C ATOM 919 C VAL A 62 -7.813 5.808 5.126 1.00 0.00 C ATOM 920 O VAL A 62 -7.328 4.675 5.084 1.00 0.00 O ATOM 921 CB VAL A 62 -9.647 5.850 6.837 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.310 4.444 7.310 1.00 0.00 C ATOM 923 CG2 VAL A 62 -8.919 6.894 7.670 1.00 0.00 C ATOM 0 H VAL A 62 -10.197 4.176 4.874 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.562 7.036 5.038 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.719 5.999 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.557 4.347 8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.886 3.719 6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.246 4.257 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.169 6.759 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.843 6.781 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.222 7.891 7.350 1.00 0.00 H new ATOM 933 N TYR A 63 -7.090 6.919 4.982 1.00 0.00 N ATOM 934 CA TYR A 63 -5.649 6.881 4.761 1.00 0.00 C ATOM 935 C TYR A 63 -4.903 7.621 5.872 1.00 0.00 C ATOM 936 O TYR A 63 -5.494 8.007 6.880 1.00 0.00 O ATOM 937 CB TYR A 63 -5.312 7.496 3.394 1.00 0.00 C ATOM 938 CG TYR A 63 -5.448 9.005 3.338 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.381 9.829 3.674 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.641 9.607 2.947 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.496 11.206 3.623 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.761 10.984 2.894 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.687 11.777 3.234 1.00 0.00 C ATOM 944 OH TYR A 63 -5.804 13.147 3.183 1.00 0.00 O ATOM 0 H TYR A 63 -7.484 7.859 5.015 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.328 5.840 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.290 7.225 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.964 7.056 2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.445 9.386 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.486 8.989 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.656 11.831 3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.693 11.436 2.587 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.932 13.542 2.976 1.00 0.00 H new ATOM 954 N PHE A 64 -3.601 7.816 5.675 1.00 0.00 N ATOM 955 CA PHE A 64 -2.762 8.510 6.651 1.00 0.00 C ATOM 956 C PHE A 64 -2.598 7.682 7.928 1.00 0.00 C ATOM 957 O PHE A 64 -1.681 6.866 8.025 1.00 0.00 O ATOM 958 CB PHE A 64 -3.345 9.896 6.972 1.00 0.00 C ATOM 959 CG PHE A 64 -2.628 11.043 6.304 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.832 10.842 5.184 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.755 12.330 6.804 1.00 0.00 C ATOM 962 CE1 PHE A 64 -1.180 11.900 4.579 1.00 0.00 C ATOM 963 CE2 PHE A 64 -2.105 13.392 6.202 1.00 0.00 C ATOM 964 CZ PHE A 64 -1.317 13.176 5.090 1.00 0.00 C ATOM 0 H PHE A 64 -3.101 7.501 4.843 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.773 8.643 6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.393 9.914 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.319 10.047 8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.721 9.846 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.369 12.505 7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.564 11.729 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.214 14.389 6.602 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.808 14.004 4.620 1.00 0.00 H new ATOM 974 N CYS A 65 -3.483 7.886 8.906 1.00 0.00 N ATOM 975 CA CYS A 65 -3.412 7.144 10.164 1.00 0.00 C ATOM 976 C CYS A 65 -2.212 7.586 11.001 1.00 0.00 C ATOM 977 O CYS A 65 -2.374 8.104 12.106 1.00 0.00 O ATOM 978 CB CYS A 65 -3.337 5.638 9.894 1.00 0.00 C ATOM 979 SG CYS A 65 -4.712 4.694 10.592 1.00 0.00 S ATOM 0 H CYS A 65 -4.252 8.554 8.851 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.319 7.359 10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.307 5.474 8.817 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.402 5.253 10.301 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.473 4.261 9.631 1.00 0.00 H new ATOM 985 N ALA A 66 -1.010 7.367 10.474 1.00 0.00 N ATOM 986 CA ALA A 66 0.213 7.733 11.182 1.00 0.00 C ATOM 987 C ALA A 66 0.664 9.151 10.838 1.00 0.00 C ATOM 988 O ALA A 66 1.143 9.884 11.704 1.00 0.00 O ATOM 989 CB ALA A 66 1.320 6.738 10.864 1.00 0.00 C ATOM 0 H ALA A 66 -0.857 6.939 9.561 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.002 7.705 12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.228 7.021 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.012 5.740 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.514 6.740 9.791 1.00 0.00 H new ATOM 995 N SER A 67 0.516 9.531 9.572 1.00 0.00 N ATOM 996 CA SER A 67 0.917 10.863 9.116 1.00 0.00 C ATOM 997 C SER A 67 0.418 11.949 10.068 1.00 0.00 C ATOM 998 O SER A 67 1.209 12.595 10.755 1.00 0.00 O ATOM 999 CB SER A 67 0.387 11.125 7.705 1.00 0.00 C ATOM 1000 OG SER A 67 0.562 9.990 6.876 1.00 0.00 O ATOM 0 H SER A 67 0.122 8.937 8.842 1.00 0.00 H new ATOM 0 HA SER A 67 2.006 10.895 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.671 11.385 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.906 11.980 7.271 1.00 0.00 H new ATOM 0 HG SER A 67 -0.103 10.005 6.157 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.897 12.140 10.107 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.497 13.143 10.981 1.00 0.00 C ATOM 1008 C LYS A 68 -1.793 12.562 12.363 1.00 0.00 C ATOM 1009 O LYS A 68 -2.464 13.194 13.179 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.785 13.686 10.356 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.628 15.072 9.749 1.00 0.00 C ATOM 1012 CD LYS A 68 -2.973 16.161 10.751 1.00 0.00 C ATOM 1013 CE LYS A 68 -2.188 17.435 10.483 1.00 0.00 C ATOM 1014 NZ LYS A 68 -0.943 17.503 11.299 1.00 0.00 N ATOM 0 H LYS A 68 -1.567 11.615 9.545 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.783 13.959 11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.123 12.996 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.564 13.718 11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.603 15.205 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.273 15.163 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.041 16.374 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.762 15.808 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.932 17.488 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.814 18.300 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.437 18.386 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.188 17.479 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.334 16.692 11.071 1.00 0.00 H new ATOM 1028 N SER A 69 -1.293 11.354 12.622 1.00 0.00 N ATOM 1029 CA SER A 69 -1.512 10.692 13.903 1.00 0.00 C ATOM 1030 C SER A 69 -2.987 10.345 14.099 1.00 0.00 C ATOM 1031 O SER A 69 -3.407 9.993 15.202 1.00 0.00 O ATOM 1032 CB SER A 69 -1.024 11.577 15.053 1.00 0.00 C ATOM 1033 OG SER A 69 -0.211 10.845 15.951 1.00 0.00 O ATOM 0 H SER A 69 -0.734 10.816 11.960 1.00 0.00 H new ATOM 0 HA SER A 69 -0.940 9.764 13.902 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.461 12.420 14.653 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.880 11.990 15.587 1.00 0.00 H new ATOM 0 HG SER A 69 0.089 11.434 16.675 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.771 10.444 13.025 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.194 10.139 13.087 1.00 0.00 C ATOM 1041 C LYS A 70 -5.665 9.472 11.799 1.00 0.00 C ATOM 1042 O LYS A 70 -4.949 9.449 10.796 1.00 0.00 O ATOM 1043 CB LYS A 70 -6.005 11.414 13.330 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.620 12.156 14.602 1.00 0.00 C ATOM 1045 CD LYS A 70 -4.995 13.507 14.293 1.00 0.00 C ATOM 1046 CE LYS A 70 -5.981 14.644 14.515 1.00 0.00 C ATOM 1047 NZ LYS A 70 -5.373 15.763 15.286 1.00 0.00 N ATOM 0 H LYS A 70 -3.442 10.733 12.104 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.351 9.450 13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.877 12.082 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.063 11.157 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.504 12.297 15.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.918 11.553 15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.119 13.656 14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.649 13.521 13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.331 15.015 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.854 14.268 15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.077 16.518 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.062 15.415 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.555 16.139 14.766 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.879 8.936 11.836 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.461 8.273 10.674 1.00 0.00 C ATOM 1063 C HIS A 71 -8.192 9.280 9.793 1.00 0.00 C ATOM 1064 O HIS A 71 -9.170 9.894 10.221 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.425 7.169 11.118 1.00 0.00 C ATOM 1066 CG HIS A 71 -9.325 7.569 12.246 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -8.954 7.483 13.572 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -10.587 8.062 12.242 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -9.948 7.904 14.334 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -10.949 8.262 13.551 1.00 0.00 N ATOM 0 H HIS A 71 -7.481 8.947 12.659 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.653 7.825 10.095 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.036 6.870 10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.848 6.295 11.419 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.195 8.261 11.372 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.943 7.948 15.413 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -11.847 8.628 13.868 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.715 9.451 8.564 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.334 10.391 7.637 1.00 0.00 C ATOM 1081 C TYR A 72 -9.110 9.655 6.544 1.00 0.00 C ATOM 1082 O TYR A 72 -8.518 8.979 5.705 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.256 11.266 6.990 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.161 12.660 7.568 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.411 12.911 8.711 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.814 13.726 6.964 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.318 14.185 9.237 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.725 15.004 7.483 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.975 15.228 8.619 1.00 0.00 C ATOM 1090 OH TYR A 72 -6.884 16.499 9.138 1.00 0.00 O ATOM 0 H TYR A 72 -6.907 8.954 8.189 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.030 11.013 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.290 10.773 7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.457 11.341 5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.893 12.097 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.401 13.554 6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.734 14.363 10.128 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.240 15.823 7.002 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.404 17.117 8.583 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.450 9.784 6.526 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.296 9.135 5.525 1.00 0.00 C ATOM 1102 C PRO A 73 -11.308 9.910 4.211 1.00 0.00 C ATOM 1103 O PRO A 73 -11.349 11.139 4.208 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.692 9.135 6.172 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.510 9.724 7.535 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.261 10.552 7.470 1.00 0.00 C ATOM 0 HA PRO A 73 -10.943 8.136 5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.396 9.723 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.094 8.124 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.368 10.336 7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.419 8.941 8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.457 11.563 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.779 10.645 8.443 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.258 9.187 3.098 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.247 9.818 1.785 1.00 0.00 C ATOM 1116 C VAL A 74 -11.877 8.925 0.719 1.00 0.00 C ATOM 1117 O VAL A 74 -11.982 7.711 0.890 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.804 10.176 1.358 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.113 8.996 0.686 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.796 11.391 0.446 1.00 0.00 C ATOM 0 H VAL A 74 -11.225 8.168 3.079 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.840 10.728 1.869 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.244 10.419 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.101 9.282 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.069 8.157 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.673 8.704 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.771 11.624 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.384 11.179 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.228 12.243 0.971 1.00 0.00 H new ATOM 1130 N SER A 75 -12.261 9.539 -0.393 1.00 0.00 N ATOM 1131 CA SER A 75 -12.844 8.812 -1.511 1.00 0.00 C ATOM 1132 C SER A 75 -11.828 8.735 -2.644 1.00 0.00 C ATOM 1133 O SER A 75 -11.283 9.756 -3.064 1.00 0.00 O ATOM 1134 CB SER A 75 -14.123 9.500 -1.993 1.00 0.00 C ATOM 1135 OG SER A 75 -13.825 10.610 -2.821 1.00 0.00 O ATOM 0 H SER A 75 -12.178 10.544 -0.544 1.00 0.00 H new ATOM 0 HA SER A 75 -13.104 7.805 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.738 8.787 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.708 9.830 -1.134 1.00 0.00 H new ATOM 0 HG SER A 75 -12.860 10.778 -2.808 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.556 7.529 -3.127 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.581 7.357 -4.200 1.00 0.00 C ATOM 1143 C PHE A 76 -11.136 6.543 -5.359 1.00 0.00 C ATOM 1144 O PHE A 76 -12.165 5.876 -5.246 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.286 6.691 -3.695 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.316 6.220 -2.266 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.314 5.374 -1.810 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.331 6.624 -1.381 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.327 4.944 -0.497 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.339 6.200 -0.070 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.339 5.359 0.374 1.00 0.00 C ATOM 0 H PHE A 76 -11.989 6.666 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.353 8.362 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.063 5.838 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.465 7.399 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.089 5.048 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.545 7.281 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.109 4.284 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.564 6.525 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.349 5.026 1.401 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.411 6.598 -6.468 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.763 5.869 -7.675 1.00 0.00 C ATOM 1163 C GLU A 77 -9.729 4.779 -7.912 1.00 0.00 C ATOM 1164 O GLU A 77 -8.621 4.849 -7.375 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.825 6.813 -8.877 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.209 7.389 -9.129 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.434 8.701 -8.403 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -11.938 9.740 -8.888 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.107 8.690 -7.352 1.00 0.00 O ATOM 0 H GLU A 77 -9.559 7.152 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.748 5.420 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.123 7.632 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.497 6.276 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.346 7.542 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.962 6.668 -8.811 1.00 0.00 H new ATOM 1176 N GLY A 78 -10.087 3.765 -8.692 1.00 0.00 N ATOM 1177 CA GLY A 78 -9.158 2.679 -8.948 1.00 0.00 C ATOM 1178 C GLY A 78 -8.598 2.659 -10.363 1.00 0.00 C ATOM 1179 O GLY A 78 -8.843 1.709 -11.106 1.00 0.00 O ATOM 0 H GLY A 78 -10.995 3.675 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.330 2.750 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.661 1.732 -8.755 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.826 3.687 -10.773 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.240 3.734 -12.114 1.00 0.00 C ATOM 1185 C PRO A 79 -6.188 2.646 -12.316 1.00 0.00 C ATOM 1186 O PRO A 79 -5.372 2.371 -11.426 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.579 5.118 -12.193 1.00 0.00 C ATOM 1188 CG PRO A 79 -7.095 5.884 -11.023 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.474 4.872 -9.980 1.00 0.00 C ATOM 0 HA PRO A 79 -7.995 3.570 -12.883 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.493 5.035 -12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.830 5.618 -13.129 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.336 6.567 -10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.956 6.490 -11.306 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.649 4.669 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.313 5.214 -9.373 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.220 2.028 -13.491 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.276 0.974 -13.802 1.00 0.00 C ATOM 1199 C GLY A 80 -3.841 1.458 -13.815 1.00 0.00 C ATOM 1200 O GLY A 80 -3.164 1.432 -12.788 1.00 0.00 O ATOM 0 H GLY A 80 -6.885 2.240 -14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.378 0.173 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.520 0.549 -14.776 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.372 1.889 -14.981 1.00 0.00 N ATOM 1205 CA LEU A 81 -2.001 2.365 -15.117 1.00 0.00 C ATOM 1206 C LEU A 81 -1.871 3.851 -14.805 1.00 0.00 C ATOM 1207 O LEU A 81 -2.469 4.695 -15.475 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.476 2.091 -16.522 1.00 0.00 C ATOM 1209 CG LEU A 81 0.008 1.723 -16.585 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.815 2.540 -15.587 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.199 0.235 -16.340 1.00 0.00 C ATOM 0 H LEU A 81 -3.918 1.918 -15.842 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.404 1.817 -14.388 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.057 1.280 -16.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.645 2.974 -17.138 1.00 0.00 H new ATOM 0 HG LEU A 81 0.373 1.958 -17.585 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.866 2.259 -15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.708 3.601 -15.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.450 2.346 -14.578 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.260 -0.008 -16.389 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.188 -0.024 -15.355 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.338 -0.331 -17.101 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.058 4.159 -13.802 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.804 5.538 -13.407 1.00 0.00 C ATOM 1225 C VAL A 82 0.696 5.806 -13.428 1.00 0.00 C ATOM 1226 O VAL A 82 1.468 5.112 -12.767 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.375 5.856 -12.005 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -0.994 7.265 -11.571 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.889 5.691 -12.006 1.00 0.00 C ATOM 0 H VAL A 82 -0.560 3.466 -13.244 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.311 6.187 -14.121 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.945 5.154 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.407 7.465 -10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.092 7.354 -11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.394 7.986 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.280 5.917 -11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.329 6.373 -12.734 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.143 4.665 -12.271 1.00 0.00 H new ATOM 1239 N GLU A 83 1.108 6.804 -14.201 1.00 0.00 N ATOM 1240 CA GLU A 83 2.520 7.140 -14.314 1.00 0.00 C ATOM 1241 C GLU A 83 3.020 7.798 -13.036 1.00 0.00 C ATOM 1242 O GLU A 83 2.690 8.947 -12.744 1.00 0.00 O ATOM 1243 CB GLU A 83 2.751 8.070 -15.508 1.00 0.00 C ATOM 1244 CG GLU A 83 4.198 8.510 -15.670 1.00 0.00 C ATOM 1245 CD GLU A 83 4.883 7.845 -16.847 1.00 0.00 C ATOM 1246 OE1 GLU A 83 4.445 8.070 -17.994 1.00 0.00 O ATOM 1247 OE2 GLU A 83 5.861 7.100 -16.621 1.00 0.00 O ATOM 0 H GLU A 83 0.486 7.392 -14.756 1.00 0.00 H new ATOM 0 HA GLU A 83 3.079 6.218 -14.471 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.430 7.564 -16.419 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.122 8.953 -15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.232 9.592 -15.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.748 8.280 -14.757 1.00 0.00 H new ATOM 1254 N VAL A 84 3.822 7.058 -12.279 1.00 0.00 N ATOM 1255 CA VAL A 84 4.370 7.567 -11.032 1.00 0.00 C ATOM 1256 C VAL A 84 5.616 8.409 -11.293 1.00 0.00 C ATOM 1257 O VAL A 84 6.641 7.902 -11.746 1.00 0.00 O ATOM 1258 CB VAL A 84 4.705 6.417 -10.055 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.552 5.353 -10.736 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.398 6.944 -8.805 1.00 0.00 C ATOM 0 H VAL A 84 4.106 6.105 -12.508 1.00 0.00 H new ATOM 0 HA VAL A 84 3.608 8.196 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 84 3.766 5.956 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.774 4.555 -10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.006 4.942 -11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.484 5.798 -11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.622 6.113 -8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.325 7.444 -9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.744 7.653 -8.298 1.00 0.00 H new ATOM 1270 N GLN A 85 5.506 9.700 -10.995 1.00 0.00 N ATOM 1271 CA GLN A 85 6.604 10.643 -11.180 1.00 0.00 C ATOM 1272 C GLN A 85 7.663 10.445 -10.104 1.00 0.00 C ATOM 1273 O GLN A 85 7.349 10.022 -8.992 1.00 0.00 O ATOM 1274 CB GLN A 85 6.077 12.080 -11.140 1.00 0.00 C ATOM 1275 CG GLN A 85 7.111 13.124 -11.532 1.00 0.00 C ATOM 1276 CD GLN A 85 6.987 13.552 -12.980 1.00 0.00 C ATOM 1277 OE1 GLN A 85 6.059 13.149 -13.682 1.00 0.00 O ATOM 1278 NE2 GLN A 85 7.925 14.374 -13.437 1.00 0.00 N ATOM 0 H GLN A 85 4.656 10.121 -10.620 1.00 0.00 H new ATOM 0 HA GLN A 85 7.058 10.459 -12.154 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.220 12.162 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.718 12.298 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.002 13.997 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.110 12.723 -11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.676 14.683 -12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.894 14.696 -14.404 1.00 0.00 H new ATOM 1287 N GLU A 86 8.917 10.738 -10.427 1.00 0.00 N ATOM 1288 CA GLU A 86 9.984 10.568 -9.456 1.00 0.00 C ATOM 1289 C GLU A 86 9.821 11.574 -8.327 1.00 0.00 C ATOM 1290 O GLU A 86 10.172 12.746 -8.460 1.00 0.00 O ATOM 1291 CB GLU A 86 11.352 10.746 -10.121 1.00 0.00 C ATOM 1292 CG GLU A 86 11.452 11.985 -10.997 1.00 0.00 C ATOM 1293 CD GLU A 86 12.878 12.294 -11.409 1.00 0.00 C ATOM 1294 OE1 GLU A 86 13.406 11.591 -12.296 1.00 0.00 O ATOM 1295 OE2 GLU A 86 13.468 13.239 -10.843 1.00 0.00 O ATOM 0 H GLU A 86 9.214 11.088 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 86 9.926 9.558 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.118 10.797 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.569 9.866 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.842 11.845 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.040 12.839 -10.460 1.00 0.00 H new ATOM 1302 N SER A 87 9.282 11.098 -7.213 1.00 0.00 N ATOM 1303 CA SER A 87 9.061 11.939 -6.044 1.00 0.00 C ATOM 1304 C SER A 87 9.271 11.144 -4.765 1.00 0.00 C ATOM 1305 O SER A 87 9.435 9.927 -4.807 1.00 0.00 O ATOM 1306 CB SER A 87 7.648 12.525 -6.072 1.00 0.00 C ATOM 1307 OG SER A 87 7.651 13.840 -6.603 1.00 0.00 O ATOM 0 H SER A 87 8.988 10.129 -7.094 1.00 0.00 H new ATOM 0 HA SER A 87 9.783 12.756 -6.067 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.999 11.888 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.236 12.538 -5.063 1.00 0.00 H new ATOM 0 HG SER A 87 6.736 14.191 -6.612 1.00 0.00 H new ATOM 1313 N GLU A 88 9.241 11.837 -3.631 1.00 0.00 N ATOM 1314 CA GLU A 88 9.405 11.199 -2.326 1.00 0.00 C ATOM 1315 C GLU A 88 10.549 10.179 -2.336 1.00 0.00 C ATOM 1316 O GLU A 88 11.681 10.503 -1.976 1.00 0.00 O ATOM 1317 CB GLU A 88 8.088 10.531 -1.909 1.00 0.00 C ATOM 1318 CG GLU A 88 7.996 10.242 -0.420 1.00 0.00 C ATOM 1319 CD GLU A 88 7.313 11.356 0.348 1.00 0.00 C ATOM 1320 OE1 GLU A 88 6.555 12.129 -0.274 1.00 0.00 O ATOM 1321 OE2 GLU A 88 7.537 11.456 1.573 1.00 0.00 O ATOM 0 H GLU A 88 9.104 12.847 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 88 9.665 11.969 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.257 11.175 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.974 9.597 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.449 9.312 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.999 10.091 -0.020 1.00 0.00 H new ATOM 1328 N TYR A 89 10.250 8.951 -2.757 1.00 0.00 N ATOM 1329 CA TYR A 89 11.249 7.891 -2.823 1.00 0.00 C ATOM 1330 C TYR A 89 10.911 6.910 -3.942 1.00 0.00 C ATOM 1331 O TYR A 89 11.333 5.754 -3.916 1.00 0.00 O ATOM 1332 CB TYR A 89 11.329 7.149 -1.487 1.00 0.00 C ATOM 1333 CG TYR A 89 9.984 6.933 -0.829 1.00 0.00 C ATOM 1334 CD1 TYR A 89 8.925 6.370 -1.533 1.00 0.00 C ATOM 1335 CD2 TYR A 89 9.772 7.293 0.496 1.00 0.00 C ATOM 1336 CE1 TYR A 89 7.695 6.173 -0.935 1.00 0.00 C ATOM 1337 CE2 TYR A 89 8.544 7.099 1.101 1.00 0.00 C ATOM 1338 CZ TYR A 89 7.510 6.538 0.381 1.00 0.00 C ATOM 1339 OH TYR A 89 6.286 6.344 0.980 1.00 0.00 O ATOM 0 H TYR A 89 9.318 8.667 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 89 12.217 8.345 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.805 6.181 -1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.970 7.711 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.066 6.082 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.580 7.732 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.883 5.735 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.395 7.385 2.132 1.00 0.00 H new ATOM 0 HH TYR A 89 6.324 6.654 1.909 1.00 0.00 H new ATOM 1349 N TYR A 90 10.140 7.379 -4.923 1.00 0.00 N ATOM 1350 CA TYR A 90 9.736 6.545 -6.048 1.00 0.00 C ATOM 1351 C TYR A 90 10.304 7.083 -7.360 1.00 0.00 C ATOM 1352 O TYR A 90 10.432 8.296 -7.535 1.00 0.00 O ATOM 1353 CB TYR A 90 8.210 6.477 -6.130 1.00 0.00 C ATOM 1354 CG TYR A 90 7.638 5.130 -5.749 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.150 4.413 -4.676 1.00 0.00 C ATOM 1356 CD2 TYR A 90 6.582 4.580 -6.462 1.00 0.00 C ATOM 1357 CE1 TYR A 90 7.626 3.183 -4.326 1.00 0.00 C ATOM 1358 CE2 TYR A 90 6.052 3.352 -6.119 1.00 0.00 C ATOM 1359 CZ TYR A 90 6.577 2.657 -5.050 1.00 0.00 C ATOM 1360 OH TYR A 90 6.052 1.433 -4.705 1.00 0.00 O ATOM 0 H TYR A 90 9.784 8.334 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 90 10.133 5.543 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.786 7.239 -5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.899 6.719 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.971 4.823 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.168 5.122 -7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.036 2.637 -3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.231 2.938 -6.685 1.00 0.00 H new ATOM 0 HH TYR A 90 5.658 1.487 -3.809 1.00 0.00 H new ATOM 1370 N PRO A 91 10.651 6.182 -8.299 1.00 0.00 N ATOM 1371 CA PRO A 91 11.208 6.552 -9.601 1.00 0.00 C ATOM 1372 C PRO A 91 10.129 6.870 -10.635 1.00 0.00 C ATOM 1373 O PRO A 91 9.037 6.304 -10.597 1.00 0.00 O ATOM 1374 CB PRO A 91 11.974 5.295 -10.000 1.00 0.00 C ATOM 1375 CG PRO A 91 11.183 4.176 -9.413 1.00 0.00 C ATOM 1376 CD PRO A 91 10.531 4.716 -8.161 1.00 0.00 C ATOM 0 HA PRO A 91 11.816 7.455 -9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.049 5.203 -11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.992 5.309 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.432 3.821 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.827 3.328 -9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.489 4.406 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.034 4.357 -7.263 1.00 0.00 H new ATOM 1384 N LYS A 92 10.446 7.779 -11.556 1.00 0.00 N ATOM 1385 CA LYS A 92 9.507 8.173 -12.603 1.00 0.00 C ATOM 1386 C LYS A 92 9.216 7.004 -13.542 1.00 0.00 C ATOM 1387 O LYS A 92 9.680 6.979 -14.681 1.00 0.00 O ATOM 1388 CB LYS A 92 10.070 9.353 -13.402 1.00 0.00 C ATOM 1389 CG LYS A 92 9.166 9.808 -14.539 1.00 0.00 C ATOM 1390 CD LYS A 92 8.477 11.126 -14.219 1.00 0.00 C ATOM 1391 CE LYS A 92 8.829 12.204 -15.232 1.00 0.00 C ATOM 1392 NZ LYS A 92 10.068 12.937 -14.856 1.00 0.00 N ATOM 0 H LYS A 92 11.347 8.256 -11.598 1.00 0.00 H new ATOM 0 HA LYS A 92 8.574 8.474 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.238 10.191 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.041 9.073 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.754 9.917 -15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.415 9.043 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.397 10.978 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.767 11.455 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.960 11.750 -16.214 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.001 12.909 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.086 13.858 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.085 13.085 -13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.900 12.381 -15.140 1.00 0.00 H new ATOM 1406 N ARG A 93 8.449 6.032 -13.054 1.00 0.00 N ATOM 1407 CA ARG A 93 8.106 4.858 -13.852 1.00 0.00 C ATOM 1408 C ARG A 93 6.593 4.671 -13.957 1.00 0.00 C ATOM 1409 O ARG A 93 5.819 5.468 -13.430 1.00 0.00 O ATOM 1410 CB ARG A 93 8.745 3.606 -13.247 1.00 0.00 C ATOM 1411 CG ARG A 93 9.146 2.566 -14.282 1.00 0.00 C ATOM 1412 CD ARG A 93 10.573 2.085 -14.076 1.00 0.00 C ATOM 1413 NE ARG A 93 11.281 1.915 -15.343 1.00 0.00 N ATOM 1414 CZ ARG A 93 10.938 1.025 -16.271 1.00 0.00 C ATOM 1415 NH1 ARG A 93 9.902 0.217 -16.077 1.00 0.00 N ATOM 1416 NH2 ARG A 93 11.633 0.941 -17.397 1.00 0.00 N ATOM 0 H ARG A 93 8.055 6.034 -12.113 1.00 0.00 H new ATOM 0 HA ARG A 93 8.495 5.015 -14.858 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.627 3.898 -12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.045 3.155 -12.543 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.465 1.717 -14.227 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.046 2.990 -15.281 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.110 2.800 -13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.562 1.138 -13.537 1.00 0.00 H new ATOM 0 HE ARG A 93 12.086 2.514 -15.527 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.364 0.276 -15.213 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.645 -0.463 -16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.430 1.558 -17.552 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.371 0.259 -18.109 1.00 0.00 H new ATOM 1430 N TYR A 94 6.186 3.601 -14.638 1.00 0.00 N ATOM 1431 CA TYR A 94 4.773 3.286 -14.813 1.00 0.00 C ATOM 1432 C TYR A 94 4.307 2.298 -13.746 1.00 0.00 C ATOM 1433 O TYR A 94 4.966 1.289 -13.497 1.00 0.00 O ATOM 1434 CB TYR A 94 4.533 2.702 -16.206 1.00 0.00 C ATOM 1435 CG TYR A 94 4.286 3.751 -17.264 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.325 4.534 -17.745 1.00 0.00 C ATOM 1437 CD2 TYR A 94 3.013 3.960 -17.777 1.00 0.00 C ATOM 1438 CE1 TYR A 94 5.103 5.498 -18.709 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.782 4.920 -18.740 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.830 5.688 -19.203 1.00 0.00 C ATOM 1441 OH TYR A 94 3.604 6.647 -20.164 1.00 0.00 O ATOM 0 H TYR A 94 6.821 2.935 -15.079 1.00 0.00 H new ATOM 0 HA TYR A 94 4.199 4.207 -14.709 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.397 2.103 -16.494 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.677 2.028 -16.166 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.323 4.388 -17.360 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.190 3.361 -17.416 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.922 6.100 -19.074 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.786 5.070 -19.129 1.00 0.00 H new ATOM 0 HH TYR A 94 3.820 7.531 -19.801 1.00 0.00 H new ATOM 1451 N GLN A 95 3.175 2.594 -13.113 1.00 0.00 N ATOM 1452 CA GLN A 95 2.639 1.725 -12.070 1.00 0.00 C ATOM 1453 C GLN A 95 1.156 1.434 -12.297 1.00 0.00 C ATOM 1454 O GLN A 95 0.349 2.354 -12.432 1.00 0.00 O ATOM 1455 CB GLN A 95 2.844 2.363 -10.694 1.00 0.00 C ATOM 1456 CG GLN A 95 3.908 1.673 -9.856 1.00 0.00 C ATOM 1457 CD GLN A 95 4.804 2.656 -9.129 1.00 0.00 C ATOM 1458 OE1 GLN A 95 4.339 3.669 -8.607 1.00 0.00 O ATOM 1459 NE2 GLN A 95 6.099 2.362 -9.093 1.00 0.00 N ATOM 0 H GLN A 95 2.614 3.424 -13.303 1.00 0.00 H new ATOM 0 HA GLN A 95 3.179 0.779 -12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.119 3.410 -10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.899 2.347 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.426 1.020 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.517 1.038 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.441 1.511 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.751 2.987 -8.619 1.00 0.00 H new ATOM 1468 N SER A 96 0.802 0.150 -12.342 1.00 0.00 N ATOM 1469 CA SER A 96 -0.585 -0.250 -12.559 1.00 0.00 C ATOM 1470 C SER A 96 -1.264 -0.680 -11.258 1.00 0.00 C ATOM 1471 O SER A 96 -0.605 -1.124 -10.317 1.00 0.00 O ATOM 1472 CB SER A 96 -0.653 -1.389 -13.578 1.00 0.00 C ATOM 1473 OG SER A 96 -1.885 -1.376 -14.278 1.00 0.00 O ATOM 0 H SER A 96 1.454 -0.627 -12.232 1.00 0.00 H new ATOM 0 HA SER A 96 -1.119 0.619 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.171 -1.298 -14.285 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.531 -2.345 -13.068 1.00 0.00 H new ATOM 0 HG SER A 96 -1.902 -2.113 -14.924 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.590 -0.549 -11.223 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.382 -0.926 -10.053 1.00 0.00 C ATOM 1481 C HIS A 97 -3.146 0.035 -8.886 1.00 0.00 C ATOM 1482 O HIS A 97 -2.804 -0.387 -7.778 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.059 -2.364 -9.633 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.190 -3.320 -9.859 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.945 -3.332 -11.012 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.693 -4.301 -9.072 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.865 -4.277 -10.924 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.732 -4.880 -9.758 1.00 0.00 N ATOM 0 H HIS A 97 -3.142 -0.182 -11.998 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.435 -0.865 -10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.186 -2.709 -10.187 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.791 -2.374 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.342 -4.576 -8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.600 -4.515 -11.678 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.308 -5.651 -9.421 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.339 1.329 -9.134 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.150 2.332 -8.090 1.00 0.00 C ATOM 1499 C VAL A 98 -4.411 3.166 -7.891 1.00 0.00 C ATOM 1500 O VAL A 98 -5.093 3.506 -8.852 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.946 3.255 -8.402 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.273 4.281 -9.468 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.464 3.965 -7.156 1.00 0.00 C ATOM 0 H VAL A 98 -3.623 1.704 -10.039 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.939 1.795 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.154 2.609 -8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.399 4.905 -9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.556 3.771 -10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.100 4.906 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.618 4.606 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.272 4.573 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.154 3.229 -6.414 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.706 3.497 -6.638 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.879 4.299 -6.311 1.00 0.00 C ATOM 1515 C LEU A 99 -5.455 5.704 -5.902 1.00 0.00 C ATOM 1516 O LEU A 99 -4.393 5.887 -5.310 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.678 3.645 -5.182 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.292 2.289 -5.529 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.215 1.218 -5.609 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.351 1.907 -4.504 1.00 0.00 C ATOM 0 H LEU A 99 -4.147 3.221 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.513 4.362 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.024 3.521 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.477 4.323 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.769 2.367 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.672 0.260 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.492 1.486 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.708 1.140 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.778 0.939 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.896 1.847 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.138 2.661 -4.496 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.276 6.699 -6.225 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.943 8.078 -5.884 1.00 0.00 C ATOM 1534 C LEU A 100 -7.123 8.818 -5.254 1.00 0.00 C ATOM 1535 O LEU A 100 -8.248 8.759 -5.749 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.447 8.825 -7.124 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.924 8.963 -7.220 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.527 9.650 -8.513 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.386 9.734 -6.025 1.00 0.00 C ATOM 0 H LEU A 100 -7.163 6.580 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.147 8.046 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.808 8.307 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.890 9.821 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.489 7.964 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.442 9.737 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.881 9.063 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.973 10.644 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.303 9.824 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.832 10.728 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.637 9.203 -5.107 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.842 9.524 -4.158 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.858 10.296 -3.445 1.00 0.00 C ATOM 1553 C ALA A 101 -7.318 11.662 -3.056 1.00 0.00 C ATOM 1554 O ALA A 101 -6.124 11.820 -2.825 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.315 9.563 -2.198 1.00 0.00 C ATOM 0 H ALA A 101 -5.912 9.576 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.708 10.424 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.071 10.156 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.739 8.599 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.464 9.407 -1.535 1.00 0.00 H new ATOM 1561 N THR A 102 -8.202 12.645 -2.974 1.00 0.00 N ATOM 1562 CA THR A 102 -7.802 13.996 -2.606 1.00 0.00 C ATOM 1563 C THR A 102 -8.294 14.349 -1.206 1.00 0.00 C ATOM 1564 O THR A 102 -9.471 14.179 -0.889 1.00 0.00 O ATOM 1565 CB THR A 102 -8.342 14.996 -3.625 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.255 16.319 -3.125 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.785 14.738 -4.001 1.00 0.00 C ATOM 0 H THR A 102 -9.199 12.534 -3.157 1.00 0.00 H new ATOM 0 HA THR A 102 -6.713 14.043 -2.603 1.00 0.00 H new ATOM 0 HB THR A 102 -7.723 14.872 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.344 16.489 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.110 15.482 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.875 13.742 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.410 14.804 -3.111 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.382 14.838 -0.371 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.739 15.203 0.988 1.00 0.00 C ATOM 1577 C GLY A 103 -8.187 16.647 1.106 1.00 0.00 C ATOM 1578 O GLY A 103 -8.569 17.269 0.115 1.00 0.00 O ATOM 0 H GLY A 103 -6.402 14.988 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.538 14.549 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.882 15.038 1.641 1.00 0.00 H new ATOM 1582 N PHE A 104 -8.141 17.179 2.323 1.00 0.00 N ATOM 1583 CA PHE A 104 -8.546 18.558 2.572 1.00 0.00 C ATOM 1584 C PHE A 104 -7.420 19.528 2.229 1.00 0.00 C ATOM 1585 O PHE A 104 -7.535 20.322 1.295 1.00 0.00 O ATOM 1586 CB PHE A 104 -8.955 18.731 4.036 1.00 0.00 C ATOM 1587 CG PHE A 104 -9.868 19.902 4.269 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -11.226 19.800 4.010 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -9.368 21.102 4.749 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -12.068 20.874 4.223 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -10.206 22.181 4.963 1.00 0.00 C ATOM 1592 CZ PHE A 104 -11.557 22.066 4.702 1.00 0.00 C ATOM 0 H PHE A 104 -7.827 16.676 3.153 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.399 18.782 1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.450 17.821 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.058 18.853 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.630 18.870 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.313 21.196 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -13.124 20.783 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.804 23.112 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 104 -12.214 22.906 4.872 1.00 0.00 H new ATOM 1602 N SER A 105 -6.332 19.457 2.989 1.00 0.00 N ATOM 1603 CA SER A 105 -5.185 20.330 2.764 1.00 0.00 C ATOM 1604 C SER A 105 -4.051 19.572 2.082 1.00 0.00 C ATOM 1605 O SER A 105 -4.161 18.375 1.816 1.00 0.00 O ATOM 1606 CB SER A 105 -4.698 20.916 4.092 1.00 0.00 C ATOM 1607 OG SER A 105 -5.672 21.776 4.657 1.00 0.00 O ATOM 0 H SER A 105 -6.220 18.805 3.765 1.00 0.00 H new ATOM 0 HA SER A 105 -5.499 21.143 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.473 20.109 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.771 21.467 3.932 1.00 0.00 H new ATOM 0 HG SER A 105 -5.338 22.136 5.505 1.00 0.00 H new ATOM 1613 N GLU A 106 -2.962 20.278 1.797 1.00 0.00 N ATOM 1614 CA GLU A 106 -1.807 19.671 1.144 1.00 0.00 C ATOM 1615 C GLU A 106 -1.074 18.731 2.099 1.00 0.00 C ATOM 1616 O GLU A 106 -0.855 19.067 3.264 1.00 0.00 O ATOM 1617 CB GLU A 106 -0.852 20.756 0.643 1.00 0.00 C ATOM 1618 CG GLU A 106 -1.388 21.538 -0.545 1.00 0.00 C ATOM 1619 CD GLU A 106 -0.288 22.008 -1.477 1.00 0.00 C ATOM 1620 OE1 GLU A 106 0.692 21.256 -1.668 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -0.407 23.127 -2.018 1.00 0.00 O ATOM 0 H GLU A 106 -2.855 21.270 2.008 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.164 19.089 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.643 21.448 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.096 20.294 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.088 20.914 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.948 22.401 -0.185 1.00 0.00 H new ATOM 1628 N PRO A 107 -0.682 17.535 1.621 1.00 0.00 N ATOM 1629 CA PRO A 107 0.029 16.553 2.445 1.00 0.00 C ATOM 1630 C PRO A 107 1.483 16.943 2.688 1.00 0.00 C ATOM 1631 O PRO A 107 2.260 17.096 1.745 1.00 0.00 O ATOM 1632 CB PRO A 107 -0.051 15.274 1.613 1.00 0.00 C ATOM 1633 CG PRO A 107 -0.136 15.749 0.204 1.00 0.00 C ATOM 1634 CD PRO A 107 -0.899 17.047 0.245 1.00 0.00 C ATOM 0 HA PRO A 107 -0.408 16.460 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.826 14.645 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.923 14.678 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.858 15.895 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.645 15.018 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.525 17.755 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.958 16.896 0.036 1.00 0.00 H new ATOM 1642 N GLY A 108 1.844 17.101 3.956 1.00 0.00 N ATOM 1643 CA GLY A 108 3.205 17.471 4.299 1.00 0.00 C ATOM 1644 C GLY A 108 4.092 16.264 4.533 1.00 0.00 C ATOM 1645 O GLY A 108 5.299 16.316 4.296 1.00 0.00 O ATOM 0 H GLY A 108 1.219 16.980 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.626 18.078 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.195 18.090 5.196 1.00 0.00 H new ATOM 1649 N ASP A 109 3.493 15.174 5.002 1.00 0.00 N ATOM 1650 CA ASP A 109 4.235 13.948 5.269 1.00 0.00 C ATOM 1651 C ASP A 109 3.594 12.759 4.560 1.00 0.00 C ATOM 1652 O ASP A 109 2.372 12.694 4.416 1.00 0.00 O ATOM 1653 CB ASP A 109 4.300 13.685 6.775 1.00 0.00 C ATOM 1654 CG ASP A 109 5.606 14.153 7.387 1.00 0.00 C ATOM 1655 OD1 ASP A 109 6.668 13.914 6.774 1.00 0.00 O ATOM 1656 OD2 ASP A 109 5.568 14.759 8.478 1.00 0.00 O ATOM 0 H ASP A 109 2.495 15.115 5.205 1.00 0.00 H new ATOM 0 HA ASP A 109 5.247 14.074 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.469 14.192 7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.177 12.618 6.961 1.00 0.00 H new ATOM 1661 N ALA A 110 4.426 11.822 4.118 1.00 0.00 N ATOM 1662 CA ALA A 110 3.939 10.636 3.423 1.00 0.00 C ATOM 1663 C ALA A 110 2.986 9.836 4.306 1.00 0.00 C ATOM 1664 O ALA A 110 2.826 10.132 5.490 1.00 0.00 O ATOM 1665 CB ALA A 110 5.108 9.768 2.981 1.00 0.00 C ATOM 0 H ALA A 110 5.439 11.861 4.228 1.00 0.00 H new ATOM 0 HA ALA A 110 3.388 10.961 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.731 8.886 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.750 10.337 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.682 9.459 3.854 1.00 0.00 H new ATOM 1671 N GLY A 111 2.357 8.822 3.722 1.00 0.00 N ATOM 1672 CA GLY A 111 1.428 7.995 4.469 1.00 0.00 C ATOM 1673 C GLY A 111 1.912 6.567 4.617 1.00 0.00 C ATOM 1674 O GLY A 111 3.012 6.229 4.183 1.00 0.00 O ATOM 0 H GLY A 111 2.474 8.558 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.275 8.428 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.460 7.997 3.967 1.00 0.00 H new ATOM 1678 N GLY A 112 1.086 5.726 5.231 1.00 0.00 N ATOM 1679 CA GLY A 112 1.452 4.335 5.424 1.00 0.00 C ATOM 1680 C GLY A 112 0.690 3.403 4.503 1.00 0.00 C ATOM 1681 O GLY A 112 1.079 3.202 3.352 1.00 0.00 O ATOM 0 H GLY A 112 0.170 5.983 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.522 4.217 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.263 4.053 6.460 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.397 2.831 5.010 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.215 1.914 4.224 1.00 0.00 C ATOM 1687 C ILE A 113 -2.676 2.352 4.209 1.00 0.00 C ATOM 1688 O ILE A 113 -3.182 2.894 5.192 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.127 0.473 4.767 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.644 0.412 6.207 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.304 -0.036 4.690 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.630 -0.983 6.795 1.00 0.00 C ATOM 0 H ILE A 113 -0.732 2.986 5.961 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.823 1.935 3.207 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.754 -0.170 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.036 1.067 6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.662 0.800 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.349 -1.054 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.638 -0.027 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.952 0.608 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.009 -0.951 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.261 -1.638 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.610 -1.366 6.799 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.351 2.107 3.091 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.756 2.469 2.949 1.00 0.00 C ATOM 1706 C LEU A 114 -5.646 1.340 3.459 1.00 0.00 C ATOM 1707 O LEU A 114 -5.590 0.219 2.953 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.077 2.778 1.484 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.566 2.888 1.145 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.256 3.876 2.071 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.751 3.300 -0.308 1.00 0.00 C ATOM 0 H LEU A 114 -2.947 1.658 2.269 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.950 3.361 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.590 3.715 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.637 1.999 0.862 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.024 1.909 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.313 3.939 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.154 3.540 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.797 4.858 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.815 3.374 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.277 4.267 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.294 2.555 -0.959 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.455 1.635 4.472 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.340 0.630 5.050 1.00 0.00 C ATOM 1725 C ARG A 115 -8.808 1.015 4.900 1.00 0.00 C ATOM 1726 O ARG A 115 -9.158 2.194 4.899 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.007 0.422 6.529 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.176 1.675 7.374 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.319 1.621 8.628 1.00 0.00 C ATOM 1730 NE ARG A 115 -4.901 1.818 8.332 1.00 0.00 N ATOM 1731 CZ ARG A 115 -3.947 1.848 9.259 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -4.253 1.695 10.542 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -2.683 2.033 8.903 1.00 0.00 N ATOM 0 H ARG A 115 -6.516 2.556 4.907 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.180 -0.300 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.646 -0.365 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.978 0.072 6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.906 2.551 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.224 1.789 7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.653 2.387 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.456 0.658 9.120 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.627 1.940 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.224 1.554 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.517 1.719 11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.443 2.152 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.951 2.056 9.613 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.662 0.002 4.786 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.098 0.212 4.650 1.00 0.00 C ATOM 1749 C CYS A 116 -11.828 -0.358 5.858 1.00 0.00 C ATOM 1750 O CYS A 116 -11.273 -1.164 6.605 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.616 -0.452 3.371 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.234 0.172 2.803 1.00 0.00 S ATOM 0 H CYS A 116 -9.381 -0.978 4.785 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.286 1.284 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -10.884 -0.305 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.693 -1.526 3.539 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.076 0.055 6.046 1.00 0.00 N ATOM 1758 CA GLU A 117 -13.876 -0.430 7.165 1.00 0.00 C ATOM 1759 C GLU A 117 -13.955 -1.956 7.155 1.00 0.00 C ATOM 1760 O GLU A 117 -14.259 -2.578 8.172 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.283 0.171 7.111 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.720 0.812 8.418 1.00 0.00 C ATOM 1763 CD GLU A 117 -14.785 1.918 8.867 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -14.684 2.937 8.150 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -14.155 1.767 9.935 1.00 0.00 O ATOM 0 H GLU A 117 -13.555 0.722 5.441 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.393 -0.117 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.320 0.919 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.993 -0.611 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.725 1.216 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.772 0.048 9.194 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.686 -2.553 5.994 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.732 -4.001 5.847 1.00 0.00 C ATOM 1774 C HIS A 118 -12.371 -4.635 6.135 1.00 0.00 C ATOM 1775 O HIS A 118 -12.298 -5.732 6.689 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.193 -4.367 4.436 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.485 -3.717 4.048 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.603 -2.365 3.803 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.720 -4.240 3.861 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.853 -2.083 3.484 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.551 -3.203 3.511 1.00 0.00 N ATOM 0 H HIS A 118 -13.434 -2.052 5.142 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.444 -4.392 6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.421 -4.079 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.303 -5.449 4.367 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -14.842 -1.688 3.859 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.000 -5.278 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.238 -1.103 3.242 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.296 -3.945 5.759 1.00 0.00 N ATOM 1790 CA GLY A 119 -9.963 -4.477 5.993 1.00 0.00 C ATOM 1791 C GLY A 119 -8.860 -3.591 5.448 1.00 0.00 C ATOM 1792 O GLY A 119 -8.915 -2.367 5.567 1.00 0.00 O ATOM 0 H GLY A 119 -11.323 -3.034 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.816 -4.611 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.887 -5.463 5.535 1.00 0.00 H new ATOM 1796 N VAL A 120 -7.851 -4.223 4.859 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.708 -3.508 4.293 1.00 0.00 C ATOM 1798 C VAL A 120 -6.826 -3.384 2.778 1.00 0.00 C ATOM 1799 O VAL A 120 -7.156 -4.352 2.092 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.375 -4.216 4.618 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.204 -3.277 4.400 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.370 -4.765 6.037 1.00 0.00 C ATOM 0 H VAL A 120 -7.800 -5.237 4.760 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.713 -2.517 4.746 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.271 -5.060 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.274 -3.795 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.186 -2.953 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.309 -2.408 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.417 -5.257 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.508 -3.947 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.181 -5.485 6.152 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.543 -2.194 2.257 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.606 -1.960 0.819 1.00 0.00 C ATOM 1814 C ILE A 121 -5.229 -2.113 0.183 1.00 0.00 C ATOM 1815 O ILE A 121 -5.022 -2.979 -0.668 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.153 -0.557 0.491 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.503 -0.331 1.197 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.263 -0.375 -1.022 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.707 -0.266 0.273 1.00 0.00 C ATOM 0 H ILE A 121 -6.269 -1.380 2.807 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.286 -2.707 0.410 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.459 0.196 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.659 -1.135 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.448 0.598 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.651 0.620 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.278 -0.489 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.939 -1.126 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.610 -0.105 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.581 0.557 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.795 -1.203 -0.276 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.287 -1.266 0.596 1.00 0.00 N ATOM 1832 CA GLY A 122 -2.947 -1.334 0.042 1.00 0.00 C ATOM 1833 C GLY A 122 -1.970 -0.382 0.709 1.00 0.00 C ATOM 1834 O GLY A 122 -2.230 0.124 1.800 1.00 0.00 O ATOM 0 H GLY A 122 -4.428 -0.540 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.573 -2.353 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.991 -1.110 -1.024 1.00 0.00 H new ATOM 1838 N LEU A 123 -0.839 -0.145 0.046 1.00 0.00 N ATOM 1839 CA LEU A 123 0.191 0.746 0.572 1.00 0.00 C ATOM 1840 C LEU A 123 0.388 1.954 -0.341 1.00 0.00 C ATOM 1841 O LEU A 123 0.329 1.837 -1.563 1.00 0.00 O ATOM 1842 CB LEU A 123 1.514 -0.007 0.733 1.00 0.00 C ATOM 1843 CG LEU A 123 1.823 -1.017 -0.374 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.316 -1.303 -0.434 1.00 0.00 C ATOM 1845 CD2 LEU A 123 1.039 -2.304 -0.156 1.00 0.00 C ATOM 0 H LEU A 123 -0.614 -0.559 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.138 1.102 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.325 0.720 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.502 -0.531 1.689 1.00 0.00 H new ATOM 0 HG LEU A 123 1.518 -0.587 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.517 -2.023 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.856 -0.378 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.647 -1.713 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.271 -3.011 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.313 -2.738 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.029 -2.085 -0.165 1.00 0.00 H new ATOM 1857 N VAL A 124 0.611 3.115 0.267 1.00 0.00 N ATOM 1858 CA VAL A 124 0.804 4.354 -0.481 1.00 0.00 C ATOM 1859 C VAL A 124 1.975 4.255 -1.457 1.00 0.00 C ATOM 1860 O VAL A 124 2.956 3.557 -1.201 1.00 0.00 O ATOM 1861 CB VAL A 124 1.043 5.544 0.473 1.00 0.00 C ATOM 1862 CG1 VAL A 124 2.298 5.321 1.304 1.00 0.00 C ATOM 1863 CG2 VAL A 124 1.135 6.849 -0.305 1.00 0.00 C ATOM 0 H VAL A 124 0.663 3.224 1.280 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.111 4.519 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 124 0.193 5.614 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.449 6.171 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.186 4.412 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.159 5.220 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.304 7.674 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 124 1.963 6.794 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.205 7.015 -0.848 1.00 0.00 H new ATOM 1873 N THR A 125 1.866 4.976 -2.573 1.00 0.00 N ATOM 1874 CA THR A 125 2.915 4.989 -3.588 1.00 0.00 C ATOM 1875 C THR A 125 3.291 6.430 -3.942 1.00 0.00 C ATOM 1876 O THR A 125 4.210 6.993 -3.349 1.00 0.00 O ATOM 1877 CB THR A 125 2.477 4.218 -4.840 1.00 0.00 C ATOM 1878 OG1 THR A 125 3.169 4.682 -5.985 1.00 0.00 O ATOM 1879 CG2 THR A 125 0.996 4.321 -5.128 1.00 0.00 C ATOM 0 H THR A 125 1.059 5.559 -2.796 1.00 0.00 H new ATOM 0 HA THR A 125 3.794 4.491 -3.180 1.00 0.00 H new ATOM 0 HB THR A 125 2.715 3.176 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 125 4.069 4.295 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.760 3.752 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 125 0.433 3.920 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.727 5.366 -5.279 1.00 0.00 H new ATOM 1887 N MET A 126 2.578 7.033 -4.897 1.00 0.00 N ATOM 1888 CA MET A 126 2.865 8.412 -5.284 1.00 0.00 C ATOM 1889 C MET A 126 1.775 9.354 -4.781 1.00 0.00 C ATOM 1890 O MET A 126 0.587 9.040 -4.845 1.00 0.00 O ATOM 1891 CB MET A 126 3.005 8.530 -6.805 1.00 0.00 C ATOM 1892 CG MET A 126 3.128 9.966 -7.302 1.00 0.00 C ATOM 1893 SD MET A 126 4.816 10.422 -7.749 1.00 0.00 S ATOM 1894 CE MET A 126 5.751 9.780 -6.359 1.00 0.00 C ATOM 0 H MET A 126 1.811 6.595 -5.407 1.00 0.00 H new ATOM 0 HA MET A 126 3.810 8.700 -4.824 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.883 7.968 -7.124 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.140 8.065 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.481 10.100 -8.169 1.00 0.00 H new ATOM 0 HG3 MET A 126 2.769 10.644 -6.528 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.810 9.992 -6.504 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.408 10.255 -5.440 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.603 8.702 -6.288 1.00 0.00 H new ATOM 1904 N GLY A 127 2.192 10.516 -4.288 1.00 0.00 N ATOM 1905 CA GLY A 127 1.246 11.495 -3.787 1.00 0.00 C ATOM 1906 C GLY A 127 1.379 12.831 -4.491 1.00 0.00 C ATOM 1907 O GLY A 127 2.477 13.376 -4.599 1.00 0.00 O ATOM 0 H GLY A 127 3.171 10.797 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.232 11.117 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.401 11.633 -2.717 1.00 0.00 H new ATOM 1911 N GLY A 128 0.259 13.359 -4.976 1.00 0.00 N ATOM 1912 CA GLY A 128 0.283 14.634 -5.670 1.00 0.00 C ATOM 1913 C GLY A 128 0.298 15.813 -4.717 1.00 0.00 C ATOM 1914 O GLY A 128 0.648 15.667 -3.545 1.00 0.00 O ATOM 0 H GLY A 128 -0.662 12.928 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.163 14.678 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.589 14.707 -6.320 1.00 0.00 H new ATOM 1918 N GLU A 129 -0.084 16.984 -5.217 1.00 0.00 N ATOM 1919 CA GLU A 129 -0.114 18.188 -4.396 1.00 0.00 C ATOM 1920 C GLU A 129 -1.263 18.132 -3.393 1.00 0.00 C ATOM 1921 O GLU A 129 -1.261 18.848 -2.391 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.254 19.429 -5.279 1.00 0.00 C ATOM 1923 CG GLU A 129 0.780 19.508 -6.390 1.00 0.00 C ATOM 1924 CD GLU A 129 1.845 20.553 -6.124 1.00 0.00 C ATOM 1925 OE1 GLU A 129 2.187 20.763 -4.942 1.00 0.00 O ATOM 1926 OE2 GLU A 129 2.336 21.161 -7.098 1.00 0.00 O ATOM 0 H GLU A 129 -0.376 17.124 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 129 0.825 18.247 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.250 19.439 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.173 20.319 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.254 18.534 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.280 19.736 -7.331 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.241 17.272 -3.665 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.378 17.135 -2.777 1.00 0.00 C ATOM 1935 C GLY A 130 -4.089 15.802 -2.936 1.00 0.00 C ATOM 1936 O GLY A 130 -5.238 15.654 -2.517 1.00 0.00 O ATOM 0 H GLY A 130 -2.264 16.668 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.043 17.243 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.083 17.944 -2.969 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.408 14.829 -3.539 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.990 13.506 -3.747 1.00 0.00 C ATOM 1942 C VAL A 131 -3.094 12.420 -3.153 1.00 0.00 C ATOM 1943 O VAL A 131 -1.893 12.627 -2.969 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.227 13.204 -5.244 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.423 12.284 -5.421 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.417 14.487 -6.040 1.00 0.00 C ATOM 0 H VAL A 131 -2.456 14.932 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.955 13.506 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.341 12.698 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.574 12.083 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.241 11.346 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.313 12.762 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.582 14.243 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.280 15.030 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.526 15.108 -5.947 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.684 11.267 -2.846 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.939 10.157 -2.263 1.00 0.00 C ATOM 1958 C VAL A 132 -2.966 8.922 -3.161 1.00 0.00 C ATOM 1959 O VAL A 132 -4.027 8.362 -3.427 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.501 9.780 -0.872 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.587 11.005 0.024 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.868 9.117 -0.996 1.00 0.00 C ATOM 0 H VAL A 132 -4.676 11.078 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.907 10.494 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.815 9.065 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.985 10.717 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.593 11.434 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.245 11.744 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.240 8.862 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.563 9.804 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.780 8.210 -1.594 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.791 8.488 -3.607 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.710 7.309 -4.452 1.00 0.00 C ATOM 1974 C GLY A 133 -1.503 6.050 -3.631 1.00 0.00 C ATOM 1975 O GLY A 133 -0.565 5.973 -2.838 1.00 0.00 O ATOM 0 H GLY A 133 -0.895 8.930 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.624 7.216 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.888 7.423 -5.159 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.384 5.069 -3.800 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.287 3.826 -3.040 1.00 0.00 C ATOM 1981 C PHE A 134 -2.225 2.603 -3.953 1.00 0.00 C ATOM 1982 O PHE A 134 -2.993 2.484 -4.904 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.481 3.701 -2.089 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.283 4.408 -0.778 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.301 3.989 0.103 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.075 5.490 -0.429 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.109 4.636 1.309 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -3.889 6.141 0.777 1.00 0.00 C ATOM 1989 CZ PHE A 134 -2.904 5.713 1.646 1.00 0.00 C ATOM 0 H PHE A 134 -3.168 5.109 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.360 3.862 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.368 4.103 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.673 2.645 -1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.677 3.146 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.846 5.829 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.338 4.300 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.513 6.983 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.756 6.220 2.588 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.318 1.685 -3.636 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.166 0.455 -4.405 1.00 0.00 C ATOM 2001 C ALA A 135 -2.087 -0.621 -3.846 1.00 0.00 C ATOM 2002 O ALA A 135 -1.901 -1.079 -2.720 1.00 0.00 O ATOM 2003 CB ALA A 135 0.282 -0.013 -4.377 1.00 0.00 C ATOM 0 H ALA A 135 -0.675 1.770 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.441 0.649 -5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.379 -0.932 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.922 0.757 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.584 -0.199 -3.346 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.095 -0.999 -4.622 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.068 -1.995 -4.180 1.00 0.00 C ATOM 2011 C ASP A 136 -3.456 -3.388 -4.035 1.00 0.00 C ATOM 2012 O ASP A 136 -2.704 -3.846 -4.896 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.243 -2.048 -5.159 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.581 -2.139 -4.453 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.597 -2.482 -3.252 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.614 -1.868 -5.100 1.00 0.00 O ATOM 0 H ASP A 136 -3.262 -0.633 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.416 -1.687 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.228 -1.159 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.124 -2.908 -5.818 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.816 -4.062 -2.942 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.341 -5.417 -2.671 1.00 0.00 C ATOM 2023 C VAL A 137 -4.291 -6.448 -3.286 1.00 0.00 C ATOM 2024 O VAL A 137 -4.157 -7.651 -3.062 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.226 -5.677 -1.150 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.742 -7.092 -0.865 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.302 -4.662 -0.501 1.00 0.00 C ATOM 0 H VAL A 137 -4.439 -3.687 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.353 -5.514 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.222 -5.568 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.672 -7.243 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.446 -7.809 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.761 -7.239 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.235 -4.863 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.310 -4.736 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.697 -3.658 -0.658 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.255 -5.965 -4.066 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.230 -6.832 -4.712 1.00 0.00 C ATOM 2039 C ARG A 138 -5.597 -7.648 -5.841 1.00 0.00 C ATOM 2040 O ARG A 138 -6.245 -8.521 -6.419 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.392 -5.998 -5.255 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.972 -5.023 -4.239 1.00 0.00 C ATOM 2043 CD ARG A 138 -8.972 -5.706 -3.321 1.00 0.00 C ATOM 2044 NE ARG A 138 -9.973 -6.463 -4.071 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.964 -5.902 -4.759 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -11.092 -4.581 -4.795 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.829 -6.664 -5.415 1.00 0.00 N ATOM 0 H ARG A 138 -5.380 -4.972 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.603 -7.532 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.051 -5.440 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.182 -6.668 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.166 -4.592 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.459 -4.199 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -8.443 -6.376 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.470 -4.957 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 138 -9.908 -7.481 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -10.429 -3.990 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -11.854 -4.157 -5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.734 -7.679 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.589 -6.235 -5.943 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.335 -7.363 -6.157 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.636 -8.077 -7.220 1.00 0.00 C ATOM 2063 C ASP A 139 -2.769 -9.202 -6.657 1.00 0.00 C ATOM 2064 O ASP A 139 -1.951 -9.781 -7.372 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.773 -7.108 -8.030 1.00 0.00 C ATOM 2066 CG ASP A 139 -2.929 -7.306 -9.526 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -4.058 -7.602 -9.971 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -1.922 -7.165 -10.251 1.00 0.00 O ATOM 0 H ASP A 139 -3.779 -6.645 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.387 -8.522 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -3.042 -6.084 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.727 -7.242 -7.756 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.948 -9.506 -5.374 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.177 -10.559 -4.725 1.00 0.00 C ATOM 2075 C LEU A 140 -2.663 -10.777 -3.297 1.00 0.00 C ATOM 2076 O LEU A 140 -1.884 -10.737 -2.348 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.675 -10.225 -4.746 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.233 -8.940 -4.015 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.361 -7.927 -3.904 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.308 -9.272 -2.635 1.00 0.00 C ATOM 0 H LEU A 140 -3.619 -9.038 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.326 -11.485 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.135 -11.066 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.359 -10.148 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 140 0.558 -8.487 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.003 -7.039 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.700 -7.649 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.190 -8.365 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.615 -8.354 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.468 -9.763 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.166 -9.937 -2.731 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.965 -11.001 -3.156 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.571 -11.216 -1.849 1.00 0.00 C ATOM 2094 C LEU A 141 -4.175 -12.564 -1.249 1.00 0.00 C ATOM 2095 O LEU A 141 -4.378 -12.799 -0.061 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.094 -11.119 -1.944 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.736 -10.087 -1.011 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.077 -10.103 0.362 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.668 -8.697 -1.629 1.00 0.00 C ATOM 0 H LEU A 141 -4.623 -11.038 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.197 -10.434 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.364 -10.875 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.520 -12.098 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.784 -10.355 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.553 -9.361 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.188 -11.092 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.018 -9.868 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.128 -7.976 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.626 -8.424 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.201 -8.695 -2.580 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.621 -13.452 -2.073 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.216 -14.775 -1.604 1.00 0.00 C ATOM 2113 C TRP A 142 -2.273 -14.676 -0.404 1.00 0.00 C ATOM 2114 O TRP A 142 -1.053 -14.739 -0.547 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.557 -15.580 -2.730 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.411 -14.881 -3.397 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.480 -13.822 -4.257 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.024 -15.207 -3.270 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.217 -13.465 -4.664 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.693 -14.299 -4.071 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.684 -16.174 -2.553 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 2.079 -14.331 -4.174 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 2.062 -16.205 -2.656 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.748 -15.288 -3.460 1.00 0.00 C ATOM 0 H TRP A 142 -3.443 -13.281 -3.063 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.118 -15.297 -1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.203 -16.528 -2.324 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.311 -15.816 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.392 -13.337 -4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 142 0.006 -12.703 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 142 0.164 -16.885 -1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.609 -13.625 -4.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.619 -16.950 -2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.825 -15.336 -3.518 1.00 0.00 H new ATOM 2135 N LEU A 143 -2.863 -14.531 0.779 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.107 -14.433 2.025 1.00 0.00 C ATOM 2137 C LEU A 143 -2.942 -14.969 3.185 1.00 0.00 C ATOM 2138 O LEU A 143 -2.450 -15.729 4.019 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.698 -12.981 2.310 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.841 -12.304 1.235 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.725 -11.624 0.206 1.00 0.00 C ATOM 2142 CD2 LEU A 143 0.105 -11.293 1.867 1.00 0.00 C ATOM 0 H LEU A 143 -3.874 -14.478 0.902 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.202 -15.031 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.603 -12.390 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.151 -12.956 3.252 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.247 -13.069 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.102 -11.148 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.369 -12.365 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.340 -10.870 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.706 -10.822 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.473 -10.531 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.761 -11.801 2.574 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.211 -14.571 3.224 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.126 -15.012 4.273 1.00 0.00 C ATOM 2156 C GLU A 144 -6.576 -14.927 3.795 1.00 0.00 C ATOM 2157 O GLU A 144 -6.838 -14.830 2.596 1.00 0.00 O ATOM 2158 CB GLU A 144 -4.931 -14.171 5.540 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.558 -12.787 5.465 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.352 -11.984 6.733 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -5.702 -12.491 7.820 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -4.842 -10.849 6.641 1.00 0.00 O ATOM 0 H GLU A 144 -4.630 -13.942 2.539 1.00 0.00 H new ATOM 0 HA GLU A 144 -4.903 -16.053 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -5.357 -14.706 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -3.863 -14.065 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -5.131 -12.244 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.626 -12.886 5.272 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.514 -14.963 4.737 1.00 0.00 N ATOM 2170 CA ASP A 145 -8.933 -14.888 4.406 1.00 0.00 C ATOM 2171 C ASP A 145 -9.277 -13.544 3.770 1.00 0.00 C ATOM 2172 O ASP A 145 -8.701 -12.514 4.119 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.782 -15.103 5.660 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.058 -16.570 5.926 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -9.117 -17.382 5.810 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.216 -16.905 6.253 1.00 0.00 O ATOM 0 H ASP A 145 -7.317 -15.044 5.735 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.153 -15.676 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.271 -14.670 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.728 -14.572 5.551 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.222 -13.565 2.834 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.649 -12.350 2.147 1.00 0.00 C ATOM 2183 C ASP A 146 -12.011 -11.887 2.656 1.00 0.00 C ATOM 2184 O ASP A 146 -12.805 -12.692 3.143 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.710 -12.592 0.637 1.00 0.00 C ATOM 2186 CG ASP A 146 -9.356 -12.939 0.051 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -8.718 -13.889 0.551 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -8.932 -12.260 -0.909 1.00 0.00 O ATOM 0 H ASP A 146 -10.707 -14.411 2.534 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.920 -11.567 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.410 -13.401 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.098 -11.700 0.145 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.279 -10.588 2.542 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.549 -10.032 2.994 1.00 0.00 C ATOM 2195 C ALA A 147 -14.649 -10.273 1.966 1.00 0.00 C ATOM 2196 O ALA A 147 -14.553 -9.829 0.823 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.404 -8.545 3.276 1.00 0.00 C ATOM 0 H ALA A 147 -11.636 -9.905 2.142 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.832 -10.539 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.360 -8.144 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.653 -8.393 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.095 -8.031 2.366 1.00 0.00 H new ATOM 2203 N MET A 148 -15.693 -10.984 2.382 1.00 0.00 N ATOM 2204 CA MET A 148 -16.812 -11.287 1.498 1.00 0.00 C ATOM 2205 C MET A 148 -18.137 -10.888 2.139 1.00 0.00 C ATOM 2206 O MET A 148 -18.360 -11.125 3.327 1.00 0.00 O ATOM 2207 CB MET A 148 -16.828 -12.777 1.155 1.00 0.00 C ATOM 2208 CG MET A 148 -16.656 -13.682 2.364 1.00 0.00 C ATOM 2209 SD MET A 148 -16.731 -15.432 1.938 1.00 0.00 S ATOM 2210 CE MET A 148 -15.114 -15.983 2.475 1.00 0.00 C ATOM 0 H MET A 148 -15.787 -11.361 3.325 1.00 0.00 H new ATOM 0 HA MET A 148 -16.684 -10.710 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.770 -13.018 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 148 -16.032 -12.985 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.699 -13.469 2.839 1.00 0.00 H new ATOM 0 HG3 MET A 148 -17.432 -13.456 3.095 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.009 -17.050 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 148 -14.344 -15.435 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 148 -15.004 -15.800 3.544 1.00 0.00 H new ATOM 2220 N GLU A 149 -19.012 -10.280 1.346 1.00 0.00 N ATOM 2221 CA GLU A 149 -20.317 -9.849 1.836 1.00 0.00 C ATOM 2222 C GLU A 149 -21.426 -10.285 0.883 1.00 0.00 C ATOM 2223 O GLU A 149 -21.875 -9.508 0.039 1.00 0.00 O ATOM 2224 CB GLU A 149 -20.340 -8.328 2.011 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.232 -7.880 3.461 1.00 0.00 C ATOM 2226 CD GLU A 149 -19.106 -6.890 3.684 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -18.005 -7.108 3.135 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -19.326 -5.895 4.407 1.00 0.00 O ATOM 0 H GLU A 149 -18.842 -10.074 0.362 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.491 -10.320 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.518 -7.893 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -21.264 -7.936 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -21.175 -7.427 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -20.075 -8.752 4.096 1.00 0.00 H new ATOM 2235 N GLN A 150 -21.863 -11.532 1.024 1.00 0.00 N ATOM 2236 CA GLN A 150 -22.920 -12.071 0.176 1.00 0.00 C ATOM 2237 C GLN A 150 -23.958 -12.816 1.009 1.00 0.00 C ATOM 2238 O GLN A 150 -23.555 -13.566 1.923 1.00 0.00 O ATOM 2239 CB GLN A 150 -22.329 -13.006 -0.881 1.00 0.00 C ATOM 2240 CG GLN A 150 -21.835 -12.284 -2.123 1.00 0.00 C ATOM 2241 CD GLN A 150 -22.928 -12.083 -3.154 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -24.028 -12.621 -3.022 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -22.631 -11.307 -4.190 1.00 0.00 N ATOM 2244 OXT GLN A 150 -25.165 -12.644 0.740 1.00 0.00 O ATOM 0 H GLN A 150 -21.502 -12.188 1.717 1.00 0.00 H new ATOM 0 HA GLN A 150 -23.412 -11.236 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -21.501 -13.562 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -23.084 -13.736 -1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -21.428 -11.314 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -21.020 -12.853 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -21.707 -10.881 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -23.327 -11.137 -4.916 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.633 -1.539 2.136 1.00 0.00 ZN