USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 907 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 87 TYR OH : rot -130:sc= -2.94! USER MOD Set 1.2: A 111 THR OG1 : rot 111:sc= 1.04 USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -4.35! C(o=-8.9!,f=-6.6!) USER MOD Set 2.2: A 108 GLN :FLIP amide:sc= 0.972 F(o=-11!,f=-6.6) USER MOD Set 2.3: A 119 ASN :FLIP amide:sc= -3.24 F(o=-11!,f=-6.6) USER MOD Set 3.1: A 45 SER OG : rot 40:sc= -4.64! USER MOD Set 3.2: A 95 ASN : amide:sc= -11.7! C(o=-16!,f=-25!) USER MOD Set 4.1: A 18 ASN :FLIP amide:sc= 0 X(o=-2,f=-1.5) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -1.54! C(o=-1.8!,f=-1.5!) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0774 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -59:sc= 1.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 26 THR OG1 : rot 38:sc= 0.484 USER MOD Single : A 28 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.587 K(o=-0.59,f=-1.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.96! C(o=-3!,f=-4.1!) USER MOD Single : A 48 THR OG1 : rot -54:sc= 0.932 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -147:sc= -0.697 (180deg=-2.36!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -2.87 X(o=-2.9,f=-3.4!) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.822 F(o=-1.8!,f=-0.82) USER MOD Single : A 67 GLN : amide:sc= -0.0954 X(o=-0.095,f=-0.22) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -8.22! C(o=-8.2!,f=-13!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 76 THR OG1 : rot 38:sc= 0.169 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -135:sc= 0.276 USER MOD Single : A 92 MET CE :methyl -111:sc= -4.82! (180deg=-7.35!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -153:sc= 1.14 USER MOD Single : A 103 SER OG : rot 90:sc= -0.0883 USER MOD Single : A 106 SER OG : rot 160:sc= -0.231 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.235) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.658 -0.132 8.673 1.00 0.00 N ATOM 2 CA GLY A 1 -34.572 -1.153 8.188 1.00 0.00 C ATOM 3 C GLY A 1 -34.983 -0.878 6.740 1.00 0.00 C ATOM 4 O GLY A 1 -34.315 -0.124 6.033 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.945 -0.569 9.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.184 0.322 7.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.189 0.583 9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.098 -2.132 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.458 -1.184 8.822 1.00 0.00 H new ATOM 8 N SER A 2 -36.081 -1.503 6.341 1.00 0.00 N ATOM 9 CA SER A 2 -36.590 -1.334 4.991 1.00 0.00 C ATOM 10 C SER A 2 -37.963 -1.996 4.862 1.00 0.00 C ATOM 11 O SER A 2 -38.942 -1.338 4.513 1.00 0.00 O ATOM 12 CB SER A 2 -35.621 -1.918 3.960 1.00 0.00 C ATOM 13 OG SER A 2 -35.980 -1.562 2.628 1.00 0.00 O ATOM 0 H SER A 2 -36.632 -2.128 6.929 1.00 0.00 H new ATOM 0 HA SER A 2 -36.689 -0.266 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.612 -1.564 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.604 -3.004 4.053 1.00 0.00 H new ATOM 0 HG SER A 2 -35.337 -1.952 2.000 1.00 0.00 H new ATOM 19 N SER A 3 -37.991 -3.288 5.152 1.00 0.00 N ATOM 20 CA SER A 3 -39.229 -4.046 5.073 1.00 0.00 C ATOM 21 C SER A 3 -39.809 -3.955 3.661 1.00 0.00 C ATOM 22 O SER A 3 -39.467 -3.049 2.902 1.00 0.00 O ATOM 23 CB SER A 3 -40.248 -3.545 6.099 1.00 0.00 C ATOM 24 OG SER A 3 -40.933 -2.380 5.646 1.00 0.00 O ATOM 0 H SER A 3 -37.177 -3.830 5.442 1.00 0.00 H new ATOM 0 HA SER A 3 -39.007 -5.088 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.972 -4.333 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.739 -3.325 7.037 1.00 0.00 H new ATOM 0 HG SER A 3 -40.284 -1.669 5.462 1.00 0.00 H new ATOM 30 N GLY A 4 -40.678 -4.906 3.350 1.00 0.00 N ATOM 31 CA GLY A 4 -41.309 -4.945 2.041 1.00 0.00 C ATOM 32 C GLY A 4 -41.512 -6.387 1.573 1.00 0.00 C ATOM 33 O GLY A 4 -41.079 -7.326 2.238 1.00 0.00 O ATOM 0 H GLY A 4 -40.960 -5.655 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -42.271 -4.433 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.692 -4.408 1.320 1.00 0.00 H new ATOM 37 N SER A 5 -42.172 -6.517 0.431 1.00 0.00 N ATOM 38 CA SER A 5 -42.438 -7.829 -0.134 1.00 0.00 C ATOM 39 C SER A 5 -41.125 -8.494 -0.554 1.00 0.00 C ATOM 40 O SER A 5 -40.084 -7.842 -0.604 1.00 0.00 O ATOM 41 CB SER A 5 -43.389 -7.731 -1.328 1.00 0.00 C ATOM 42 OG SER A 5 -44.602 -7.062 -0.992 1.00 0.00 O ATOM 0 H SER A 5 -42.530 -5.735 -0.118 1.00 0.00 H new ATOM 0 HA SER A 5 -42.919 -8.440 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 5 -42.895 -7.200 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 5 -43.617 -8.732 -1.693 1.00 0.00 H new ATOM 0 HG SER A 5 -45.181 -7.019 -1.781 1.00 0.00 H new ATOM 48 N SER A 6 -41.219 -9.783 -0.844 1.00 0.00 N ATOM 49 CA SER A 6 -40.052 -10.544 -1.257 1.00 0.00 C ATOM 50 C SER A 6 -40.431 -11.519 -2.374 1.00 0.00 C ATOM 51 O SER A 6 -40.031 -11.339 -3.523 1.00 0.00 O ATOM 52 CB SER A 6 -39.441 -11.300 -0.076 1.00 0.00 C ATOM 53 OG SER A 6 -38.209 -11.928 -0.424 1.00 0.00 O ATOM 0 H SER A 6 -42.085 -10.320 -0.801 1.00 0.00 H new ATOM 0 HA SER A 6 -39.304 -9.846 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -39.275 -10.609 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 -40.146 -12.054 0.276 1.00 0.00 H new ATOM 0 HG SER A 6 -37.850 -12.399 0.357 1.00 0.00 H new ATOM 59 N GLY A 7 -41.199 -12.530 -1.996 1.00 0.00 N ATOM 60 CA GLY A 7 -41.637 -13.534 -2.951 1.00 0.00 C ATOM 61 C GLY A 7 -40.451 -14.345 -3.477 1.00 0.00 C ATOM 62 O GLY A 7 -39.603 -14.785 -2.702 1.00 0.00 O ATOM 0 H GLY A 7 -41.529 -12.676 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -42.357 -14.201 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -42.149 -13.051 -3.783 1.00 0.00 H new ATOM 66 N PRO A 8 -40.429 -14.524 -4.825 1.00 0.00 N ATOM 67 CA PRO A 8 -39.361 -15.274 -5.463 1.00 0.00 C ATOM 68 C PRO A 8 -38.070 -14.454 -5.516 1.00 0.00 C ATOM 69 O PRO A 8 -38.092 -13.278 -5.875 1.00 0.00 O ATOM 70 CB PRO A 8 -39.897 -15.627 -6.841 1.00 0.00 C ATOM 71 CG PRO A 8 -41.051 -14.671 -7.096 1.00 0.00 C ATOM 72 CD PRO A 8 -41.416 -14.017 -5.774 1.00 0.00 C ATOM 0 HA PRO A 8 -39.093 -16.175 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -39.123 -15.517 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -40.233 -16.663 -6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -40.766 -13.916 -7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -41.907 -15.207 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -41.375 -12.930 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -42.429 -14.279 -5.469 1.00 0.00 H new ATOM 80 N THR A 9 -36.976 -15.108 -5.152 1.00 0.00 N ATOM 81 CA THR A 9 -35.679 -14.454 -5.153 1.00 0.00 C ATOM 82 C THR A 9 -34.591 -15.429 -5.609 1.00 0.00 C ATOM 83 O THR A 9 -33.634 -15.682 -4.879 1.00 0.00 O ATOM 84 CB THR A 9 -35.436 -13.883 -3.755 1.00 0.00 C ATOM 85 OG1 THR A 9 -34.356 -12.970 -3.936 1.00 0.00 O ATOM 86 CG2 THR A 9 -34.882 -14.928 -2.784 1.00 0.00 C ATOM 0 H THR A 9 -36.962 -16.084 -4.855 1.00 0.00 H new ATOM 0 HA THR A 9 -35.652 -13.629 -5.865 1.00 0.00 H new ATOM 0 HB THR A 9 -36.368 -13.479 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 -34.133 -12.552 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 9 -34.728 -14.471 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 9 -35.591 -15.751 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 9 -33.932 -15.308 -3.161 1.00 0.00 H new ATOM 94 N PRO A 10 -34.779 -15.963 -6.845 1.00 0.00 N ATOM 95 CA PRO A 10 -33.825 -16.905 -7.407 1.00 0.00 C ATOM 96 C PRO A 10 -32.556 -16.187 -7.872 1.00 0.00 C ATOM 97 O PRO A 10 -31.486 -16.376 -7.297 1.00 0.00 O ATOM 98 CB PRO A 10 -34.570 -17.590 -8.541 1.00 0.00 C ATOM 99 CG PRO A 10 -35.748 -16.687 -8.872 1.00 0.00 C ATOM 100 CD PRO A 10 -35.901 -15.686 -7.738 1.00 0.00 C ATOM 0 HA PRO A 10 -33.477 -17.637 -6.678 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -33.924 -17.723 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -34.910 -18.582 -8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.579 -16.171 -9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.659 -17.275 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -35.869 -14.661 -8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -36.855 -15.811 -7.226 1.00 0.00 H new ATOM 108 N ALA A 11 -32.718 -15.380 -8.910 1.00 0.00 N ATOM 109 CA ALA A 11 -31.599 -14.633 -9.459 1.00 0.00 C ATOM 110 C ALA A 11 -30.804 -14.000 -8.316 1.00 0.00 C ATOM 111 O ALA A 11 -31.383 -13.428 -7.395 1.00 0.00 O ATOM 112 CB ALA A 11 -32.118 -13.594 -10.455 1.00 0.00 C ATOM 0 H ALA A 11 -33.607 -15.227 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 11 -30.924 -15.295 -10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.279 -13.034 -10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -32.649 -14.098 -11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -32.797 -12.909 -9.946 1.00 0.00 H new ATOM 118 N PRO A 12 -29.453 -14.127 -8.416 1.00 0.00 N ATOM 119 CA PRO A 12 -28.573 -13.574 -7.401 1.00 0.00 C ATOM 120 C PRO A 12 -28.474 -12.053 -7.531 1.00 0.00 C ATOM 121 O PRO A 12 -29.250 -11.437 -8.260 1.00 0.00 O ATOM 122 CB PRO A 12 -27.241 -14.276 -7.611 1.00 0.00 C ATOM 123 CG PRO A 12 -27.289 -14.849 -9.018 1.00 0.00 C ATOM 124 CD PRO A 12 -28.732 -14.799 -9.493 1.00 0.00 C ATOM 0 HA PRO A 12 -28.941 -13.741 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.410 -13.579 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.095 -15.065 -6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.647 -14.275 -9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.920 -15.875 -9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -28.821 -14.252 -10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.126 -15.800 -9.669 1.00 0.00 H new ATOM 132 N VAL A 13 -27.512 -11.491 -6.814 1.00 0.00 N ATOM 133 CA VAL A 13 -27.301 -10.054 -6.840 1.00 0.00 C ATOM 134 C VAL A 13 -25.810 -9.758 -6.669 1.00 0.00 C ATOM 135 O VAL A 13 -25.148 -10.356 -5.822 1.00 0.00 O ATOM 136 CB VAL A 13 -28.170 -9.378 -5.778 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.398 -7.903 -6.114 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.501 -10.114 -5.609 1.00 0.00 C ATOM 0 H VAL A 13 -26.870 -12.005 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.606 -9.641 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.637 -9.427 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.019 -7.446 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.439 -7.388 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.899 -7.823 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.100 -9.613 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.041 -10.111 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.312 -11.143 -5.302 1.00 0.00 H new ATOM 148 N TYR A 14 -25.324 -8.836 -7.487 1.00 0.00 N ATOM 149 CA TYR A 14 -23.923 -8.454 -7.436 1.00 0.00 C ATOM 150 C TYR A 14 -23.770 -6.983 -7.041 1.00 0.00 C ATOM 151 O TYR A 14 -24.752 -6.319 -6.714 1.00 0.00 O ATOM 152 CB TYR A 14 -23.382 -8.647 -8.854 1.00 0.00 C ATOM 153 CG TYR A 14 -23.780 -9.978 -9.496 1.00 0.00 C ATOM 154 CD1 TYR A 14 -23.087 -11.129 -9.184 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.833 -10.026 -10.387 1.00 0.00 C ATOM 156 CE1 TYR A 14 -23.462 -12.381 -9.789 1.00 0.00 C ATOM 157 CE2 TYR A 14 -25.209 -11.278 -10.991 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.504 -12.394 -10.662 1.00 0.00 C ATOM 159 OH TYR A 14 -24.859 -13.577 -11.233 1.00 0.00 O ATOM 0 H TYR A 14 -25.875 -8.342 -8.189 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.388 -9.053 -6.699 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.739 -7.831 -9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.294 -8.578 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.263 -11.091 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.375 -9.124 -10.631 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.927 -13.289 -9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -26.032 -11.330 -11.689 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.620 -13.435 -11.834 1.00 0.00 H new ATOM 169 N ASP A 15 -22.530 -6.519 -7.084 1.00 0.00 N ATOM 170 CA ASP A 15 -22.235 -5.139 -6.734 1.00 0.00 C ATOM 171 C ASP A 15 -20.732 -4.989 -6.494 1.00 0.00 C ATOM 172 O ASP A 15 -20.314 -4.445 -5.473 1.00 0.00 O ATOM 173 CB ASP A 15 -22.962 -4.729 -5.452 1.00 0.00 C ATOM 174 CG ASP A 15 -24.298 -4.014 -5.667 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.306 -3.056 -6.470 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.280 -4.442 -5.023 1.00 0.00 O ATOM 0 H ASP A 15 -21.718 -7.073 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.567 -4.504 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.137 -5.621 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.307 -4.077 -4.873 1.00 0.00 H new ATOM 181 N VAL A 16 -19.960 -5.479 -7.453 1.00 0.00 N ATOM 182 CA VAL A 16 -18.511 -5.406 -7.358 1.00 0.00 C ATOM 183 C VAL A 16 -18.067 -5.920 -5.987 1.00 0.00 C ATOM 184 O VAL A 16 -18.873 -6.006 -5.062 1.00 0.00 O ATOM 185 CB VAL A 16 -18.040 -3.979 -7.643 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.359 -3.573 -9.084 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.651 -2.990 -6.647 1.00 0.00 C ATOM 0 H VAL A 16 -20.310 -5.928 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.046 -6.044 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.957 -3.953 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.014 -2.554 -9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.855 -4.251 -9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.436 -3.624 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.300 -1.983 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.738 -3.021 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.351 -3.261 -5.635 1.00 0.00 H new ATOM 197 N PRO A 17 -16.753 -6.256 -5.898 1.00 0.00 N ATOM 198 CA PRO A 17 -16.192 -6.759 -4.655 1.00 0.00 C ATOM 199 C PRO A 17 -16.008 -5.629 -3.640 1.00 0.00 C ATOM 200 O PRO A 17 -15.258 -4.685 -3.885 1.00 0.00 O ATOM 201 CB PRO A 17 -14.882 -7.419 -5.054 1.00 0.00 C ATOM 202 CG PRO A 17 -14.532 -6.859 -6.423 1.00 0.00 C ATOM 203 CD PRO A 17 -15.769 -6.167 -6.973 1.00 0.00 C ATOM 0 HA PRO A 17 -16.847 -7.473 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.098 -7.199 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.987 -8.503 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.703 -6.156 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.212 -7.658 -7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.560 -5.129 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.127 -6.657 -7.879 1.00 0.00 H new ATOM 211 N ASN A 18 -16.704 -5.763 -2.521 1.00 0.00 N ATOM 212 CA ASN A 18 -16.627 -4.765 -1.467 1.00 0.00 C ATOM 213 C ASN A 18 -15.170 -4.335 -1.284 1.00 0.00 C ATOM 214 O ASN A 18 -14.256 -5.011 -1.754 1.00 0.00 O ATOM 215 CB ASN A 18 -17.124 -5.331 -0.136 1.00 0.00 C ATOM 216 CG ASN A 18 -18.609 -5.026 0.069 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.392 -5.462 -0.914 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.018 -4.434 1.054 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.324 -6.548 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.252 -3.920 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.964 -6.409 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.545 -4.905 0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.363 -4.126 1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.015 -4.247 1.159 1.00 0.00 H new ATOM 225 N PRO A 19 -14.995 -3.184 -0.581 1.00 0.00 N ATOM 226 CA PRO A 19 -13.664 -2.656 -0.330 1.00 0.00 C ATOM 227 C PRO A 19 -12.948 -3.467 0.752 1.00 0.00 C ATOM 228 O PRO A 19 -13.584 -3.981 1.671 1.00 0.00 O ATOM 229 CB PRO A 19 -13.885 -1.205 0.064 1.00 0.00 C ATOM 230 CG PRO A 19 -15.347 -1.101 0.469 1.00 0.00 C ATOM 231 CD PRO A 19 -16.054 -2.358 -0.010 1.00 0.00 C ATOM 0 HA PRO A 19 -13.013 -2.724 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.230 -0.920 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.661 -0.536 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.437 -1.001 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.803 -0.215 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.554 -2.869 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.818 -2.125 -0.752 1.00 0.00 H new ATOM 239 N PRO A 20 -11.599 -3.558 0.604 1.00 0.00 N ATOM 240 CA PRO A 20 -10.790 -4.297 1.558 1.00 0.00 C ATOM 241 C PRO A 20 -10.628 -3.515 2.862 1.00 0.00 C ATOM 242 O PRO A 20 -10.968 -2.334 2.929 1.00 0.00 O ATOM 243 CB PRO A 20 -9.470 -4.543 0.845 1.00 0.00 C ATOM 244 CG PRO A 20 -9.417 -3.539 -0.294 1.00 0.00 C ATOM 245 CD PRO A 20 -10.812 -2.962 -0.471 1.00 0.00 C ATOM 0 HA PRO A 20 -11.248 -5.239 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.628 -4.408 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.414 -5.564 0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.702 -2.747 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.084 -4.021 -1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.803 -1.874 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.223 -3.213 -1.449 1.00 0.00 H new ATOM 253 N PHE A 21 -10.110 -4.204 3.868 1.00 0.00 N ATOM 254 CA PHE A 21 -9.900 -3.589 5.168 1.00 0.00 C ATOM 255 C PHE A 21 -8.726 -4.242 5.900 1.00 0.00 C ATOM 256 O PHE A 21 -8.123 -5.187 5.394 1.00 0.00 O ATOM 257 CB PHE A 21 -11.178 -3.809 5.979 1.00 0.00 C ATOM 258 CG PHE A 21 -11.622 -5.271 6.055 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.152 -6.074 7.047 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.488 -5.768 5.131 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.565 -7.431 7.118 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.900 -7.125 5.201 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.430 -7.928 6.193 1.00 0.00 C ATOM 0 H PHE A 21 -9.829 -5.183 3.809 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.673 -2.530 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.023 -3.434 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.982 -3.218 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.465 -5.680 7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.862 -5.130 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.192 -8.068 7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.587 -7.519 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.743 -8.960 6.246 1.00 0.00 H new ATOM 273 N ASP A 22 -8.436 -3.711 7.079 1.00 0.00 N ATOM 274 CA ASP A 22 -7.345 -4.230 7.886 1.00 0.00 C ATOM 275 C ASP A 22 -6.025 -4.036 7.137 1.00 0.00 C ATOM 276 O ASP A 22 -5.095 -4.825 7.296 1.00 0.00 O ATOM 277 CB ASP A 22 -7.521 -5.727 8.153 1.00 0.00 C ATOM 278 CG ASP A 22 -7.437 -6.135 9.625 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.153 -5.238 10.447 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.660 -7.335 9.895 1.00 0.00 O ATOM 0 H ASP A 22 -8.938 -2.926 7.495 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.342 -3.692 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.488 -6.040 7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.759 -6.272 7.596 1.00 0.00 H new ATOM 285 N LEU A 23 -5.986 -2.981 6.336 1.00 0.00 N ATOM 286 CA LEU A 23 -4.796 -2.673 5.562 1.00 0.00 C ATOM 287 C LEU A 23 -3.621 -2.438 6.513 1.00 0.00 C ATOM 288 O LEU A 23 -3.744 -1.695 7.486 1.00 0.00 O ATOM 289 CB LEU A 23 -5.062 -1.504 4.612 1.00 0.00 C ATOM 290 CG LEU A 23 -5.155 -1.855 3.126 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.421 -2.662 2.831 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.061 -0.598 2.258 1.00 0.00 C ATOM 0 H LEU A 23 -6.760 -2.329 6.207 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.527 -3.516 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.994 -1.024 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.268 -0.768 4.742 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.304 -2.487 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.462 -2.898 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.406 -3.587 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.298 -2.077 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.130 -0.876 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.878 0.079 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.108 -0.100 2.440 1.00 0.00 H new ATOM 304 N GLU A 24 -2.507 -3.084 6.199 1.00 0.00 N ATOM 305 CA GLU A 24 -1.311 -2.954 7.014 1.00 0.00 C ATOM 306 C GLU A 24 -0.072 -3.337 6.203 1.00 0.00 C ATOM 307 O GLU A 24 -0.144 -4.190 5.319 1.00 0.00 O ATOM 308 CB GLU A 24 -1.419 -3.800 8.284 1.00 0.00 C ATOM 309 CG GLU A 24 -1.512 -2.913 9.528 1.00 0.00 C ATOM 310 CD GLU A 24 -2.383 -3.566 10.603 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.055 -4.712 10.980 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.357 -2.905 11.023 1.00 0.00 O ATOM 0 H GLU A 24 -2.408 -3.699 5.391 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.213 -1.912 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.298 -4.442 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.551 -4.455 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.513 -2.731 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.929 -1.943 9.257 1.00 0.00 H new ATOM 319 N LEU A 25 1.035 -2.689 6.532 1.00 0.00 N ATOM 320 CA LEU A 25 2.289 -2.951 5.845 1.00 0.00 C ATOM 321 C LEU A 25 3.180 -3.821 6.734 1.00 0.00 C ATOM 322 O LEU A 25 3.301 -3.571 7.932 1.00 0.00 O ATOM 323 CB LEU A 25 2.946 -1.640 5.410 1.00 0.00 C ATOM 324 CG LEU A 25 2.202 -0.840 4.339 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.859 -1.722 3.136 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.963 -0.160 4.923 1.00 0.00 C ATOM 0 H LEU A 25 1.090 -1.982 7.266 1.00 0.00 H new ATOM 0 HA LEU A 25 2.111 -3.511 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.066 -1.008 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.946 -1.864 5.039 1.00 0.00 H new ATOM 0 HG LEU A 25 2.863 -0.050 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.331 -1.129 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.777 -2.118 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.225 -2.548 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.453 0.402 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.289 -0.916 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.263 0.520 5.721 1.00 0.00 H new ATOM 338 N THR A 26 3.781 -4.825 6.113 1.00 0.00 N ATOM 339 CA THR A 26 4.658 -5.733 6.832 1.00 0.00 C ATOM 340 C THR A 26 5.734 -6.289 5.897 1.00 0.00 C ATOM 341 O THR A 26 5.428 -7.033 4.966 1.00 0.00 O ATOM 342 CB THR A 26 3.791 -6.817 7.474 1.00 0.00 C ATOM 343 OG1 THR A 26 3.007 -7.319 6.396 1.00 0.00 O ATOM 344 CG2 THR A 26 2.761 -6.243 8.449 1.00 0.00 C ATOM 0 H THR A 26 3.678 -5.030 5.119 1.00 0.00 H new ATOM 0 HA THR A 26 5.198 -5.216 7.625 1.00 0.00 H new ATOM 0 HB THR A 26 4.429 -7.528 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.552 -7.349 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.172 -7.055 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.275 -5.708 9.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.101 -5.557 7.919 1.00 0.00 H new ATOM 352 N ASP A 27 6.971 -5.907 6.177 1.00 0.00 N ATOM 353 CA ASP A 27 8.094 -6.358 5.372 1.00 0.00 C ATOM 354 C ASP A 27 9.328 -6.506 6.264 1.00 0.00 C ATOM 355 O ASP A 27 9.322 -6.072 7.415 1.00 0.00 O ATOM 356 CB ASP A 27 8.424 -5.348 4.272 1.00 0.00 C ATOM 357 CG ASP A 27 9.116 -4.071 4.752 1.00 0.00 C ATOM 358 OD1 ASP A 27 8.737 -3.598 5.846 1.00 0.00 O ATOM 359 OD2 ASP A 27 10.008 -3.597 4.016 1.00 0.00 O ATOM 0 H ASP A 27 7.221 -5.290 6.950 1.00 0.00 H new ATOM 0 HA ASP A 27 7.822 -7.310 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.062 -5.833 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.500 -5.073 3.763 1.00 0.00 H new ATOM 364 N GLN A 28 10.357 -7.121 5.699 1.00 0.00 N ATOM 365 CA GLN A 28 11.596 -7.331 6.428 1.00 0.00 C ATOM 366 C GLN A 28 12.764 -6.670 5.693 1.00 0.00 C ATOM 367 O GLN A 28 13.634 -6.067 6.319 1.00 0.00 O ATOM 368 CB GLN A 28 11.858 -8.823 6.644 1.00 0.00 C ATOM 369 CG GLN A 28 12.142 -9.528 5.316 1.00 0.00 C ATOM 370 CD GLN A 28 11.973 -11.042 5.452 1.00 0.00 C ATOM 371 OE1 GLN A 28 12.779 -11.731 6.057 1.00 0.00 O ATOM 372 NE2 GLN A 28 10.884 -11.521 4.857 1.00 0.00 N ATOM 0 H GLN A 28 10.358 -7.481 4.744 1.00 0.00 H new ATOM 0 HA GLN A 28 11.501 -6.866 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.705 -8.953 7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.994 -9.281 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.467 -9.151 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.156 -9.300 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.251 -10.889 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.682 -12.520 4.890 1.00 0.00 H new ATOM 381 N LEU A 29 12.744 -6.804 4.375 1.00 0.00 N ATOM 382 CA LEU A 29 13.791 -6.228 3.549 1.00 0.00 C ATOM 383 C LEU A 29 13.513 -4.736 3.349 1.00 0.00 C ATOM 384 O LEU A 29 12.400 -4.351 2.994 1.00 0.00 O ATOM 385 CB LEU A 29 13.931 -7.007 2.240 1.00 0.00 C ATOM 386 CG LEU A 29 15.310 -7.610 1.962 1.00 0.00 C ATOM 387 CD1 LEU A 29 15.314 -9.116 2.230 1.00 0.00 C ATOM 388 CD2 LEU A 29 15.778 -7.278 0.544 1.00 0.00 C ATOM 0 H LEU A 29 12.019 -7.303 3.859 1.00 0.00 H new ATOM 0 HA LEU A 29 14.757 -6.310 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.197 -7.813 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.674 -6.342 1.415 1.00 0.00 H new ATOM 0 HG LEU A 29 16.025 -7.159 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.306 -9.519 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.056 -9.301 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.583 -9.603 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.760 -7.718 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.068 -7.682 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.840 -6.196 0.425 1.00 0.00 H new ATOM 400 N ASP A 30 14.543 -3.938 3.586 1.00 0.00 N ATOM 401 CA ASP A 30 14.424 -2.498 3.437 1.00 0.00 C ATOM 402 C ASP A 30 14.676 -2.118 1.976 1.00 0.00 C ATOM 403 O ASP A 30 15.777 -1.702 1.620 1.00 0.00 O ATOM 404 CB ASP A 30 15.456 -1.767 4.299 1.00 0.00 C ATOM 405 CG ASP A 30 15.033 -1.529 5.750 1.00 0.00 C ATOM 406 OD1 ASP A 30 14.383 -0.488 5.989 1.00 0.00 O ATOM 407 OD2 ASP A 30 15.369 -2.394 6.588 1.00 0.00 O ATOM 0 H ASP A 30 15.464 -4.262 3.880 1.00 0.00 H new ATOM 0 HA ASP A 30 13.421 -2.209 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.382 -2.341 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.676 -0.804 3.838 1.00 0.00 H new ATOM 412 N LYS A 31 13.636 -2.275 1.170 1.00 0.00 N ATOM 413 CA LYS A 31 13.730 -1.954 -0.244 1.00 0.00 C ATOM 414 C LYS A 31 12.363 -2.155 -0.900 1.00 0.00 C ATOM 415 O LYS A 31 11.956 -1.363 -1.749 1.00 0.00 O ATOM 416 CB LYS A 31 14.852 -2.760 -0.903 1.00 0.00 C ATOM 417 CG LYS A 31 15.643 -1.895 -1.886 1.00 0.00 C ATOM 418 CD LYS A 31 14.941 -1.827 -3.244 1.00 0.00 C ATOM 419 CE LYS A 31 14.445 -0.408 -3.534 1.00 0.00 C ATOM 420 NZ LYS A 31 15.259 0.217 -4.601 1.00 0.00 N ATOM 0 H LYS A 31 12.724 -2.620 1.469 1.00 0.00 H new ATOM 0 HA LYS A 31 13.999 -0.906 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.522 -3.152 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.430 -3.618 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.757 -0.890 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.646 -2.304 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.628 -2.144 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.100 -2.520 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.398 -0.437 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.498 0.195 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.910 1.179 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.253 0.262 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.187 -0.350 -5.470 1.00 0.00 H new ATOM 434 N SER A 32 11.691 -3.218 -0.483 1.00 0.00 N ATOM 435 CA SER A 32 10.378 -3.532 -1.019 1.00 0.00 C ATOM 436 C SER A 32 9.438 -3.952 0.112 1.00 0.00 C ATOM 437 O SER A 32 9.562 -5.051 0.651 1.00 0.00 O ATOM 438 CB SER A 32 10.465 -4.635 -2.076 1.00 0.00 C ATOM 439 OG SER A 32 10.274 -4.129 -3.394 1.00 0.00 O ATOM 0 H SER A 32 12.032 -3.873 0.221 1.00 0.00 H new ATOM 0 HA SER A 32 9.981 -2.637 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.438 -5.122 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.713 -5.396 -1.868 1.00 0.00 H new ATOM 0 HG SER A 32 10.339 -4.864 -4.039 1.00 0.00 H new ATOM 445 N VAL A 33 8.518 -3.056 0.438 1.00 0.00 N ATOM 446 CA VAL A 33 7.557 -3.320 1.495 1.00 0.00 C ATOM 447 C VAL A 33 6.382 -4.116 0.923 1.00 0.00 C ATOM 448 O VAL A 33 6.161 -4.120 -0.287 1.00 0.00 O ATOM 449 CB VAL A 33 7.126 -2.007 2.151 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.231 -1.193 1.214 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.430 -2.265 3.489 1.00 0.00 C ATOM 0 H VAL A 33 8.418 -2.146 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 33 8.010 -3.926 2.280 1.00 0.00 H new ATOM 0 HB VAL A 33 8.024 -1.421 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.939 -0.265 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.776 -0.963 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.339 -1.770 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.134 -1.315 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.546 -2.881 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.114 -2.783 4.161 1.00 0.00 H new ATOM 461 N GLN A 34 5.660 -4.771 1.820 1.00 0.00 N ATOM 462 CA GLN A 34 4.513 -5.568 1.420 1.00 0.00 C ATOM 463 C GLN A 34 3.228 -4.983 2.009 1.00 0.00 C ATOM 464 O GLN A 34 3.184 -4.634 3.188 1.00 0.00 O ATOM 465 CB GLN A 34 4.690 -7.030 1.834 1.00 0.00 C ATOM 466 CG GLN A 34 3.916 -7.963 0.900 1.00 0.00 C ATOM 467 CD GLN A 34 4.486 -9.382 0.946 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.322 -9.716 1.770 1.00 0.00 O ATOM 469 NE2 GLN A 34 3.989 -10.195 0.019 1.00 0.00 N ATOM 0 H GLN A 34 5.847 -4.766 2.823 1.00 0.00 H new ATOM 0 HA GLN A 34 4.437 -5.539 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.748 -7.290 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.343 -7.166 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.865 -7.980 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.962 -7.582 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.291 -9.851 -0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.305 -11.163 -0.033 1.00 0.00 H new ATOM 478 N LEU A 35 2.213 -4.894 1.162 1.00 0.00 N ATOM 479 CA LEU A 35 0.930 -4.358 1.584 1.00 0.00 C ATOM 480 C LEU A 35 -0.086 -5.497 1.684 1.00 0.00 C ATOM 481 O LEU A 35 -0.469 -6.083 0.672 1.00 0.00 O ATOM 482 CB LEU A 35 0.493 -3.223 0.656 1.00 0.00 C ATOM 483 CG LEU A 35 -0.932 -2.704 0.856 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.978 -1.635 1.950 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.523 -2.201 -0.462 1.00 0.00 C ATOM 0 H LEU A 35 2.253 -5.184 0.185 1.00 0.00 H new ATOM 0 HA LEU A 35 1.010 -3.915 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.183 -2.389 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.593 -3.564 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.554 -3.534 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.002 -1.283 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.626 -2.061 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.338 -0.799 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.536 -1.838 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.907 -1.390 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.547 -3.017 -1.185 1.00 0.00 H new ATOM 497 N SER A 36 -0.495 -5.776 2.912 1.00 0.00 N ATOM 498 CA SER A 36 -1.460 -6.835 3.157 1.00 0.00 C ATOM 499 C SER A 36 -2.864 -6.242 3.292 1.00 0.00 C ATOM 500 O SER A 36 -3.130 -5.470 4.211 1.00 0.00 O ATOM 501 CB SER A 36 -1.097 -7.631 4.413 1.00 0.00 C ATOM 502 OG SER A 36 0.249 -8.098 4.379 1.00 0.00 O ATOM 0 H SER A 36 -0.176 -5.287 3.749 1.00 0.00 H new ATOM 0 HA SER A 36 -1.441 -7.519 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.241 -7.005 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.773 -8.480 4.512 1.00 0.00 H new ATOM 0 HG SER A 36 0.442 -8.600 5.199 1.00 0.00 H new ATOM 508 N TRP A 37 -3.725 -6.627 2.362 1.00 0.00 N ATOM 509 CA TRP A 37 -5.096 -6.143 2.365 1.00 0.00 C ATOM 510 C TRP A 37 -6.021 -7.344 2.571 1.00 0.00 C ATOM 511 O TRP A 37 -5.607 -8.488 2.391 1.00 0.00 O ATOM 512 CB TRP A 37 -5.405 -5.363 1.085 1.00 0.00 C ATOM 513 CG TRP A 37 -5.210 -6.173 -0.199 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.125 -6.881 -0.875 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.981 -6.329 -0.938 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.578 -7.479 -1.991 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.233 -7.133 -2.031 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.698 -5.808 -0.692 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.251 -7.488 -2.964 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.729 -6.172 -1.634 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.966 -6.981 -2.739 1.00 0.00 C ATOM 0 H TRP A 37 -3.501 -7.268 1.601 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.254 -5.438 3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.435 -5.010 1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.767 -4.480 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.161 -6.972 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.070 -8.067 -2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.478 -5.177 0.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.473 -8.119 -3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.726 -5.798 -1.492 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.162 -7.217 -3.421 1.00 0.00 H new ATOM 532 N THR A 38 -7.255 -7.042 2.947 1.00 0.00 N ATOM 533 CA THR A 38 -8.242 -8.083 3.181 1.00 0.00 C ATOM 534 C THR A 38 -9.503 -7.815 2.358 1.00 0.00 C ATOM 535 O THR A 38 -10.272 -6.908 2.672 1.00 0.00 O ATOM 536 CB THR A 38 -8.502 -8.158 4.686 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.238 -8.510 5.241 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.413 -9.328 5.065 1.00 0.00 C ATOM 0 H THR A 38 -7.594 -6.092 3.095 1.00 0.00 H new ATOM 0 HA THR A 38 -7.878 -9.056 2.852 1.00 0.00 H new ATOM 0 HB THR A 38 -8.951 -7.223 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.316 -8.578 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.565 -9.336 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.374 -9.218 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.949 -10.265 4.758 1.00 0.00 H new ATOM 546 N PRO A 39 -9.682 -8.643 1.294 1.00 0.00 N ATOM 547 CA PRO A 39 -10.837 -8.504 0.424 1.00 0.00 C ATOM 548 C PRO A 39 -12.100 -9.044 1.099 1.00 0.00 C ATOM 549 O PRO A 39 -12.268 -10.255 1.233 1.00 0.00 O ATOM 550 CB PRO A 39 -10.470 -9.263 -0.841 1.00 0.00 C ATOM 551 CG PRO A 39 -9.323 -10.183 -0.458 1.00 0.00 C ATOM 552 CD PRO A 39 -8.792 -9.728 0.892 1.00 0.00 C ATOM 0 HA PRO A 39 -11.069 -7.464 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.320 -9.834 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.173 -8.578 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.664 -11.217 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.535 -10.145 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.806 -10.541 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.760 -9.386 0.817 1.00 0.00 H new ATOM 560 N GLY A 40 -12.956 -8.118 1.507 1.00 0.00 N ATOM 561 CA GLY A 40 -14.198 -8.485 2.165 1.00 0.00 C ATOM 562 C GLY A 40 -15.069 -9.348 1.250 1.00 0.00 C ATOM 563 O GLY A 40 -14.555 -10.160 0.482 1.00 0.00 O ATOM 0 H GLY A 40 -12.813 -7.114 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.980 -9.029 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.743 -7.585 2.449 1.00 0.00 H new ATOM 567 N ASP A 41 -16.373 -9.143 1.361 1.00 0.00 N ATOM 568 CA ASP A 41 -17.320 -9.893 0.554 1.00 0.00 C ATOM 569 C ASP A 41 -17.009 -9.670 -0.928 1.00 0.00 C ATOM 570 O ASP A 41 -16.368 -8.684 -1.289 1.00 0.00 O ATOM 571 CB ASP A 41 -18.754 -9.426 0.811 1.00 0.00 C ATOM 572 CG ASP A 41 -19.156 -9.353 2.286 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.647 -8.438 2.968 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.962 -10.215 2.698 1.00 0.00 O ATOM 0 H ASP A 41 -16.796 -8.468 1.998 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.230 -10.946 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.884 -8.440 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.438 -10.101 0.297 1.00 0.00 H new ATOM 579 N ASP A 42 -17.478 -10.601 -1.745 1.00 0.00 N ATOM 580 CA ASP A 42 -17.258 -10.519 -3.179 1.00 0.00 C ATOM 581 C ASP A 42 -18.581 -10.192 -3.875 1.00 0.00 C ATOM 582 O ASP A 42 -18.591 -9.787 -5.037 1.00 0.00 O ATOM 583 CB ASP A 42 -16.747 -11.849 -3.735 1.00 0.00 C ATOM 584 CG ASP A 42 -15.802 -12.617 -2.809 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.038 -11.939 -2.089 1.00 0.00 O ATOM 586 OD2 ASP A 42 -15.865 -13.865 -2.842 1.00 0.00 O ATOM 0 H ASP A 42 -18.010 -11.417 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.515 -9.743 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.604 -12.484 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.233 -11.658 -4.677 1.00 0.00 H new ATOM 591 N ASN A 43 -19.664 -10.380 -3.136 1.00 0.00 N ATOM 592 CA ASN A 43 -20.989 -10.110 -3.668 1.00 0.00 C ATOM 593 C ASN A 43 -21.232 -10.994 -4.893 1.00 0.00 C ATOM 594 O ASN A 43 -21.303 -10.498 -6.017 1.00 0.00 O ATOM 595 CB ASN A 43 -21.120 -8.650 -4.106 1.00 0.00 C ATOM 596 CG ASN A 43 -21.295 -7.728 -2.897 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.403 -7.927 -1.931 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -22.182 -6.892 -2.844 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.651 -10.716 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.716 -10.318 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.234 -8.354 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.973 -8.543 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.835 -6.791 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.271 -6.294 -2.022 1.00 0.00 H new ATOM 605 N ASN A 44 -21.353 -12.288 -4.635 1.00 0.00 N ATOM 606 CA ASN A 44 -21.586 -13.246 -5.702 1.00 0.00 C ATOM 607 C ASN A 44 -20.354 -13.304 -6.607 1.00 0.00 C ATOM 608 O ASN A 44 -19.717 -14.349 -6.729 1.00 0.00 O ATOM 609 CB ASN A 44 -22.784 -12.833 -6.560 1.00 0.00 C ATOM 610 CG ASN A 44 -24.090 -13.371 -5.972 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.616 -14.390 -6.390 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.582 -12.633 -4.982 1.00 0.00 N ATOM 0 H ASN A 44 -21.294 -12.695 -3.702 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.785 -14.216 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.831 -11.746 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.656 -13.209 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.450 -12.909 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.091 -11.791 -4.681 1.00 0.00 H new ATOM 619 N SER A 45 -20.055 -12.168 -7.220 1.00 0.00 N ATOM 620 CA SER A 45 -18.910 -12.076 -8.110 1.00 0.00 C ATOM 621 C SER A 45 -17.613 -12.109 -7.300 1.00 0.00 C ATOM 622 O SER A 45 -17.351 -11.209 -6.504 1.00 0.00 O ATOM 623 CB SER A 45 -18.973 -10.805 -8.960 1.00 0.00 C ATOM 624 OG SER A 45 -17.826 -10.662 -9.793 1.00 0.00 O ATOM 0 H SER A 45 -20.586 -11.303 -7.118 1.00 0.00 H new ATOM 0 HA SER A 45 -18.932 -12.933 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.870 -10.827 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.057 -9.936 -8.307 1.00 0.00 H new ATOM 0 HG SER A 45 -17.576 -11.536 -10.158 1.00 0.00 H new ATOM 630 N PRO A 46 -16.814 -13.184 -7.537 1.00 0.00 N ATOM 631 CA PRO A 46 -15.550 -13.346 -6.839 1.00 0.00 C ATOM 632 C PRO A 46 -14.491 -12.392 -7.395 1.00 0.00 C ATOM 633 O PRO A 46 -14.583 -11.955 -8.541 1.00 0.00 O ATOM 634 CB PRO A 46 -15.185 -14.810 -7.020 1.00 0.00 C ATOM 635 CG PRO A 46 -16.012 -15.303 -8.197 1.00 0.00 C ATOM 636 CD PRO A 46 -17.092 -14.269 -8.473 1.00 0.00 C ATOM 0 HA PRO A 46 -15.619 -13.095 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.119 -14.925 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.407 -15.382 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.382 -15.441 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.459 -16.271 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.053 -13.921 -9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.087 -14.684 -8.314 1.00 0.00 H new ATOM 644 N ILE A 47 -13.508 -12.098 -6.556 1.00 0.00 N ATOM 645 CA ILE A 47 -12.431 -11.204 -6.949 1.00 0.00 C ATOM 646 C ILE A 47 -11.545 -11.903 -7.982 1.00 0.00 C ATOM 647 O ILE A 47 -11.345 -13.114 -7.915 1.00 0.00 O ATOM 648 CB ILE A 47 -11.669 -10.710 -5.719 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.733 -9.185 -5.609 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.228 -11.224 -5.723 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.160 -8.521 -6.863 1.00 0.00 C ATOM 0 H ILE A 47 -13.435 -12.463 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.833 -10.310 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.154 -11.117 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.767 -8.870 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.176 -8.856 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.709 -10.858 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.230 -12.314 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.717 -10.867 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.217 -7.437 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.119 -8.819 -6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.735 -8.833 -7.735 1.00 0.00 H new ATOM 663 N THR A 48 -11.039 -11.109 -8.914 1.00 0.00 N ATOM 664 CA THR A 48 -10.179 -11.636 -9.960 1.00 0.00 C ATOM 665 C THR A 48 -8.851 -10.876 -9.993 1.00 0.00 C ATOM 666 O THR A 48 -7.811 -11.450 -10.310 1.00 0.00 O ATOM 667 CB THR A 48 -10.948 -11.574 -11.281 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.076 -10.179 -11.543 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.392 -12.061 -11.142 1.00 0.00 C ATOM 0 H THR A 48 -11.208 -10.104 -8.967 1.00 0.00 H new ATOM 0 HA THR A 48 -9.917 -12.677 -9.769 1.00 0.00 H new ATOM 0 HB THR A 48 -10.433 -12.176 -12.029 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.485 -9.737 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.892 -11.996 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.396 -13.096 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.918 -11.438 -10.418 1.00 0.00 H new ATOM 677 N LYS A 49 -8.931 -9.595 -9.662 1.00 0.00 N ATOM 678 CA LYS A 49 -7.749 -8.751 -9.649 1.00 0.00 C ATOM 679 C LYS A 49 -7.860 -7.743 -8.503 1.00 0.00 C ATOM 680 O LYS A 49 -8.959 -7.444 -8.039 1.00 0.00 O ATOM 681 CB LYS A 49 -7.540 -8.103 -11.020 1.00 0.00 C ATOM 682 CG LYS A 49 -6.930 -6.706 -10.879 1.00 0.00 C ATOM 683 CD LYS A 49 -6.530 -6.143 -12.243 1.00 0.00 C ATOM 684 CE LYS A 49 -7.763 -5.851 -13.100 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.544 -6.298 -14.493 1.00 0.00 N ATOM 0 H LYS A 49 -9.796 -9.122 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.856 -9.348 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.886 -8.730 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.494 -8.036 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.648 -6.038 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.056 -6.751 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.952 -5.229 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.885 -6.854 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.632 -6.358 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.979 -4.783 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.391 -6.092 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.727 -5.795 -14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.360 -7.322 -14.504 1.00 0.00 H new ATOM 699 N PHE A 50 -6.706 -7.247 -8.080 1.00 0.00 N ATOM 700 CA PHE A 50 -6.660 -6.280 -6.997 1.00 0.00 C ATOM 701 C PHE A 50 -5.720 -5.121 -7.338 1.00 0.00 C ATOM 702 O PHE A 50 -4.501 -5.285 -7.339 1.00 0.00 O ATOM 703 CB PHE A 50 -6.122 -7.012 -5.766 1.00 0.00 C ATOM 704 CG PHE A 50 -7.180 -7.818 -5.010 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.273 -7.192 -4.496 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.028 -9.160 -4.852 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.255 -7.940 -3.794 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.010 -9.908 -4.150 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.102 -9.282 -3.636 1.00 0.00 C ATOM 0 H PHE A 50 -5.796 -7.497 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.654 -5.868 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.321 -7.684 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.681 -6.283 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.394 -6.126 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.160 -9.657 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.123 -7.443 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.889 -10.974 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.849 -9.851 -3.102 1.00 0.00 H new ATOM 719 N ILE A 51 -6.324 -3.975 -7.619 1.00 0.00 N ATOM 720 CA ILE A 51 -5.557 -2.789 -7.960 1.00 0.00 C ATOM 721 C ILE A 51 -5.192 -2.037 -6.679 1.00 0.00 C ATOM 722 O ILE A 51 -5.915 -2.107 -5.686 1.00 0.00 O ATOM 723 CB ILE A 51 -6.314 -1.936 -8.979 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.507 -2.695 -10.294 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.619 -0.589 -9.192 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.993 -2.908 -10.591 1.00 0.00 C ATOM 0 H ILE A 51 -7.335 -3.843 -7.617 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.621 -3.067 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.306 -1.727 -8.579 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.045 -2.139 -11.110 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.002 -3.659 -10.239 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.178 -0.002 -9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.577 -0.048 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.607 -0.756 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.102 -3.449 -11.531 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.446 -3.485 -9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.491 -1.941 -10.669 1.00 0.00 H new ATOM 738 N ILE A 52 -4.070 -1.335 -6.742 1.00 0.00 N ATOM 739 CA ILE A 52 -3.600 -0.571 -5.599 1.00 0.00 C ATOM 740 C ILE A 52 -3.385 0.885 -6.018 1.00 0.00 C ATOM 741 O ILE A 52 -3.135 1.167 -7.189 1.00 0.00 O ATOM 742 CB ILE A 52 -2.359 -1.225 -4.990 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.728 -2.500 -4.229 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.592 -0.235 -4.111 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.039 -3.722 -4.839 1.00 0.00 C ATOM 0 H ILE A 52 -3.473 -1.279 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.350 -0.569 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.694 -1.516 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.439 -2.400 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.809 -2.640 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.714 -0.726 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.277 0.618 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.237 0.109 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.318 -4.615 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.349 -3.834 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.958 -3.590 -4.795 1.00 0.00 H new ATOM 757 N GLU A 53 -3.489 1.771 -5.038 1.00 0.00 N ATOM 758 CA GLU A 53 -3.308 3.190 -5.291 1.00 0.00 C ATOM 759 C GLU A 53 -2.713 3.877 -4.060 1.00 0.00 C ATOM 760 O GLU A 53 -2.754 3.331 -2.959 1.00 0.00 O ATOM 761 CB GLU A 53 -4.628 3.847 -5.700 1.00 0.00 C ATOM 762 CG GLU A 53 -4.961 3.544 -7.162 1.00 0.00 C ATOM 763 CD GLU A 53 -6.327 4.118 -7.544 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.013 4.612 -6.623 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.655 4.049 -8.748 1.00 0.00 O ATOM 0 H GLU A 53 -3.696 1.533 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.610 3.305 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.432 3.487 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.562 4.925 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.192 3.966 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.958 2.466 -7.324 1.00 0.00 H new ATOM 772 N TYR A 54 -2.173 5.065 -4.288 1.00 0.00 N ATOM 773 CA TYR A 54 -1.570 5.832 -3.212 1.00 0.00 C ATOM 774 C TYR A 54 -1.722 7.335 -3.457 1.00 0.00 C ATOM 775 O TYR A 54 -1.942 7.764 -4.589 1.00 0.00 O ATOM 776 CB TYR A 54 -0.082 5.474 -3.221 1.00 0.00 C ATOM 777 CG TYR A 54 0.729 6.211 -4.288 1.00 0.00 C ATOM 778 CD1 TYR A 54 0.789 5.715 -5.575 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.401 7.373 -3.965 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.552 6.408 -6.579 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.164 8.066 -4.970 1.00 0.00 C ATOM 782 CZ TYR A 54 2.202 7.550 -6.228 1.00 0.00 C ATOM 783 OH TYR A 54 2.923 8.205 -7.177 1.00 0.00 O ATOM 0 H TYR A 54 -2.141 5.515 -5.203 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.050 5.601 -2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.340 5.696 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.022 4.400 -3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.263 4.806 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.354 7.762 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.607 6.030 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.695 8.976 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 54 3.332 9.004 -6.784 1.00 0.00 H new ATOM 793 N GLU A 55 -1.599 8.094 -2.378 1.00 0.00 N ATOM 794 CA GLU A 55 -1.720 9.539 -2.462 1.00 0.00 C ATOM 795 C GLU A 55 -0.513 10.212 -1.804 1.00 0.00 C ATOM 796 O GLU A 55 -0.118 9.843 -0.699 1.00 0.00 O ATOM 797 CB GLU A 55 -3.027 10.018 -1.827 1.00 0.00 C ATOM 798 CG GLU A 55 -3.077 9.663 -0.340 1.00 0.00 C ATOM 799 CD GLU A 55 -3.209 10.921 0.520 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.429 11.865 0.269 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.088 10.911 1.409 1.00 0.00 O ATOM 0 H GLU A 55 -1.417 7.735 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.741 9.821 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.121 11.097 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.873 9.563 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.919 8.998 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.173 9.121 -0.061 1.00 0.00 H new ATOM 808 N ASP A 56 0.039 11.187 -2.512 1.00 0.00 N ATOM 809 CA ASP A 56 1.193 11.915 -2.011 1.00 0.00 C ATOM 810 C ASP A 56 0.718 13.050 -1.102 1.00 0.00 C ATOM 811 O ASP A 56 0.432 14.150 -1.574 1.00 0.00 O ATOM 812 CB ASP A 56 1.996 12.531 -3.157 1.00 0.00 C ATOM 813 CG ASP A 56 1.813 11.848 -4.515 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.652 11.803 -4.975 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.839 11.387 -5.060 1.00 0.00 O ATOM 0 H ASP A 56 -0.291 11.490 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 56 1.824 11.213 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.716 13.580 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.054 12.506 -2.894 1.00 0.00 H new ATOM 820 N ALA A 57 0.650 12.746 0.186 1.00 0.00 N ATOM 821 CA ALA A 57 0.215 13.727 1.165 1.00 0.00 C ATOM 822 C ALA A 57 1.285 14.813 1.302 1.00 0.00 C ATOM 823 O ALA A 57 0.979 15.949 1.661 1.00 0.00 O ATOM 824 CB ALA A 57 -0.078 13.028 2.494 1.00 0.00 C ATOM 0 H ALA A 57 0.889 11.834 0.574 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.707 14.210 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.404 13.765 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.864 12.287 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.825 12.534 2.852 1.00 0.00 H new ATOM 830 N MET A 58 2.517 14.425 1.008 1.00 0.00 N ATOM 831 CA MET A 58 3.633 15.351 1.093 1.00 0.00 C ATOM 832 C MET A 58 3.607 16.351 -0.065 1.00 0.00 C ATOM 833 O MET A 58 4.111 17.465 0.061 1.00 0.00 O ATOM 834 CB MET A 58 4.949 14.570 1.064 1.00 0.00 C ATOM 835 CG MET A 58 6.140 15.509 0.867 1.00 0.00 C ATOM 836 SD MET A 58 7.658 14.664 1.276 1.00 0.00 S ATOM 837 CE MET A 58 7.305 14.191 2.961 1.00 0.00 C ATOM 0 H MET A 58 2.767 13.482 0.711 1.00 0.00 H new ATOM 0 HA MET A 58 3.549 15.905 2.028 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.068 14.017 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.923 13.836 0.258 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.174 15.855 -0.166 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.025 16.392 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.227 14.203 3.543 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.593 14.894 3.395 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.879 13.188 2.976 1.00 0.00 H new ATOM 847 N HIS A 59 3.013 15.915 -1.166 1.00 0.00 N ATOM 848 CA HIS A 59 2.914 16.758 -2.346 1.00 0.00 C ATOM 849 C HIS A 59 1.467 17.218 -2.528 1.00 0.00 C ATOM 850 O HIS A 59 1.160 18.397 -2.358 1.00 0.00 O ATOM 851 CB HIS A 59 3.466 16.036 -3.577 1.00 0.00 C ATOM 852 CG HIS A 59 4.919 15.641 -3.458 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.328 14.466 -2.852 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.052 16.276 -3.873 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.651 14.407 -2.905 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.098 15.530 -3.538 1.00 0.00 N ATOM 0 H HIS A 59 2.596 14.990 -1.266 1.00 0.00 H new ATOM 0 HA HIS A 59 3.528 17.649 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.871 15.141 -3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.346 16.680 -4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.092 17.225 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.267 13.610 -2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.075 15.759 -3.723 1.00 0.00 H new ATOM 864 N LYS A 60 0.615 16.263 -2.871 1.00 0.00 N ATOM 865 CA LYS A 60 -0.794 16.556 -3.078 1.00 0.00 C ATOM 866 C LYS A 60 -1.639 15.467 -2.415 1.00 0.00 C ATOM 867 O LYS A 60 -1.789 14.375 -2.961 1.00 0.00 O ATOM 868 CB LYS A 60 -1.089 16.743 -4.568 1.00 0.00 C ATOM 869 CG LYS A 60 -0.860 18.194 -4.995 1.00 0.00 C ATOM 870 CD LYS A 60 -2.119 18.783 -5.634 1.00 0.00 C ATOM 871 CE LYS A 60 -2.114 18.573 -7.149 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.013 19.872 -7.852 1.00 0.00 N ATOM 0 H LYS A 60 0.873 15.286 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.061 17.500 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.450 16.083 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.120 16.457 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.574 18.791 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.032 18.242 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.004 18.316 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.180 19.848 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.277 17.934 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.025 18.058 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.011 19.711 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.825 20.469 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.132 20.349 -7.574 1.00 0.00 H new ATOM 886 N PRO A 61 -2.183 15.810 -1.217 1.00 0.00 N ATOM 887 CA PRO A 61 -3.009 14.874 -0.474 1.00 0.00 C ATOM 888 C PRO A 61 -4.397 14.746 -1.106 1.00 0.00 C ATOM 889 O PRO A 61 -5.005 15.746 -1.485 1.00 0.00 O ATOM 890 CB PRO A 61 -3.051 15.424 0.942 1.00 0.00 C ATOM 891 CG PRO A 61 -2.637 16.883 0.835 1.00 0.00 C ATOM 892 CD PRO A 61 -2.026 17.095 -0.541 1.00 0.00 C ATOM 0 HA PRO A 61 -2.607 13.861 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.050 15.332 1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.374 14.873 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.499 17.535 0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.918 17.134 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.536 17.892 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.976 17.379 -0.469 1.00 0.00 H new ATOM 900 N GLY A 62 -4.857 13.508 -1.201 1.00 0.00 N ATOM 901 CA GLY A 62 -6.161 13.236 -1.781 1.00 0.00 C ATOM 902 C GLY A 62 -6.028 12.742 -3.223 1.00 0.00 C ATOM 903 O GLY A 62 -6.924 12.077 -3.740 1.00 0.00 O ATOM 0 H GLY A 62 -4.350 12.681 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.680 12.487 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.769 14.140 -1.757 1.00 0.00 H new ATOM 907 N LEU A 63 -4.902 13.086 -3.831 1.00 0.00 N ATOM 908 CA LEU A 63 -4.640 12.686 -5.203 1.00 0.00 C ATOM 909 C LEU A 63 -4.147 11.238 -5.222 1.00 0.00 C ATOM 910 O LEU A 63 -3.014 10.960 -4.834 1.00 0.00 O ATOM 911 CB LEU A 63 -3.682 13.672 -5.875 1.00 0.00 C ATOM 912 CG LEU A 63 -4.227 14.409 -7.100 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.990 15.916 -6.983 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.641 13.835 -8.391 1.00 0.00 C ATOM 0 H LEU A 63 -4.161 13.637 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.557 12.718 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.378 14.413 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.784 13.130 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.305 14.255 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.387 16.416 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.494 16.296 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.920 16.111 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.045 14.377 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.556 13.938 -8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.904 12.780 -8.473 1.00 0.00 H new ATOM 926 N TRP A 64 -5.022 10.354 -5.678 1.00 0.00 N ATOM 927 CA TRP A 64 -4.690 8.942 -5.753 1.00 0.00 C ATOM 928 C TRP A 64 -4.182 8.650 -7.167 1.00 0.00 C ATOM 929 O TRP A 64 -4.758 9.120 -8.146 1.00 0.00 O ATOM 930 CB TRP A 64 -5.887 8.075 -5.358 1.00 0.00 C ATOM 931 CG TRP A 64 -6.475 8.415 -3.987 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.400 9.339 -3.692 1.00 0.00 C ATOM 933 CD2 TRP A 64 -6.139 7.793 -2.729 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.684 9.358 -2.342 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.893 8.388 -1.737 1.00 0.00 C ATOM 936 CE3 TRP A 64 -5.229 6.762 -2.438 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.813 8.020 -0.389 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -5.161 6.405 -1.086 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.912 6.994 -0.076 1.00 0.00 C ATOM 0 H TRP A 64 -5.961 10.589 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.903 8.693 -5.041 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.666 8.183 -6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.582 7.029 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.865 9.987 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.352 9.971 -1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.629 6.283 -3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.413 8.501 0.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.477 5.617 -0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.802 6.662 0.946 1.00 0.00 H new ATOM 950 N HIS A 65 -3.108 7.876 -7.227 1.00 0.00 N ATOM 951 CA HIS A 65 -2.516 7.516 -8.504 1.00 0.00 C ATOM 952 C HIS A 65 -2.390 5.994 -8.600 1.00 0.00 C ATOM 953 O HIS A 65 -2.237 5.315 -7.586 1.00 0.00 O ATOM 954 CB HIS A 65 -1.181 8.236 -8.706 1.00 0.00 C ATOM 955 CG HIS A 65 -1.241 9.724 -8.455 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.264 10.656 -9.478 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.283 10.430 -7.290 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.318 11.865 -8.941 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.329 11.724 -7.584 1.00 0.00 N ATOM 0 H HIS A 65 -2.633 7.488 -6.412 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.165 7.844 -9.316 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.438 7.795 -8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.838 8.064 -9.726 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.243 10.447 -10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.279 10.008 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.348 12.799 -9.482 1.00 0.00 H new ATOM 967 N HIS A 66 -2.458 5.504 -9.829 1.00 0.00 N ATOM 968 CA HIS A 66 -2.354 4.075 -10.071 1.00 0.00 C ATOM 969 C HIS A 66 -0.964 3.585 -9.660 1.00 0.00 C ATOM 970 O HIS A 66 0.046 4.118 -10.116 1.00 0.00 O ATOM 971 CB HIS A 66 -2.692 3.744 -11.526 1.00 0.00 C ATOM 972 CG HIS A 66 -3.328 2.388 -11.716 1.00 0.00 C ATOM 973 ND1 HIS A 66 -4.468 2.021 -12.370 1.00 0.00 N flip ATOM 974 CD2 HIS A 66 -2.784 1.226 -11.198 1.00 0.00 C flip ATOM 975 CE1 HIS A 66 -4.611 0.707 -12.260 1.00 0.00 C flip ATOM 976 NE2 HIS A 66 -3.568 0.211 -11.533 1.00 0.00 N flip ATOM 0 H HIS A 66 -2.584 6.071 -10.668 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.084 3.545 -9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.366 4.508 -11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.779 3.792 -12.120 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.103 2.651 -12.861 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.875 1.158 -10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.420 0.125 -12.677 1.00 0.00 H new ATOM 984 N GLN A 67 -0.958 2.576 -8.802 1.00 0.00 N ATOM 985 CA GLN A 67 0.291 2.008 -8.323 1.00 0.00 C ATOM 986 C GLN A 67 0.571 0.675 -9.022 1.00 0.00 C ATOM 987 O GLN A 67 1.423 0.601 -9.906 1.00 0.00 O ATOM 988 CB GLN A 67 0.269 1.836 -6.803 1.00 0.00 C ATOM 989 CG GLN A 67 1.583 1.236 -6.300 1.00 0.00 C ATOM 990 CD GLN A 67 2.391 2.270 -5.513 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.790 3.304 -6.023 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.609 1.934 -4.244 1.00 0.00 N ATOM 0 H GLN A 67 -1.798 2.137 -8.426 1.00 0.00 H new ATOM 0 HA GLN A 67 1.098 2.700 -8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.100 2.802 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.562 1.191 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.375 0.373 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.170 0.877 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.247 1.053 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.139 2.558 -3.635 1.00 0.00 H new ATOM 1001 N THR A 68 -0.163 -0.343 -8.599 1.00 0.00 N ATOM 1002 CA THR A 68 -0.005 -1.669 -9.173 1.00 0.00 C ATOM 1003 C THR A 68 -1.195 -2.556 -8.801 1.00 0.00 C ATOM 1004 O THR A 68 -1.947 -2.239 -7.881 1.00 0.00 O ATOM 1005 CB THR A 68 1.340 -2.229 -8.707 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.444 -3.484 -9.374 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.338 -2.595 -7.221 1.00 0.00 C ATOM 0 H THR A 68 -0.869 -0.277 -7.866 1.00 0.00 H new ATOM 0 HA THR A 68 0.003 -1.630 -10.262 1.00 0.00 H new ATOM 0 HB THR A 68 2.124 -1.497 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.289 -3.915 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.316 -2.987 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.121 -1.707 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.576 -3.352 -7.034 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.328 -3.651 -9.536 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.413 -4.586 -9.295 1.00 0.00 C ATOM 1017 C GLU A 69 -1.873 -6.015 -9.211 1.00 0.00 C ATOM 1018 O GLU A 69 -0.743 -6.280 -9.617 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.489 -4.469 -10.377 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.879 -4.612 -11.774 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.380 -6.039 -12.011 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.018 -6.962 -11.461 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.372 -6.174 -12.738 1.00 0.00 O ATOM 0 H GLU A 69 -0.702 -3.911 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.876 -4.336 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.247 -5.238 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.992 -3.506 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.623 -4.353 -12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.053 -3.910 -11.887 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.707 -6.898 -8.681 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.327 -8.294 -8.538 1.00 0.00 C ATOM 1032 C VAL A 70 -3.515 -9.182 -8.913 1.00 0.00 C ATOM 1033 O VAL A 70 -4.554 -8.685 -9.343 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.810 -8.553 -7.121 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.284 -8.657 -7.105 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.297 -7.472 -6.154 1.00 0.00 C ATOM 0 H VAL A 70 -3.644 -6.674 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.511 -8.540 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.214 -9.508 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.057 -8.841 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.031 -9.479 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.148 -7.725 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.916 -7.680 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.936 -6.498 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.387 -7.467 -6.133 1.00 0.00 H new ATOM 1046 N SER A 71 -3.320 -10.481 -8.736 1.00 0.00 N ATOM 1047 CA SER A 71 -4.363 -11.443 -9.051 1.00 0.00 C ATOM 1048 C SER A 71 -5.469 -11.380 -7.996 1.00 0.00 C ATOM 1049 O SER A 71 -5.311 -10.730 -6.964 1.00 0.00 O ATOM 1050 CB SER A 71 -3.795 -12.861 -9.140 1.00 0.00 C ATOM 1051 OG SER A 71 -4.007 -13.441 -10.425 1.00 0.00 O ATOM 0 H SER A 71 -2.456 -10.889 -8.379 1.00 0.00 H new ATOM 0 HA SER A 71 -4.783 -11.186 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.727 -12.838 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.261 -13.487 -8.378 1.00 0.00 H new ATOM 0 HG SER A 71 -3.629 -14.345 -10.442 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.564 -12.064 -8.292 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.697 -12.094 -7.381 1.00 0.00 C ATOM 1059 C GLY A 72 -7.564 -13.242 -6.379 1.00 0.00 C ATOM 1060 O GLY A 72 -8.564 -13.820 -5.956 1.00 0.00 O ATOM 0 H GLY A 72 -6.691 -12.602 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.764 -11.146 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.621 -12.206 -7.948 1.00 0.00 H new ATOM 1064 N THR A 73 -6.321 -13.539 -6.029 1.00 0.00 N ATOM 1065 CA THR A 73 -6.045 -14.608 -5.084 1.00 0.00 C ATOM 1066 C THR A 73 -5.067 -14.131 -4.009 1.00 0.00 C ATOM 1067 O THR A 73 -5.253 -14.412 -2.826 1.00 0.00 O ATOM 1068 CB THR A 73 -5.539 -15.817 -5.873 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.677 -16.668 -5.973 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.522 -16.646 -5.086 1.00 0.00 C ATOM 0 H THR A 73 -5.494 -13.058 -6.383 1.00 0.00 H new ATOM 0 HA THR A 73 -6.947 -14.905 -4.549 1.00 0.00 H new ATOM 0 HB THR A 73 -5.087 -15.478 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.438 -17.477 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.195 -17.491 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.662 -16.025 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.983 -17.013 -4.169 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.046 -13.417 -4.459 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.037 -12.897 -3.551 1.00 0.00 C ATOM 1080 C GLN A 74 -3.553 -11.639 -2.849 1.00 0.00 C ATOM 1081 O GLN A 74 -4.257 -10.831 -3.453 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.727 -12.616 -4.289 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.837 -11.348 -5.138 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.700 -11.270 -6.158 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.879 -11.491 -7.344 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.478 -10.946 -5.632 1.00 0.00 N ATOM 0 H GLN A 74 -3.895 -13.186 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.833 -13.654 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.916 -12.507 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.475 -13.464 -4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.796 -11.335 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.812 -10.470 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.559 -10.774 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.300 -10.870 -6.231 1.00 0.00 H new ATOM 1095 N THR A 75 -3.182 -11.512 -1.584 1.00 0.00 N ATOM 1096 CA THR A 75 -3.598 -10.366 -0.793 1.00 0.00 C ATOM 1097 C THR A 75 -2.377 -9.577 -0.315 1.00 0.00 C ATOM 1098 O THR A 75 -2.481 -8.758 0.596 1.00 0.00 O ATOM 1099 CB THR A 75 -4.478 -10.874 0.350 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.811 -12.047 0.807 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.836 -11.384 -0.139 1.00 0.00 C ATOM 0 H THR A 75 -2.598 -12.184 -1.087 1.00 0.00 H new ATOM 0 HA THR A 75 -4.186 -9.667 -1.388 1.00 0.00 H new ATOM 0 HB THR A 75 -4.630 -10.074 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.314 -12.441 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.421 -11.733 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.369 -10.576 -0.640 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.685 -12.207 -0.838 1.00 0.00 H new ATOM 1109 N THR A 76 -1.249 -9.851 -0.953 1.00 0.00 N ATOM 1110 CA THR A 76 -0.010 -9.176 -0.604 1.00 0.00 C ATOM 1111 C THR A 76 0.780 -8.825 -1.867 1.00 0.00 C ATOM 1112 O THR A 76 0.994 -9.677 -2.727 1.00 0.00 O ATOM 1113 CB THR A 76 0.762 -10.075 0.364 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.887 -11.311 -0.335 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.054 -10.432 1.608 1.00 0.00 C ATOM 0 H THR A 76 -1.167 -10.531 -1.709 1.00 0.00 H new ATOM 0 HA THR A 76 -0.204 -8.227 -0.105 1.00 0.00 H new ATOM 0 HB THR A 76 1.684 -9.577 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.035 -11.135 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.540 -11.071 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.324 -9.520 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.960 -10.960 1.310 1.00 0.00 H new ATOM 1123 N ALA A 77 1.191 -7.567 -1.938 1.00 0.00 N ATOM 1124 CA ALA A 77 1.952 -7.092 -3.081 1.00 0.00 C ATOM 1125 C ALA A 77 3.064 -6.160 -2.596 1.00 0.00 C ATOM 1126 O ALA A 77 2.918 -5.493 -1.573 1.00 0.00 O ATOM 1127 CB ALA A 77 1.009 -6.408 -4.074 1.00 0.00 C ATOM 0 H ALA A 77 1.011 -6.863 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 77 2.424 -7.926 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.580 -6.052 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.256 -7.120 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.519 -5.564 -3.588 1.00 0.00 H new ATOM 1133 N GLN A 78 4.150 -6.143 -3.354 1.00 0.00 N ATOM 1134 CA GLN A 78 5.287 -5.303 -3.014 1.00 0.00 C ATOM 1135 C GLN A 78 5.054 -3.872 -3.503 1.00 0.00 C ATOM 1136 O GLN A 78 4.619 -3.662 -4.634 1.00 0.00 O ATOM 1137 CB GLN A 78 6.583 -5.875 -3.591 1.00 0.00 C ATOM 1138 CG GLN A 78 7.252 -6.826 -2.597 1.00 0.00 C ATOM 1139 CD GLN A 78 8.055 -7.906 -3.326 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.274 -7.884 -3.373 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.305 -8.849 -3.890 1.00 0.00 N ATOM 0 H GLN A 78 4.267 -6.697 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 78 5.388 -5.284 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.369 -6.405 -4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.266 -5.062 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.910 -6.262 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.494 -7.293 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.289 -8.807 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.746 -9.614 -4.400 1.00 0.00 H new ATOM 1150 N LEU A 79 5.355 -2.925 -2.626 1.00 0.00 N ATOM 1151 CA LEU A 79 5.184 -1.520 -2.954 1.00 0.00 C ATOM 1152 C LEU A 79 6.555 -0.845 -3.017 1.00 0.00 C ATOM 1153 O LEU A 79 7.403 -1.072 -2.156 1.00 0.00 O ATOM 1154 CB LEU A 79 4.216 -0.855 -1.974 1.00 0.00 C ATOM 1155 CG LEU A 79 2.820 -1.476 -1.884 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.808 -0.472 -1.329 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.383 -2.042 -3.237 1.00 0.00 C ATOM 0 H LEU A 79 5.716 -3.103 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 79 4.729 -1.411 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.665 -0.874 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.108 0.193 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 79 2.862 -2.311 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.824 -0.939 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.116 -0.159 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.762 0.398 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.388 -2.477 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.362 -1.242 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.087 -2.811 -3.554 1.00 0.00 H new ATOM 1169 N ASN A 80 6.731 -0.029 -4.046 1.00 0.00 N ATOM 1170 CA ASN A 80 7.985 0.681 -4.233 1.00 0.00 C ATOM 1171 C ASN A 80 7.913 2.032 -3.519 1.00 0.00 C ATOM 1172 O ASN A 80 7.188 2.927 -3.948 1.00 0.00 O ATOM 1173 CB ASN A 80 8.253 0.944 -5.716 1.00 0.00 C ATOM 1174 CG ASN A 80 9.124 -0.159 -6.320 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.341 -0.073 -6.362 1.00 0.00 O ATOM 1176 ND2 ASN A 80 8.436 -1.199 -6.784 1.00 0.00 N ATOM 0 H ASN A 80 6.026 0.156 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 80 8.786 0.064 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.308 1.002 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.747 1.908 -5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.926 -1.988 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.418 -1.208 -6.718 1.00 0.00 H new ATOM 1183 N LEU A 81 8.675 2.136 -2.440 1.00 0.00 N ATOM 1184 CA LEU A 81 8.707 3.363 -1.662 1.00 0.00 C ATOM 1185 C LEU A 81 10.036 4.081 -1.904 1.00 0.00 C ATOM 1186 O LEU A 81 11.008 3.466 -2.341 1.00 0.00 O ATOM 1187 CB LEU A 81 8.427 3.069 -0.187 1.00 0.00 C ATOM 1188 CG LEU A 81 7.152 2.277 0.109 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.870 2.233 1.612 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.965 2.834 -0.680 1.00 0.00 C ATOM 0 H LEU A 81 9.275 1.391 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 81 7.916 4.039 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.275 2.519 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.375 4.017 0.348 1.00 0.00 H new ATOM 0 HG LEU A 81 7.305 1.249 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.958 1.664 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.705 1.755 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.746 3.248 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.071 2.253 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.801 3.876 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.176 2.770 -1.748 1.00 0.00 H new ATOM 1202 N SER A 82 10.036 5.373 -1.610 1.00 0.00 N ATOM 1203 CA SER A 82 11.230 6.181 -1.790 1.00 0.00 C ATOM 1204 C SER A 82 11.441 7.082 -0.571 1.00 0.00 C ATOM 1205 O SER A 82 10.513 7.315 0.201 1.00 0.00 O ATOM 1206 CB SER A 82 11.137 7.025 -3.063 1.00 0.00 C ATOM 1207 OG SER A 82 11.949 6.501 -4.111 1.00 0.00 O ATOM 0 H SER A 82 9.228 5.880 -1.248 1.00 0.00 H new ATOM 0 HA SER A 82 12.084 5.511 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.100 7.068 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.444 8.048 -2.843 1.00 0.00 H new ATOM 0 HG SER A 82 11.861 7.066 -4.907 1.00 0.00 H new ATOM 1213 N PRO A 83 12.700 7.577 -0.434 1.00 0.00 N ATOM 1214 CA PRO A 83 13.045 8.447 0.678 1.00 0.00 C ATOM 1215 C PRO A 83 12.478 9.853 0.470 1.00 0.00 C ATOM 1216 O PRO A 83 12.470 10.363 -0.649 1.00 0.00 O ATOM 1217 CB PRO A 83 14.564 8.422 0.740 1.00 0.00 C ATOM 1218 CG PRO A 83 15.029 7.916 -0.616 1.00 0.00 C ATOM 1219 CD PRO A 83 13.825 7.322 -1.329 1.00 0.00 C ATOM 0 HA PRO A 83 12.615 8.113 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.963 9.416 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.911 7.769 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.456 8.730 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.810 7.166 -0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.671 7.789 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.956 6.254 -1.505 1.00 0.00 H new ATOM 1227 N TYR A 84 12.018 10.438 1.566 1.00 0.00 N ATOM 1228 CA TYR A 84 11.451 11.775 1.518 1.00 0.00 C ATOM 1229 C TYR A 84 10.185 11.803 0.659 1.00 0.00 C ATOM 1230 O TYR A 84 10.205 12.300 -0.466 1.00 0.00 O ATOM 1231 CB TYR A 84 12.514 12.661 0.867 1.00 0.00 C ATOM 1232 CG TYR A 84 13.934 12.408 1.379 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.316 12.883 2.617 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.832 11.704 0.603 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.652 12.644 3.099 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.168 11.466 1.084 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.512 11.948 2.309 1.00 0.00 C ATOM 1238 OH TYR A 84 17.774 11.722 2.763 1.00 0.00 O ATOM 0 H TYR A 84 12.026 10.011 2.492 1.00 0.00 H new ATOM 0 HA TYR A 84 11.181 12.113 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.494 12.502 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.257 13.706 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.613 13.434 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.533 11.331 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.964 13.010 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.881 10.917 0.486 1.00 0.00 H new ATOM 0 HH TYR A 84 18.276 11.212 2.094 1.00 0.00 H new ATOM 1248 N VAL A 85 9.114 11.262 1.222 1.00 0.00 N ATOM 1249 CA VAL A 85 7.842 11.219 0.521 1.00 0.00 C ATOM 1250 C VAL A 85 6.794 10.554 1.416 1.00 0.00 C ATOM 1251 O VAL A 85 6.978 9.420 1.855 1.00 0.00 O ATOM 1252 CB VAL A 85 8.011 10.516 -0.827 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.800 9.214 -0.672 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.654 10.259 -1.485 1.00 0.00 C ATOM 0 H VAL A 85 9.101 10.850 2.155 1.00 0.00 H new ATOM 0 HA VAL A 85 7.491 12.228 0.304 1.00 0.00 H new ATOM 0 HB VAL A 85 8.581 11.177 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.906 8.735 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.788 9.433 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.269 8.546 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.803 9.758 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.048 9.627 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.143 11.208 -1.648 1.00 0.00 H new ATOM 1264 N ASN A 86 5.718 11.287 1.658 1.00 0.00 N ATOM 1265 CA ASN A 86 4.641 10.782 2.492 1.00 0.00 C ATOM 1266 C ASN A 86 3.445 10.419 1.610 1.00 0.00 C ATOM 1267 O ASN A 86 3.207 11.060 0.587 1.00 0.00 O ATOM 1268 CB ASN A 86 4.182 11.839 3.499 1.00 0.00 C ATOM 1269 CG ASN A 86 3.051 11.302 4.380 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.320 10.132 4.952 1.00 0.00 O flip ATOM 1271 ND2 ASN A 86 2.005 11.911 4.530 1.00 0.00 N flip ATOM 0 H ASN A 86 5.569 12.227 1.291 1.00 0.00 H new ATOM 0 HA ASN A 86 5.012 9.909 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.023 12.141 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.844 12.729 2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.864 12.806 4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.271 11.526 5.125 1.00 0.00 H new ATOM 1278 N TYR A 87 2.724 9.393 2.037 1.00 0.00 N ATOM 1279 CA TYR A 87 1.559 8.937 1.298 1.00 0.00 C ATOM 1280 C TYR A 87 0.915 7.728 1.981 1.00 0.00 C ATOM 1281 O TYR A 87 1.384 7.278 3.025 1.00 0.00 O ATOM 1282 CB TYR A 87 2.072 8.516 -0.080 1.00 0.00 C ATOM 1283 CG TYR A 87 3.382 7.727 -0.042 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.473 6.577 0.715 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.472 8.165 -0.766 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.706 5.834 0.751 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.705 7.422 -0.730 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.761 6.293 0.026 1.00 0.00 C ATOM 1289 OH TYR A 87 6.926 5.591 0.060 1.00 0.00 O ATOM 0 H TYR A 87 2.924 8.864 2.886 1.00 0.00 H new ATOM 0 HA TYR A 87 0.808 9.725 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.310 7.911 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.214 9.407 -0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.619 6.234 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.400 9.065 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.791 4.933 1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.566 7.754 -1.291 1.00 0.00 H new ATOM 0 HH TYR A 87 7.669 6.200 0.254 1.00 0.00 H new ATOM 1299 N SER A 88 -0.149 7.237 1.362 1.00 0.00 N ATOM 1300 CA SER A 88 -0.862 6.090 1.897 1.00 0.00 C ATOM 1301 C SER A 88 -0.932 4.981 0.845 1.00 0.00 C ATOM 1302 O SER A 88 -0.400 5.129 -0.254 1.00 0.00 O ATOM 1303 CB SER A 88 -2.269 6.479 2.353 1.00 0.00 C ATOM 1304 OG SER A 88 -3.262 6.100 1.404 1.00 0.00 O ATOM 0 H SER A 88 -0.534 7.613 0.495 1.00 0.00 H new ATOM 0 HA SER A 88 -0.317 5.724 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.484 6.005 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.313 7.556 2.513 1.00 0.00 H new ATOM 0 HG SER A 88 -3.893 6.839 1.278 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.594 3.896 1.219 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.741 2.763 0.321 1.00 0.00 C ATOM 1312 C PHE A 89 -3.199 2.305 0.250 1.00 0.00 C ATOM 1313 O PHE A 89 -3.792 1.949 1.268 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.889 1.627 0.891 1.00 0.00 C ATOM 1315 CG PHE A 89 0.606 1.943 0.959 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.231 2.506 -0.110 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.310 1.662 2.088 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.619 2.800 -0.048 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.698 1.956 2.150 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.323 2.519 1.081 1.00 0.00 C ATOM 0 H PHE A 89 -2.034 3.777 2.131 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.427 3.042 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.245 1.387 1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.034 0.736 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.671 2.730 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.814 1.215 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.115 3.247 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.258 1.732 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.378 2.743 1.129 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.736 2.329 -0.961 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.113 1.921 -1.178 1.00 0.00 C ATOM 1332 C ARG A 90 -5.160 0.587 -1.926 1.00 0.00 C ATOM 1333 O ARG A 90 -4.195 0.208 -2.586 1.00 0.00 O ATOM 1334 CB ARG A 90 -5.880 2.975 -1.979 1.00 0.00 C ATOM 1335 CG ARG A 90 -7.334 3.069 -1.511 1.00 0.00 C ATOM 1336 CD ARG A 90 -7.753 4.528 -1.315 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.851 5.207 -2.626 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.623 6.277 -2.862 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -9.368 6.795 -1.877 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.649 6.828 -4.083 1.00 0.00 N ATOM 0 H ARG A 90 -3.242 2.625 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.584 1.810 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.395 3.945 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.851 2.723 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.987 2.594 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.455 2.523 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.713 4.573 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.028 5.041 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.296 4.838 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.348 6.375 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.956 7.609 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.081 6.433 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.236 7.642 -4.263 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.293 -0.087 -1.797 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.479 -1.371 -2.452 1.00 0.00 C ATOM 1356 C VAL A 91 -7.881 -1.430 -3.060 1.00 0.00 C ATOM 1357 O VAL A 91 -8.857 -1.043 -2.419 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.207 -2.507 -1.464 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.567 -3.863 -2.076 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.752 -2.487 -0.992 1.00 0.00 C ATOM 0 H VAL A 91 -7.092 0.232 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.766 -1.490 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.843 -2.353 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.364 -4.654 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.625 -3.874 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.969 -4.028 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.586 -3.305 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.090 -2.604 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.542 -1.538 -0.499 1.00 0.00 H new ATOM 1370 N MET A 92 -7.938 -1.916 -4.292 1.00 0.00 N ATOM 1371 CA MET A 92 -9.205 -2.031 -4.994 1.00 0.00 C ATOM 1372 C MET A 92 -9.433 -3.462 -5.484 1.00 0.00 C ATOM 1373 O MET A 92 -8.478 -4.199 -5.725 1.00 0.00 O ATOM 1374 CB MET A 92 -9.215 -1.074 -6.188 1.00 0.00 C ATOM 1375 CG MET A 92 -9.420 0.371 -5.731 1.00 0.00 C ATOM 1376 SD MET A 92 -8.232 1.438 -6.529 1.00 0.00 S ATOM 1377 CE MET A 92 -6.733 0.881 -5.736 1.00 0.00 C ATOM 0 H MET A 92 -7.127 -2.235 -4.822 1.00 0.00 H new ATOM 0 HA MET A 92 -10.007 -1.772 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.275 -1.157 -6.733 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.009 -1.357 -6.879 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.432 0.697 -5.971 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.311 0.438 -4.648 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.356 1.665 -5.079 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.942 -0.014 -5.150 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.984 0.652 -6.494 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.704 -3.813 -5.616 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.069 -5.143 -6.073 1.00 0.00 C ATOM 1389 C ALA A 93 -11.864 -5.029 -7.376 1.00 0.00 C ATOM 1390 O ALA A 93 -12.727 -4.163 -7.507 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.852 -5.863 -4.973 1.00 0.00 C ATOM 0 H ALA A 93 -11.494 -3.199 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.178 -5.736 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.126 -6.861 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.234 -5.943 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.755 -5.299 -4.740 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.543 -5.917 -8.306 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.216 -5.927 -9.593 1.00 0.00 C ATOM 1399 C VAL A 94 -12.621 -7.362 -9.941 1.00 0.00 C ATOM 1400 O VAL A 94 -11.797 -8.273 -9.888 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.323 -5.284 -10.656 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.151 -4.802 -11.849 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.500 -4.140 -10.061 1.00 0.00 C ATOM 0 H VAL A 94 -10.826 -6.634 -8.193 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.128 -5.332 -9.551 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.629 -6.044 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.492 -4.349 -12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.672 -5.649 -12.296 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.879 -4.064 -11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.874 -3.700 -10.837 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.170 -3.379 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.868 -4.524 -9.260 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.890 -7.517 -10.289 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.414 -8.824 -10.645 1.00 0.00 C ATOM 1415 C ASN A 95 -15.224 -8.710 -11.938 1.00 0.00 C ATOM 1416 O ASN A 95 -15.187 -7.679 -12.608 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.340 -9.363 -9.553 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.558 -8.454 -9.370 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.882 -7.630 -10.210 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.211 -8.649 -8.228 1.00 0.00 N ATOM 0 H ASN A 95 -14.571 -6.759 -10.332 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.570 -9.502 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.668 -10.369 -9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.794 -9.439 -8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.037 -8.092 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.886 -9.356 -7.569 1.00 0.00 H new ATOM 1427 N SER A 96 -15.936 -9.783 -12.250 1.00 0.00 N ATOM 1428 CA SER A 96 -16.753 -9.815 -13.451 1.00 0.00 C ATOM 1429 C SER A 96 -17.540 -8.510 -13.584 1.00 0.00 C ATOM 1430 O SER A 96 -17.579 -7.912 -14.659 1.00 0.00 O ATOM 1431 CB SER A 96 -17.708 -11.011 -13.434 1.00 0.00 C ATOM 1432 OG SER A 96 -17.307 -12.027 -14.349 1.00 0.00 O ATOM 0 H SER A 96 -15.964 -10.636 -11.692 1.00 0.00 H new ATOM 0 HA SER A 96 -16.093 -9.922 -14.312 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.751 -11.426 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.714 -10.675 -13.684 1.00 0.00 H new ATOM 0 HG SER A 96 -17.941 -12.773 -14.307 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.146 -8.105 -12.478 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.928 -6.881 -12.458 1.00 0.00 C ATOM 1440 C ILE A 97 -18.050 -5.712 -12.907 1.00 0.00 C ATOM 1441 O ILE A 97 -18.017 -5.374 -14.089 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.568 -6.677 -11.083 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.420 -7.886 -10.690 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.368 -5.373 -11.039 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.831 -7.774 -11.270 1.00 0.00 C ATOM 0 H ILE A 97 -18.111 -8.603 -11.589 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.756 -6.947 -13.163 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.771 -6.591 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.947 -8.800 -11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.474 -7.960 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.812 -5.252 -10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.705 -4.532 -11.244 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.157 -5.405 -11.790 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.416 -8.646 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.310 -6.871 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.775 -7.725 -12.357 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.360 -5.126 -11.939 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.484 -4.001 -12.220 1.00 0.00 C ATOM 1459 C GLY A 98 -15.471 -3.800 -11.092 1.00 0.00 C ATOM 1460 O GLY A 98 -15.141 -4.743 -10.374 1.00 0.00 O ATOM 0 H GLY A 98 -17.390 -5.409 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.958 -4.171 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.078 -3.096 -12.346 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.005 -2.565 -10.971 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.036 -2.229 -9.942 1.00 0.00 C ATOM 1466 C LYS A 99 -14.746 -1.502 -8.797 1.00 0.00 C ATOM 1467 O LYS A 99 -15.325 -0.435 -8.999 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.870 -1.441 -10.541 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.896 -0.988 -9.451 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.233 0.339 -9.825 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.387 0.192 -11.091 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.117 0.939 -10.955 1.00 0.00 N ATOM 0 H LYS A 99 -15.281 -1.786 -11.568 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.597 -3.134 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.345 -2.059 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.251 -0.572 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.428 -0.879 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.132 -1.751 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.997 1.100 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.606 0.681 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.178 -0.862 -11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.943 0.562 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.555 0.829 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.322 1.947 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.580 0.567 -10.145 1.00 0.00 H new ATOM 1486 N SER A 100 -14.677 -2.108 -7.621 1.00 0.00 N ATOM 1487 CA SER A 100 -15.306 -1.532 -6.445 1.00 0.00 C ATOM 1488 C SER A 100 -14.561 -0.264 -6.021 1.00 0.00 C ATOM 1489 O SER A 100 -13.560 0.106 -6.633 1.00 0.00 O ATOM 1490 CB SER A 100 -15.342 -2.536 -5.291 1.00 0.00 C ATOM 1491 OG SER A 100 -14.066 -2.684 -4.672 1.00 0.00 O ATOM 0 H SER A 100 -14.195 -2.992 -7.457 1.00 0.00 H new ATOM 0 HA SER A 100 -16.334 -1.275 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.070 -2.209 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.679 -3.504 -5.663 1.00 0.00 H new ATOM 0 HG SER A 100 -13.997 -3.577 -4.274 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.078 0.367 -4.978 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.475 1.586 -4.465 1.00 0.00 C ATOM 1499 C LEU A 101 -13.134 1.249 -3.809 1.00 0.00 C ATOM 1500 O LEU A 101 -12.873 0.093 -3.479 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.447 2.316 -3.537 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.552 3.123 -4.223 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.618 3.559 -3.217 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.967 4.311 -4.990 1.00 0.00 C ATOM 0 H LEU A 101 -15.908 0.057 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.267 2.280 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.915 1.581 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.874 2.990 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.043 2.479 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.391 4.131 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.064 2.678 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.159 4.179 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.773 4.868 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.435 4.964 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.276 3.948 -5.751 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.298 2.307 -3.635 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.991 2.135 -3.024 1.00 0.00 C ATOM 1518 C PRO A 102 -11.114 1.939 -1.512 1.00 0.00 C ATOM 1519 O PRO A 102 -11.981 2.533 -0.874 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.213 3.386 -3.400 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.253 4.416 -3.809 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.573 3.690 -4.013 1.00 0.00 C ATOM 0 HA PRO A 102 -10.476 1.241 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.619 3.744 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.520 3.184 -4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.354 5.183 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.950 4.921 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.361 4.120 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.907 3.759 -5.048 1.00 0.00 H new ATOM 1530 N SER A 103 -10.233 1.102 -0.982 1.00 0.00 N ATOM 1531 CA SER A 103 -10.232 0.820 0.443 1.00 0.00 C ATOM 1532 C SER A 103 -10.120 2.125 1.235 1.00 0.00 C ATOM 1533 O SER A 103 -9.651 3.134 0.711 1.00 0.00 O ATOM 1534 CB SER A 103 -9.089 -0.126 0.816 1.00 0.00 C ATOM 1535 OG SER A 103 -7.910 0.582 1.191 1.00 0.00 O ATOM 0 H SER A 103 -9.515 0.610 -1.515 1.00 0.00 H new ATOM 0 HA SER A 103 -11.172 0.329 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.404 -0.768 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.867 -0.777 -0.029 1.00 0.00 H new ATOM 0 HG SER A 103 -7.923 0.751 2.156 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.560 2.062 2.483 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.516 3.226 3.352 1.00 0.00 C ATOM 1543 C GLU A 104 -9.218 4.006 3.128 1.00 0.00 C ATOM 1544 O GLU A 104 -9.225 5.061 2.497 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.666 2.821 4.819 1.00 0.00 C ATOM 1546 CG GLU A 104 -12.033 2.182 5.074 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.996 1.286 6.314 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.604 1.808 7.380 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.362 0.100 6.168 1.00 0.00 O ATOM 0 H GLU A 104 -10.949 1.223 2.913 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.355 3.875 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.877 2.120 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.545 3.697 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.784 2.961 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.332 1.595 4.205 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.136 3.456 3.659 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.834 4.087 3.525 1.00 0.00 C ATOM 1558 C ALA A 105 -5.882 3.507 4.573 1.00 0.00 C ATOM 1559 O ALA A 105 -6.091 3.684 5.772 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.986 5.604 3.651 1.00 0.00 C ATOM 0 H ALA A 105 -8.134 2.581 4.183 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.408 3.883 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.009 6.077 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.649 5.970 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.409 5.848 4.626 1.00 0.00 H new ATOM 1566 N SER A 106 -4.856 2.827 4.083 1.00 0.00 N ATOM 1567 CA SER A 106 -3.871 2.221 4.962 1.00 0.00 C ATOM 1568 C SER A 106 -3.263 3.284 5.879 1.00 0.00 C ATOM 1569 O SER A 106 -3.425 4.480 5.642 1.00 0.00 O ATOM 1570 CB SER A 106 -2.772 1.522 4.159 1.00 0.00 C ATOM 1571 OG SER A 106 -2.188 0.442 4.881 1.00 0.00 O ATOM 0 H SER A 106 -4.686 2.682 3.088 1.00 0.00 H new ATOM 0 HA SER A 106 -4.373 1.469 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.188 1.149 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.998 2.244 3.898 1.00 0.00 H new ATOM 0 HG SER A 106 -1.741 -0.166 4.256 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.577 2.810 6.908 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.944 3.705 7.862 1.00 0.00 C ATOM 1579 C GLU A 107 -0.899 4.575 7.162 1.00 0.00 C ATOM 1580 O GLU A 107 -0.364 4.193 6.123 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.319 2.921 9.018 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.654 1.638 8.515 1.00 0.00 C ATOM 1583 CD GLU A 107 0.541 1.259 9.391 1.00 0.00 C ATOM 1584 OE1 GLU A 107 0.350 1.222 10.626 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.619 1.016 8.807 1.00 0.00 O ATOM 0 H GLU A 107 -2.445 1.817 7.102 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.710 4.358 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.581 3.542 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.087 2.673 9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.380 0.825 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.325 1.775 7.485 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.641 5.730 7.759 1.00 0.00 N ATOM 1593 CA GLN A 108 0.330 6.657 7.205 1.00 0.00 C ATOM 1594 C GLN A 108 1.752 6.197 7.534 1.00 0.00 C ATOM 1595 O GLN A 108 2.260 6.471 8.620 1.00 0.00 O ATOM 1596 CB GLN A 108 0.082 8.079 7.713 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.665 8.912 6.670 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.560 10.406 6.983 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.339 11.051 6.246 1.00 0.00 O flip ATOM 1600 NE2 GLN A 108 -1.250 10.937 7.837 1.00 0.00 N flip ATOM 0 H GLN A 108 -1.088 6.044 8.620 1.00 0.00 H new ATOM 0 HA GLN A 108 0.215 6.668 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.496 8.043 8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.033 8.555 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.254 8.715 5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.713 8.615 6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.922 10.382 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.155 11.936 8.021 1.00 0.00 H new ATOM 1609 N TYR A 109 2.353 5.507 6.577 1.00 0.00 N ATOM 1610 CA TYR A 109 3.706 5.006 6.752 1.00 0.00 C ATOM 1611 C TYR A 109 4.706 5.834 5.942 1.00 0.00 C ATOM 1612 O TYR A 109 4.579 5.950 4.724 1.00 0.00 O ATOM 1613 CB TYR A 109 3.698 3.573 6.216 1.00 0.00 C ATOM 1614 CG TYR A 109 5.089 2.952 6.078 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.144 3.452 6.814 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.290 1.893 5.216 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.454 2.868 6.684 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.600 1.309 5.086 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.617 1.825 5.826 1.00 0.00 C ATOM 1620 OH TYR A 109 8.854 1.274 5.703 1.00 0.00 O ATOM 0 H TYR A 109 1.928 5.283 5.677 1.00 0.00 H new ATOM 0 HA TYR A 109 4.002 5.059 7.800 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.098 2.951 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.209 3.563 5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.987 4.281 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.465 1.502 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.288 3.249 7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.771 0.480 4.416 1.00 0.00 H new ATOM 0 HH TYR A 109 8.821 0.538 5.057 1.00 0.00 H new ATOM 1630 N LEU A 110 5.678 6.389 6.652 1.00 0.00 N ATOM 1631 CA LEU A 110 6.699 7.203 6.015 1.00 0.00 C ATOM 1632 C LEU A 110 7.951 6.354 5.783 1.00 0.00 C ATOM 1633 O LEU A 110 8.153 5.343 6.455 1.00 0.00 O ATOM 1634 CB LEU A 110 6.958 8.471 6.829 1.00 0.00 C ATOM 1635 CG LEU A 110 7.865 9.515 6.175 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.316 9.941 4.811 1.00 0.00 C ATOM 1637 CD2 LEU A 110 8.084 10.711 7.103 1.00 0.00 C ATOM 0 H LEU A 110 5.780 6.291 7.662 1.00 0.00 H new ATOM 0 HA LEU A 110 6.359 7.544 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.999 8.939 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.399 8.182 7.783 1.00 0.00 H new ATOM 0 HG LEU A 110 8.840 9.059 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.979 10.684 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.255 9.072 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.322 10.371 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.732 11.438 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.125 11.176 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.552 10.373 8.028 1.00 0.00 H new ATOM 1649 N THR A 111 8.759 6.796 4.831 1.00 0.00 N ATOM 1650 CA THR A 111 9.985 6.089 4.503 1.00 0.00 C ATOM 1651 C THR A 111 11.188 7.028 4.617 1.00 0.00 C ATOM 1652 O THR A 111 11.140 8.164 4.148 1.00 0.00 O ATOM 1653 CB THR A 111 9.821 5.479 3.109 1.00 0.00 C ATOM 1654 OG1 THR A 111 9.513 6.594 2.276 1.00 0.00 O ATOM 1655 CG2 THR A 111 8.585 4.583 3.004 1.00 0.00 C ATOM 0 H THR A 111 8.589 7.635 4.276 1.00 0.00 H new ATOM 0 HA THR A 111 10.175 5.279 5.208 1.00 0.00 H new ATOM 0 HB THR A 111 10.711 4.901 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.267 6.773 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.515 4.176 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.666 3.766 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.692 5.169 3.221 1.00 0.00 H new ATOM 1663 N LYS A 112 12.238 6.518 5.243 1.00 0.00 N ATOM 1664 CA LYS A 112 13.452 7.296 5.426 1.00 0.00 C ATOM 1665 C LYS A 112 13.080 8.750 5.723 1.00 0.00 C ATOM 1666 O LYS A 112 12.072 9.016 6.376 1.00 0.00 O ATOM 1667 CB LYS A 112 14.379 7.132 4.220 1.00 0.00 C ATOM 1668 CG LYS A 112 14.509 5.660 3.823 1.00 0.00 C ATOM 1669 CD LYS A 112 13.801 5.386 2.495 1.00 0.00 C ATOM 1670 CE LYS A 112 14.648 4.479 1.600 1.00 0.00 C ATOM 1671 NZ LYS A 112 13.866 4.035 0.424 1.00 0.00 N ATOM 0 H LYS A 112 12.274 5.575 5.630 1.00 0.00 H new ATOM 0 HA LYS A 112 14.015 6.929 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.991 7.706 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.363 7.537 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.563 5.394 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.082 5.030 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.835 4.918 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.604 6.328 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.540 5.013 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.987 3.612 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.511 3.656 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.196 3.294 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.342 4.842 0.031 1.00 0.00 H new ATOM 1685 N ALA A 113 13.914 9.653 5.229 1.00 0.00 N ATOM 1686 CA ALA A 113 13.685 11.074 5.433 1.00 0.00 C ATOM 1687 C ALA A 113 14.306 11.499 6.765 1.00 0.00 C ATOM 1688 O ALA A 113 14.407 10.696 7.692 1.00 0.00 O ATOM 1689 CB ALA A 113 12.184 11.364 5.370 1.00 0.00 C ATOM 0 H ALA A 113 14.749 9.429 4.688 1.00 0.00 H new ATOM 0 HA ALA A 113 14.162 11.657 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.013 12.430 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.797 11.071 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.671 10.799 6.148 1.00 0.00 H new ATOM 1695 N SER A 114 14.705 12.761 6.819 1.00 0.00 N ATOM 1696 CA SER A 114 15.313 13.303 8.023 1.00 0.00 C ATOM 1697 C SER A 114 14.297 14.158 8.783 1.00 0.00 C ATOM 1698 O SER A 114 14.374 15.385 8.762 1.00 0.00 O ATOM 1699 CB SER A 114 16.557 14.129 7.688 1.00 0.00 C ATOM 1700 OG SER A 114 17.651 13.818 8.546 1.00 0.00 O ATOM 0 H SER A 114 14.619 13.424 6.049 1.00 0.00 H new ATOM 0 HA SER A 114 15.622 12.470 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.845 13.947 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.321 15.190 7.771 1.00 0.00 H new ATOM 0 HG SER A 114 18.426 14.365 8.299 1.00 0.00 H new ATOM 1706 N GLU A 115 13.368 13.475 9.436 1.00 0.00 N ATOM 1707 CA GLU A 115 12.338 14.157 10.201 1.00 0.00 C ATOM 1708 C GLU A 115 11.530 13.148 11.020 1.00 0.00 C ATOM 1709 O GLU A 115 10.812 12.322 10.460 1.00 0.00 O ATOM 1710 CB GLU A 115 11.426 14.975 9.286 1.00 0.00 C ATOM 1711 CG GLU A 115 11.217 16.387 9.839 1.00 0.00 C ATOM 1712 CD GLU A 115 9.728 16.702 9.988 1.00 0.00 C ATOM 1713 OE1 GLU A 115 8.983 15.767 10.352 1.00 0.00 O ATOM 1714 OE2 GLU A 115 9.367 17.872 9.735 1.00 0.00 O ATOM 0 H GLU A 115 13.307 12.457 9.451 1.00 0.00 H new ATOM 0 HA GLU A 115 12.823 14.850 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.862 15.032 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.463 14.474 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.711 16.479 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.682 17.115 9.173 1.00 0.00 H new ATOM 1721 N PRO A 116 11.679 13.251 12.368 1.00 0.00 N ATOM 1722 CA PRO A 116 10.972 12.358 13.270 1.00 0.00 C ATOM 1723 C PRO A 116 9.493 12.737 13.370 1.00 0.00 C ATOM 1724 O PRO A 116 8.975 13.458 12.518 1.00 0.00 O ATOM 1725 CB PRO A 116 11.706 12.475 14.596 1.00 0.00 C ATOM 1726 CG PRO A 116 12.501 13.768 14.519 1.00 0.00 C ATOM 1727 CD PRO A 116 12.522 14.217 13.067 1.00 0.00 C ATOM 0 HA PRO A 116 10.969 11.325 12.922 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.005 12.497 15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.364 11.621 14.755 1.00 0.00 H new ATOM 0 HG2 PRO A 116 12.047 14.533 15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.516 13.614 14.886 1.00 0.00 H new ATOM 0 HD2 PRO A 116 12.135 15.230 12.960 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.536 14.219 12.668 1.00 0.00 H new ATOM 1735 N ASP A 117 8.855 12.234 14.417 1.00 0.00 N ATOM 1736 CA ASP A 117 7.447 12.511 14.638 1.00 0.00 C ATOM 1737 C ASP A 117 6.605 11.600 13.743 1.00 0.00 C ATOM 1738 O ASP A 117 5.413 11.840 13.552 1.00 0.00 O ATOM 1739 CB ASP A 117 7.109 13.962 14.288 1.00 0.00 C ATOM 1740 CG ASP A 117 5.968 14.575 15.103 1.00 0.00 C ATOM 1741 OD1 ASP A 117 5.203 13.783 15.694 1.00 0.00 O ATOM 1742 OD2 ASP A 117 5.887 15.823 15.116 1.00 0.00 O ATOM 0 H ASP A 117 9.288 11.636 15.121 1.00 0.00 H new ATOM 0 HA ASP A 117 7.231 12.335 15.692 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.002 14.571 14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 117 6.849 14.014 13.231 1.00 0.00 H new ATOM 1747 N LYS A 118 7.257 10.574 13.217 1.00 0.00 N ATOM 1748 CA LYS A 118 6.584 9.626 12.347 1.00 0.00 C ATOM 1749 C LYS A 118 5.685 10.386 11.369 1.00 0.00 C ATOM 1750 O LYS A 118 4.531 10.677 11.679 1.00 0.00 O ATOM 1751 CB LYS A 118 5.841 8.574 13.173 1.00 0.00 C ATOM 1752 CG LYS A 118 6.504 7.202 13.038 1.00 0.00 C ATOM 1753 CD LYS A 118 6.350 6.388 14.324 1.00 0.00 C ATOM 1754 CE LYS A 118 5.467 5.160 14.094 1.00 0.00 C ATOM 1755 NZ LYS A 118 6.039 3.976 14.774 1.00 0.00 N ATOM 0 H LYS A 118 8.245 10.379 13.377 1.00 0.00 H new ATOM 0 HA LYS A 118 7.311 9.075 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.826 8.873 14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.804 8.514 12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.058 6.659 12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.562 7.327 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.331 6.073 14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.914 7.013 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.462 5.352 14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.376 4.965 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.428 3.151 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.989 3.784 14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.103 4.160 15.796 1.00 0.00 H new ATOM 1769 N ASN A 119 6.249 10.686 10.208 1.00 0.00 N ATOM 1770 CA ASN A 119 5.514 11.408 9.184 1.00 0.00 C ATOM 1771 C ASN A 119 5.102 12.778 9.726 1.00 0.00 C ATOM 1772 O ASN A 119 4.409 12.865 10.739 1.00 0.00 O ATOM 1773 CB ASN A 119 4.243 10.655 8.785 1.00 0.00 C ATOM 1774 CG ASN A 119 3.279 11.570 8.026 1.00 0.00 C ATOM 1775 OD1 ASN A 119 3.764 12.030 6.876 1.00 0.00 O flip ATOM 1776 ND2 ASN A 119 2.170 11.839 8.455 1.00 0.00 N flip ATOM 0 H ASN A 119 7.206 10.442 9.954 1.00 0.00 H new ATOM 0 HA ASN A 119 6.162 11.510 8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.503 9.799 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.753 10.264 9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.860 11.451 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.552 12.452 7.923 1.00 0.00 H new ATOM 1783 N PRO A 120 5.558 13.840 9.010 1.00 0.00 N ATOM 1784 CA PRO A 120 5.244 15.202 9.409 1.00 0.00 C ATOM 1785 C PRO A 120 3.793 15.552 9.071 1.00 0.00 C ATOM 1786 O PRO A 120 3.450 15.731 7.903 1.00 0.00 O ATOM 1787 CB PRO A 120 6.251 16.070 8.673 1.00 0.00 C ATOM 1788 CG PRO A 120 6.787 15.214 7.537 1.00 0.00 C ATOM 1789 CD PRO A 120 6.381 13.774 7.806 1.00 0.00 C ATOM 0 HA PRO A 120 5.320 15.353 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.780 16.976 8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.055 16.385 9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.385 15.552 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.872 15.299 7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.823 13.357 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 120 7.253 13.138 7.957 1.00 0.00 H new ATOM 1797 N THR A 121 2.980 15.638 10.114 1.00 0.00 N ATOM 1798 CA THR A 121 1.575 15.963 9.942 1.00 0.00 C ATOM 1799 C THR A 121 0.953 16.367 11.280 1.00 0.00 C ATOM 1800 O THR A 121 1.587 16.239 12.327 1.00 0.00 O ATOM 1801 CB THR A 121 0.887 14.760 9.291 1.00 0.00 C ATOM 1802 OG1 THR A 121 -0.428 15.227 9.001 1.00 0.00 O ATOM 1803 CG2 THR A 121 0.666 13.610 10.275 1.00 0.00 C ATOM 0 H THR A 121 3.268 15.488 11.081 1.00 0.00 H new ATOM 0 HA THR A 121 1.446 16.824 9.286 1.00 0.00 H new ATOM 0 HB THR A 121 1.487 14.409 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.943 14.510 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 121 0.175 12.782 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.627 13.276 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 121 0.038 13.951 11.098 1.00 0.00 H new ATOM 1811 N SER A 122 -0.279 16.848 11.203 1.00 0.00 N ATOM 1812 CA SER A 122 -0.993 17.272 12.395 1.00 0.00 C ATOM 1813 C SER A 122 -2.164 16.327 12.668 1.00 0.00 C ATOM 1814 O SER A 122 -3.170 16.358 11.960 1.00 0.00 O ATOM 1815 CB SER A 122 -1.494 18.711 12.254 1.00 0.00 C ATOM 1816 OG SER A 122 -0.934 19.571 13.244 1.00 0.00 O ATOM 0 H SER A 122 -0.801 16.954 10.333 1.00 0.00 H new ATOM 0 HA SER A 122 -0.302 17.237 13.238 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.242 19.087 11.262 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.581 18.726 12.334 1.00 0.00 H new ATOM 0 HG SER A 122 -1.277 20.480 13.119 1.00 0.00 H new ATOM 1822 N GLY A 123 -1.995 15.508 13.695 1.00 0.00 N ATOM 1823 CA GLY A 123 -3.026 14.555 14.070 1.00 0.00 C ATOM 1824 C GLY A 123 -3.092 14.388 15.590 1.00 0.00 C ATOM 1825 O GLY A 123 -2.616 15.245 16.333 1.00 0.00 O ATOM 0 H GLY A 123 -1.159 15.484 14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.992 14.893 13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.823 13.591 13.603 1.00 0.00 H new ATOM 1829 N PRO A 124 -3.700 13.249 16.017 1.00 0.00 N ATOM 1830 CA PRO A 124 -3.834 12.958 17.434 1.00 0.00 C ATOM 1831 C PRO A 124 -2.499 12.509 18.031 1.00 0.00 C ATOM 1832 O PRO A 124 -1.490 12.451 17.329 1.00 0.00 O ATOM 1833 CB PRO A 124 -4.911 11.889 17.517 1.00 0.00 C ATOM 1834 CG PRO A 124 -5.009 11.288 16.124 1.00 0.00 C ATOM 1835 CD PRO A 124 -4.275 12.212 15.165 1.00 0.00 C ATOM 0 HA PRO A 124 -4.116 13.834 18.018 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -4.651 11.128 18.253 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -5.864 12.318 17.825 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -4.568 10.291 16.106 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.052 11.180 15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -3.501 11.677 14.614 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.955 12.638 14.427 1.00 0.00 H new ATOM 1843 N SER A 125 -2.535 12.204 19.319 1.00 0.00 N ATOM 1844 CA SER A 125 -1.340 11.762 20.018 1.00 0.00 C ATOM 1845 C SER A 125 -1.722 11.119 21.353 1.00 0.00 C ATOM 1846 O SER A 125 -2.493 11.690 22.123 1.00 0.00 O ATOM 1847 CB SER A 125 -0.374 12.926 20.246 1.00 0.00 C ATOM 1848 OG SER A 125 0.886 12.484 20.745 1.00 0.00 O ATOM 0 H SER A 125 -3.373 12.254 19.898 1.00 0.00 H new ATOM 0 HA SER A 125 -0.835 11.022 19.398 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.225 13.462 19.309 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.816 13.631 20.950 1.00 0.00 H new ATOM 0 HG SER A 125 1.475 13.256 20.876 1.00 0.00 H new ATOM 1854 N SER A 126 -1.165 9.940 21.586 1.00 0.00 N ATOM 1855 CA SER A 126 -1.438 9.213 22.815 1.00 0.00 C ATOM 1856 C SER A 126 -0.218 8.378 23.210 1.00 0.00 C ATOM 1857 O SER A 126 0.406 7.744 22.361 1.00 0.00 O ATOM 1858 CB SER A 126 -2.668 8.317 22.663 1.00 0.00 C ATOM 1859 OG SER A 126 -2.901 7.528 23.827 1.00 0.00 O ATOM 0 H SER A 126 -0.526 9.470 20.945 1.00 0.00 H new ATOM 0 HA SER A 126 -1.645 9.937 23.603 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.544 8.934 22.462 1.00 0.00 H new ATOM 0 HB3 SER A 126 -2.535 7.662 21.802 1.00 0.00 H new ATOM 0 HG SER A 126 -3.696 6.971 23.691 1.00 0.00 H new ATOM 1865 N GLY A 127 0.084 8.405 24.500 1.00 0.00 N ATOM 1866 CA GLY A 127 1.218 7.658 25.018 1.00 0.00 C ATOM 1867 C GLY A 127 1.839 8.369 26.222 1.00 0.00 C ATOM 1868 O GLY A 127 3.049 8.305 26.429 1.00 0.00 O ATOM 0 H GLY A 127 -0.436 8.932 25.201 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.897 6.657 25.308 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.967 7.538 24.235 1.00 0.00 H new TER 1872 GLY A 127