USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -95:sc= 1.18 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 THR OG1 : rot 47:sc= 0.392 USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc=-0.00432 USER MOD Single : A 1 ASN :FLIP amide:sc= -2.66 F(o=-7.7!,f=-2.7) USER MOD Single : A 1 ASN N :NH3+ 141:sc= 0.0614 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.054 USER MOD Single : A 28 THR OG1 : rot -9:sc= 1.02 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.747! USER MOD Single : A 37 TYR OH : rot 30:sc= -3.02! USER MOD Single : A 40 SER OG : rot -45:sc= 0.804 USER MOD Single : A 41 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.1) USER MOD Single : A 42 SER OG : rot -8:sc= 0.985 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0684 F(o=-1.3!,f=-0.068) USER MOD Single : A 45 THR OG1 : rot -5:sc= -1.69! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -5.99! C(o=-6!,f=-6.4!) USER MOD Single : A 50 SER OG : rot -57:sc= 0.233 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 57 ASN : amide:sc= -0.0818 K(o=-0.082,f=-5.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 141:sc= -0.0681 USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.923 (180deg=-3.14!) USER MOD Single : A 67 HIS : no HE2:sc= -2.93 K(o=-2.9,f=-6!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.793 F(o=-4.2!,f=-0.79) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= -0.895! (180deg=-7.77!) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 83 SER OG : rot 30:sc= 0.1 USER MOD Single : A 86 SER OG : rot -74:sc= 1.27 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.71 F(o=-8.1!,f=-2.7) USER MOD Single : A 91 SER OG : rot -14:sc= 0.898 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -94:sc= 1.47 USER MOD Single : A 109 GLN : amide:sc= 0.299 K(o=0.3,f=-0.33) USER MOD Single : A 116 SER OG : rot 83:sc= 1.2 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.14 F(o=-1.7,f=-1.1) USER MOD Single : A 121 GLN :FLIP amide:sc=-0.00108 F(o=-0.96,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.560 -1.943 -0.694 1.00 0.00 N ATOM 21 CA ASN A 1 31.504 -0.963 -0.922 1.00 0.00 C ATOM 22 C ASN A 1 30.652 -1.342 -2.128 1.00 0.00 C ATOM 23 O ASN A 1 31.100 -2.071 -3.014 1.00 0.00 O ATOM 24 CB ASN A 1 32.108 0.428 -1.120 1.00 0.00 C ATOM 25 CG ASN A 1 32.308 1.156 0.194 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.295 1.909 0.605 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.357 1.046 0.829 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.432 -1.454 -0.407 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.268 -2.600 0.058 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.734 -2.476 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 1 30.860 -0.950 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.066 0.337 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.456 1.017 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 1 34.109 0.455 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.474 1.546 1.711 1.00 0.00 H new ATOM 34 N CYS A 2 29.420 -0.841 -2.156 1.00 0.00 N ATOM 35 CA CYS A 2 28.501 -1.128 -3.252 1.00 0.00 C ATOM 36 C CYS A 2 28.375 0.063 -4.196 1.00 0.00 C ATOM 37 O CYS A 2 28.925 1.134 -3.937 1.00 0.00 O ATOM 38 CB CYS A 2 27.122 -1.507 -2.710 1.00 0.00 C ATOM 39 SG CYS A 2 27.063 -3.136 -1.897 1.00 0.00 S ATOM 0 H CYS A 2 29.036 -0.234 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 2 28.909 -1.969 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.802 -0.746 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.406 -1.497 -3.531 1.00 0.00 H new ATOM 44 N GLY A 3 27.650 -0.132 -5.291 1.00 0.00 N ATOM 45 CA GLY A 3 27.436 0.946 -6.238 1.00 0.00 C ATOM 46 C GLY A 3 26.345 1.893 -5.772 1.00 0.00 C ATOM 47 O GLY A 3 25.597 1.561 -4.855 1.00 0.00 O ATOM 0 H GLY A 3 27.207 -1.016 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.365 1.500 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.167 0.530 -7.209 1.00 0.00 H new ATOM 51 N PRO A 4 26.231 3.086 -6.381 1.00 0.00 N ATOM 52 CA PRO A 4 25.207 4.071 -6.005 1.00 0.00 C ATOM 53 C PRO A 4 23.814 3.449 -5.902 1.00 0.00 C ATOM 54 O PRO A 4 23.361 2.771 -6.825 1.00 0.00 O ATOM 55 CB PRO A 4 25.268 5.086 -7.147 1.00 0.00 C ATOM 56 CG PRO A 4 26.680 5.018 -7.619 1.00 0.00 C ATOM 57 CD PRO A 4 27.088 3.576 -7.479 1.00 0.00 C ATOM 0 HA PRO A 4 25.390 4.505 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.569 4.832 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.010 6.088 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.763 5.350 -8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.323 5.666 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.919 3.019 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.146 3.479 -7.237 1.00 0.00 H new ATOM 65 N PRO A 5 23.120 3.673 -4.769 1.00 0.00 N ATOM 66 CA PRO A 5 21.778 3.124 -4.535 1.00 0.00 C ATOM 67 C PRO A 5 20.828 3.336 -5.713 1.00 0.00 C ATOM 68 O PRO A 5 20.672 4.454 -6.203 1.00 0.00 O ATOM 69 CB PRO A 5 21.291 3.899 -3.312 1.00 0.00 C ATOM 70 CG PRO A 5 22.535 4.249 -2.574 1.00 0.00 C ATOM 71 CD PRO A 5 23.589 4.479 -3.623 1.00 0.00 C ATOM 0 HA PRO A 5 21.806 2.043 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.737 4.792 -3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.622 3.294 -2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.389 5.141 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.827 3.446 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.673 5.534 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.572 4.156 -3.281 1.00 0.00 H new ATOM 79 N PRO A 6 20.180 2.251 -6.178 1.00 0.00 N ATOM 80 CA PRO A 6 19.229 2.308 -7.296 1.00 0.00 C ATOM 81 C PRO A 6 17.944 3.023 -6.916 1.00 0.00 C ATOM 82 O PRO A 6 17.789 3.562 -5.820 1.00 0.00 O ATOM 83 CB PRO A 6 18.930 0.837 -7.587 1.00 0.00 C ATOM 84 CG PRO A 6 19.211 0.127 -6.310 1.00 0.00 C ATOM 85 CD PRO A 6 20.329 0.882 -5.652 1.00 0.00 C ATOM 0 HA PRO A 6 19.637 2.856 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.894 0.698 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.557 0.459 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.327 0.106 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.496 -0.909 -6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.244 0.859 -4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.301 0.459 -5.905 1.00 0.00 H new ATOM 93 N THR A 7 17.027 3.000 -7.879 1.00 0.00 N ATOM 94 CA THR A 7 15.718 3.605 -7.720 1.00 0.00 C ATOM 95 C THR A 7 14.716 2.538 -7.295 1.00 0.00 C ATOM 96 O THR A 7 14.645 1.467 -7.898 1.00 0.00 O ATOM 97 CB THR A 7 15.245 4.278 -9.022 1.00 0.00 C ATOM 98 OG1 THR A 7 14.017 4.981 -8.795 1.00 0.00 O ATOM 99 CG2 THR A 7 15.048 3.254 -10.131 1.00 0.00 C ATOM 0 H THR A 7 17.175 2.561 -8.788 1.00 0.00 H new ATOM 0 HA THR A 7 15.789 4.376 -6.953 1.00 0.00 H new ATOM 0 HB THR A 7 16.017 4.981 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.725 5.407 -9.628 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.714 3.759 -11.037 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.991 2.743 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.298 2.525 -9.824 1.00 0.00 H new ATOM 107 N LEU A 8 13.952 2.821 -6.253 1.00 0.00 N ATOM 108 CA LEU A 8 12.959 1.879 -5.768 1.00 0.00 C ATOM 109 C LEU A 8 11.552 2.375 -6.069 1.00 0.00 C ATOM 110 O LEU A 8 11.096 3.361 -5.502 1.00 0.00 O ATOM 111 CB LEU A 8 13.135 1.662 -4.266 1.00 0.00 C ATOM 112 CG LEU A 8 14.533 1.201 -3.848 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.511 2.366 -3.841 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.488 0.535 -2.481 1.00 0.00 C ATOM 0 H LEU A 8 14.001 3.694 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 8 13.102 0.929 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.904 2.593 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.408 0.922 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 8 14.881 0.471 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.497 2.012 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.570 2.798 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.168 3.125 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.491 0.213 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.114 1.244 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.827 -0.331 -2.520 1.00 0.00 H new ATOM 126 N SER A 9 10.867 1.699 -6.976 1.00 0.00 N ATOM 127 CA SER A 9 9.513 2.094 -7.329 1.00 0.00 C ATOM 128 C SER A 9 8.563 1.852 -6.159 1.00 0.00 C ATOM 129 O SER A 9 7.381 2.186 -6.227 1.00 0.00 O ATOM 130 CB SER A 9 9.032 1.336 -8.568 1.00 0.00 C ATOM 131 OG SER A 9 9.796 1.686 -9.709 1.00 0.00 O ATOM 0 H SER A 9 11.220 0.883 -7.476 1.00 0.00 H new ATOM 0 HA SER A 9 9.519 3.160 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.105 0.263 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.980 1.558 -8.749 1.00 0.00 H new ATOM 0 HG SER A 9 9.470 1.187 -10.487 1.00 0.00 H new ATOM 137 N PHE A 10 9.093 1.268 -5.087 1.00 0.00 N ATOM 138 CA PHE A 10 8.301 0.994 -3.895 1.00 0.00 C ATOM 139 C PHE A 10 8.747 1.885 -2.737 1.00 0.00 C ATOM 140 O PHE A 10 8.176 1.841 -1.647 1.00 0.00 O ATOM 141 CB PHE A 10 8.394 -0.484 -3.506 1.00 0.00 C ATOM 142 CG PHE A 10 9.736 -1.098 -3.764 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.036 -1.642 -5.001 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.697 -1.134 -2.768 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.272 -2.211 -5.241 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.933 -1.701 -3.003 1.00 0.00 C ATOM 147 CZ PHE A 10 12.221 -2.241 -4.240 1.00 0.00 C ATOM 0 H PHE A 10 10.068 0.976 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 10 7.259 1.220 -4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.156 -0.586 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.638 -1.043 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.296 -1.621 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.477 -0.714 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.495 -2.632 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.675 -1.722 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.188 -2.686 -4.424 1.00 0.00 H new ATOM 157 N ALA A 11 9.775 2.693 -2.988 1.00 0.00 N ATOM 158 CA ALA A 11 10.286 3.613 -1.976 1.00 0.00 C ATOM 159 C ALA A 11 11.007 4.790 -2.625 1.00 0.00 C ATOM 160 O ALA A 11 11.520 4.701 -3.734 1.00 0.00 O ATOM 161 CB ALA A 11 11.227 2.878 -1.036 1.00 0.00 C ATOM 0 H ALA A 11 10.268 2.729 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 11 9.442 4.002 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.604 3.571 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.690 2.066 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.063 2.469 -1.604 1.00 0.00 H new ATOM 167 N ALA A 12 11.054 5.892 -1.889 1.00 0.00 N ATOM 168 CA ALA A 12 11.756 7.073 -2.364 1.00 0.00 C ATOM 169 C ALA A 12 12.738 7.573 -1.306 1.00 0.00 C ATOM 170 O ALA A 12 12.434 7.547 -0.116 1.00 0.00 O ATOM 171 CB ALA A 12 10.768 8.168 -2.735 1.00 0.00 C ATOM 0 H ALA A 12 10.620 5.992 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 12 12.320 6.803 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.312 9.044 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.106 7.809 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.177 8.437 -1.859 1.00 0.00 H new ATOM 177 N PRO A 13 13.929 8.041 -1.720 1.00 0.00 N ATOM 178 CA PRO A 13 14.948 8.536 -0.788 1.00 0.00 C ATOM 179 C PRO A 13 14.355 9.458 0.273 1.00 0.00 C ATOM 180 O PRO A 13 13.405 10.195 0.007 1.00 0.00 O ATOM 181 CB PRO A 13 15.903 9.306 -1.697 1.00 0.00 C ATOM 182 CG PRO A 13 15.791 8.627 -3.019 1.00 0.00 C ATOM 183 CD PRO A 13 14.370 8.138 -3.125 1.00 0.00 C ATOM 0 HA PRO A 13 15.426 7.731 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.624 10.357 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.925 9.272 -1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.027 9.315 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.494 7.797 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.749 8.831 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.315 7.173 -3.630 1.00 0.00 H new ATOM 191 N MET A 14 14.919 9.410 1.480 1.00 0.00 N ATOM 192 CA MET A 14 14.426 10.246 2.570 1.00 0.00 C ATOM 193 C MET A 14 15.557 10.766 3.451 1.00 0.00 C ATOM 194 O MET A 14 15.354 11.640 4.293 1.00 0.00 O ATOM 195 CB MET A 14 13.430 9.459 3.424 1.00 0.00 C ATOM 196 CG MET A 14 12.676 10.319 4.426 1.00 0.00 C ATOM 197 SD MET A 14 11.617 11.542 3.629 1.00 0.00 S ATOM 198 CE MET A 14 11.079 12.500 5.044 1.00 0.00 C ATOM 0 H MET A 14 15.707 8.809 1.724 1.00 0.00 H new ATOM 0 HA MET A 14 13.932 11.107 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.712 8.965 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.964 8.674 3.960 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.068 9.678 5.065 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.390 10.828 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.415 13.298 4.712 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.548 11.852 5.741 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.947 12.934 5.541 1.00 0.00 H new ATOM 208 N ASP A 15 16.752 10.223 3.242 1.00 0.00 N ATOM 209 CA ASP A 15 17.924 10.629 4.005 1.00 0.00 C ATOM 210 C ASP A 15 19.197 10.378 3.200 1.00 0.00 C ATOM 211 O ASP A 15 19.527 11.151 2.301 1.00 0.00 O ATOM 212 CB ASP A 15 17.977 9.885 5.341 1.00 0.00 C ATOM 213 CG ASP A 15 19.094 10.383 6.236 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.897 11.415 6.914 1.00 0.00 O ATOM 215 OD2 ASP A 15 20.166 9.743 6.261 1.00 0.00 O ATOM 0 H ASP A 15 16.933 9.498 2.548 1.00 0.00 H new ATOM 0 HA ASP A 15 17.851 11.697 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.023 10.001 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.112 8.819 5.155 1.00 0.00 H new ATOM 220 N ILE A 16 19.900 9.292 3.530 1.00 0.00 N ATOM 221 CA ILE A 16 21.135 8.913 2.846 1.00 0.00 C ATOM 222 C ILE A 16 21.964 10.125 2.465 1.00 0.00 C ATOM 223 O ILE A 16 21.804 10.683 1.382 1.00 0.00 O ATOM 224 CB ILE A 16 20.881 8.059 1.579 1.00 0.00 C ATOM 225 CG1 ILE A 16 22.169 7.914 0.762 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.775 8.655 0.722 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.030 7.002 -0.439 1.00 0.00 C ATOM 0 H ILE A 16 19.629 8.653 4.277 1.00 0.00 H new ATOM 0 HA ILE A 16 21.688 8.307 3.564 1.00 0.00 H new ATOM 0 HB ILE A 16 20.558 7.070 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.487 8.900 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.958 7.530 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.622 8.032 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.852 8.700 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 16 20.058 9.661 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.982 6.949 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.743 6.004 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.265 7.396 -1.108 1.00 0.00 H new ATOM 239 N THR A 17 22.830 10.549 3.370 1.00 0.00 N ATOM 240 CA THR A 17 23.696 11.681 3.088 1.00 0.00 C ATOM 241 C THR A 17 24.368 11.481 1.740 1.00 0.00 C ATOM 242 O THR A 17 25.158 10.553 1.562 1.00 0.00 O ATOM 243 CB THR A 17 24.778 11.868 4.164 1.00 0.00 C ATOM 244 OG1 THR A 17 25.498 10.643 4.354 1.00 0.00 O ATOM 245 CG2 THR A 17 24.165 12.313 5.483 1.00 0.00 C ATOM 0 H THR A 17 22.952 10.133 4.294 1.00 0.00 H new ATOM 0 HA THR A 17 23.073 12.575 3.080 1.00 0.00 H new ATOM 0 HB THR A 17 25.464 12.644 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 17 25.750 10.273 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 17 24.952 12.438 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.646 13.261 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.457 11.560 5.828 1.00 0.00 H new ATOM 253 N LEU A 18 24.046 12.347 0.791 1.00 0.00 N ATOM 254 CA LEU A 18 24.600 12.246 -0.543 1.00 0.00 C ATOM 255 C LEU A 18 26.030 12.773 -0.590 1.00 0.00 C ATOM 256 O LEU A 18 26.450 13.374 -1.579 1.00 0.00 O ATOM 257 CB LEU A 18 23.729 13.020 -1.532 1.00 0.00 C ATOM 258 CG LEU A 18 22.642 12.200 -2.232 1.00 0.00 C ATOM 259 CD1 LEU A 18 23.242 10.962 -2.884 1.00 0.00 C ATOM 260 CD2 LEU A 18 21.553 11.808 -1.248 1.00 0.00 C ATOM 0 H LEU A 18 23.403 13.127 0.924 1.00 0.00 H new ATOM 0 HA LEU A 18 24.617 11.192 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 18 23.253 13.845 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 24.375 13.459 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 18 22.196 12.817 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.454 10.392 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.986 11.263 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 18 23.716 10.343 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.789 11.226 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.985 11.210 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.102 12.707 -0.828 1.00 0.00 H new ATOM 272 N THR A 19 26.774 12.533 0.480 1.00 0.00 N ATOM 273 CA THR A 19 28.154 12.987 0.569 1.00 0.00 C ATOM 274 C THR A 19 29.113 11.918 0.059 1.00 0.00 C ATOM 275 O THR A 19 30.308 12.167 -0.109 1.00 0.00 O ATOM 276 CB THR A 19 28.526 13.351 2.018 1.00 0.00 C ATOM 277 OG1 THR A 19 28.605 12.165 2.816 1.00 0.00 O ATOM 278 CG2 THR A 19 27.494 14.298 2.611 1.00 0.00 C ATOM 0 H THR A 19 26.444 12.025 1.301 1.00 0.00 H new ATOM 0 HA THR A 19 28.242 13.876 -0.055 1.00 0.00 H new ATOM 0 HB THR A 19 29.496 13.847 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 19 28.844 12.405 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 19 27.773 14.545 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 19 27.453 15.211 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.515 13.818 2.607 1.00 0.00 H new ATOM 286 N GLU A 20 28.580 10.726 -0.183 1.00 0.00 N ATOM 287 CA GLU A 20 29.379 9.612 -0.678 1.00 0.00 C ATOM 288 C GLU A 20 28.610 8.820 -1.728 1.00 0.00 C ATOM 289 O GLU A 20 27.414 8.571 -1.579 1.00 0.00 O ATOM 290 CB GLU A 20 29.778 8.694 0.478 1.00 0.00 C ATOM 291 CG GLU A 20 30.598 9.388 1.554 1.00 0.00 C ATOM 292 CD GLU A 20 30.978 8.459 2.690 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.998 7.751 2.561 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.255 8.441 3.708 1.00 0.00 O ATOM 0 H GLU A 20 27.594 10.506 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 20 30.279 10.017 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.876 8.281 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 30.350 7.854 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.504 9.798 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.030 10.229 1.952 1.00 0.00 H new ATOM 301 N THR A 21 29.301 8.429 -2.793 1.00 0.00 N ATOM 302 CA THR A 21 28.683 7.661 -3.866 1.00 0.00 C ATOM 303 C THR A 21 28.754 6.170 -3.566 1.00 0.00 C ATOM 304 O THR A 21 28.178 5.349 -4.280 1.00 0.00 O ATOM 305 CB THR A 21 29.377 7.927 -5.212 1.00 0.00 C ATOM 306 OG1 THR A 21 29.992 9.220 -5.200 1.00 0.00 O ATOM 307 CG2 THR A 21 28.382 7.846 -6.360 1.00 0.00 C ATOM 0 H THR A 21 30.290 8.632 -2.936 1.00 0.00 H new ATOM 0 HA THR A 21 27.642 7.976 -3.932 1.00 0.00 H new ATOM 0 HB THR A 21 30.140 7.163 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.433 9.380 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.896 8.038 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.936 6.852 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.599 8.591 -6.216 1.00 0.00 H new ATOM 315 N ARG A 22 29.469 5.835 -2.500 1.00 0.00 N ATOM 316 CA ARG A 22 29.638 4.449 -2.081 1.00 0.00 C ATOM 317 C ARG A 22 29.132 4.264 -0.655 1.00 0.00 C ATOM 318 O ARG A 22 29.026 5.232 0.098 1.00 0.00 O ATOM 319 CB ARG A 22 31.107 4.055 -2.164 1.00 0.00 C ATOM 320 CG ARG A 22 31.677 4.127 -3.572 1.00 0.00 C ATOM 321 CD ARG A 22 33.168 3.831 -3.587 1.00 0.00 C ATOM 322 NE ARG A 22 33.910 4.718 -2.695 1.00 0.00 N ATOM 323 CZ ARG A 22 35.234 4.697 -2.569 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.959 3.841 -3.274 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.834 5.535 -1.734 1.00 0.00 N ATOM 0 H ARG A 22 29.946 6.512 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 22 29.059 3.809 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.687 4.708 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.224 3.040 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.157 3.414 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.498 5.119 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.335 2.796 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.549 3.937 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 22 33.384 5.391 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.502 3.194 -3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.974 3.829 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.280 6.195 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.849 5.519 -1.637 1.00 0.00 H new ATOM 339 N PHE A 23 28.837 3.020 -0.275 1.00 0.00 N ATOM 340 CA PHE A 23 28.326 2.711 1.061 1.00 0.00 C ATOM 341 C PHE A 23 28.714 1.279 1.438 1.00 0.00 C ATOM 342 O PHE A 23 28.250 0.320 0.821 1.00 0.00 O ATOM 343 CB PHE A 23 26.803 2.882 1.103 1.00 0.00 C ATOM 344 CG PHE A 23 26.333 4.248 0.685 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.192 4.562 -0.656 1.00 0.00 C ATOM 346 CD2 PHE A 23 26.054 5.224 1.630 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.784 5.817 -1.051 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.640 6.484 1.240 1.00 0.00 C ATOM 349 CZ PHE A 23 25.507 6.782 -0.102 1.00 0.00 C ATOM 0 H PHE A 23 28.944 2.205 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 23 28.766 3.401 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.345 2.136 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.452 2.681 2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.405 3.812 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 23 26.161 4.998 2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.681 6.046 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.421 7.235 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 23 25.187 7.767 -0.409 1.00 0.00 H new ATOM 359 N LYS A 24 29.572 1.148 2.449 1.00 0.00 N ATOM 360 CA LYS A 24 30.063 -0.161 2.891 1.00 0.00 C ATOM 361 C LYS A 24 28.941 -1.158 3.150 1.00 0.00 C ATOM 362 O LYS A 24 27.773 -0.789 3.250 1.00 0.00 O ATOM 363 CB LYS A 24 30.896 -0.023 4.163 1.00 0.00 C ATOM 364 CG LYS A 24 31.917 1.100 4.114 1.00 0.00 C ATOM 365 CD LYS A 24 32.713 1.182 5.406 1.00 0.00 C ATOM 366 CE LYS A 24 33.682 2.354 5.394 1.00 0.00 C ATOM 367 NZ LYS A 24 34.392 2.500 6.695 1.00 0.00 N ATOM 0 H LYS A 24 29.944 1.935 2.981 1.00 0.00 H new ATOM 0 HA LYS A 24 30.675 -0.543 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.227 0.145 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.414 -0.964 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.596 0.940 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.409 2.048 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.030 1.283 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.266 0.254 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.411 2.214 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.139 3.272 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.043 3.310 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.698 2.659 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.931 1.634 6.895 1.00 0.00 H new ATOM 381 N THR A 25 29.316 -2.429 3.274 1.00 0.00 N ATOM 382 CA THR A 25 28.359 -3.495 3.511 1.00 0.00 C ATOM 383 C THR A 25 27.722 -3.396 4.892 1.00 0.00 C ATOM 384 O THR A 25 26.893 -4.227 5.262 1.00 0.00 O ATOM 385 CB THR A 25 29.019 -4.870 3.385 1.00 0.00 C ATOM 386 OG1 THR A 25 30.312 -4.853 4.002 1.00 0.00 O ATOM 387 CG2 THR A 25 29.143 -5.303 1.925 1.00 0.00 C ATOM 0 H THR A 25 30.285 -2.742 3.213 1.00 0.00 H new ATOM 0 HA THR A 25 27.586 -3.381 2.751 1.00 0.00 H new ATOM 0 HB THR A 25 28.382 -5.593 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.726 -5.737 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.616 -6.284 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.151 -5.355 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.750 -4.579 1.381 1.00 0.00 H new ATOM 395 N GLY A 26 28.107 -2.379 5.646 1.00 0.00 N ATOM 396 CA GLY A 26 27.557 -2.197 6.975 1.00 0.00 C ATOM 397 C GLY A 26 26.564 -1.059 7.016 1.00 0.00 C ATOM 398 O GLY A 26 25.824 -0.899 7.987 1.00 0.00 O ATOM 0 H GLY A 26 28.790 -1.676 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.070 -3.117 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.365 -2.001 7.680 1.00 0.00 H new ATOM 402 N THR A 27 26.554 -0.270 5.950 1.00 0.00 N ATOM 403 CA THR A 27 25.660 0.881 5.837 1.00 0.00 C ATOM 404 C THR A 27 24.195 0.453 5.795 1.00 0.00 C ATOM 405 O THR A 27 23.888 -0.737 5.750 1.00 0.00 O ATOM 406 CB THR A 27 25.968 1.692 4.569 1.00 0.00 C ATOM 407 OG1 THR A 27 25.387 2.998 4.665 1.00 0.00 O ATOM 408 CG2 THR A 27 25.425 0.982 3.341 1.00 0.00 C ATOM 0 H THR A 27 27.161 -0.406 5.142 1.00 0.00 H new ATOM 0 HA THR A 27 25.828 1.496 6.721 1.00 0.00 H new ATOM 0 HB THR A 27 27.050 1.786 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.158 3.321 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.651 1.569 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.888 -0.001 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.345 0.867 3.435 1.00 0.00 H new ATOM 416 N THR A 28 23.294 1.440 5.797 1.00 0.00 N ATOM 417 CA THR A 28 21.858 1.170 5.752 1.00 0.00 C ATOM 418 C THR A 28 21.055 2.438 5.447 1.00 0.00 C ATOM 419 O THR A 28 21.179 3.443 6.146 1.00 0.00 O ATOM 420 CB THR A 28 21.358 0.563 7.080 1.00 0.00 C ATOM 421 OG1 THR A 28 21.941 -0.728 7.286 1.00 0.00 O ATOM 422 CG2 THR A 28 19.842 0.444 7.090 1.00 0.00 C ATOM 0 H THR A 28 23.535 2.431 5.829 1.00 0.00 H new ATOM 0 HA THR A 28 21.702 0.451 4.948 1.00 0.00 H new ATOM 0 HB THR A 28 21.660 1.230 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.416 -1.006 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.517 0.013 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.399 1.432 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.522 -0.199 6.270 1.00 0.00 H new ATOM 430 N LEU A 29 20.231 2.378 4.399 1.00 0.00 N ATOM 431 CA LEU A 29 19.437 3.535 3.980 1.00 0.00 C ATOM 432 C LEU A 29 18.107 3.616 4.728 1.00 0.00 C ATOM 433 O LEU A 29 17.916 2.969 5.757 1.00 0.00 O ATOM 434 CB LEU A 29 19.161 3.489 2.473 1.00 0.00 C ATOM 435 CG LEU A 29 20.391 3.559 1.563 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.320 4.686 1.987 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.121 2.231 1.560 1.00 0.00 C ATOM 0 H LEU A 29 20.096 1.544 3.827 1.00 0.00 H new ATOM 0 HA LEU A 29 20.024 4.421 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.621 2.569 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.498 4.317 2.220 1.00 0.00 H new ATOM 0 HG LEU A 29 20.054 3.770 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.185 4.713 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.789 5.636 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.653 4.517 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.993 2.296 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.442 1.990 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.454 1.450 1.196 1.00 0.00 H new ATOM 449 N LYS A 30 17.190 4.423 4.189 1.00 0.00 N ATOM 450 CA LYS A 30 15.869 4.604 4.784 1.00 0.00 C ATOM 451 C LYS A 30 14.771 4.438 3.733 1.00 0.00 C ATOM 452 O LYS A 30 14.144 3.381 3.642 1.00 0.00 O ATOM 453 CB LYS A 30 15.766 5.981 5.442 1.00 0.00 C ATOM 454 CG LYS A 30 14.426 6.238 6.111 1.00 0.00 C ATOM 455 CD LYS A 30 14.445 7.525 6.921 1.00 0.00 C ATOM 456 CE LYS A 30 15.375 7.415 8.118 1.00 0.00 C ATOM 457 NZ LYS A 30 15.460 8.693 8.877 1.00 0.00 N ATOM 0 H LYS A 30 17.342 4.963 3.337 1.00 0.00 H new ATOM 0 HA LYS A 30 15.732 3.838 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.558 6.080 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.939 6.749 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.645 6.295 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.177 5.400 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.764 8.351 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.436 7.756 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.023 6.623 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.370 7.128 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.104 8.575 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.820 9.444 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.515 8.955 9.223 1.00 0.00 H new ATOM 471 N TYR A 31 14.543 5.491 2.948 1.00 0.00 N ATOM 472 CA TYR A 31 13.530 5.470 1.892 1.00 0.00 C ATOM 473 C TYR A 31 12.111 5.385 2.462 1.00 0.00 C ATOM 474 O TYR A 31 11.866 4.699 3.455 1.00 0.00 O ATOM 475 CB TYR A 31 13.795 4.308 0.931 1.00 0.00 C ATOM 476 CG TYR A 31 15.007 4.519 0.054 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.281 4.218 0.516 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.878 5.025 -1.233 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.393 4.413 -0.280 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.986 5.222 -2.035 1.00 0.00 C ATOM 481 CZ TYR A 31 17.241 4.915 -1.554 1.00 0.00 C ATOM 482 OH TYR A 31 18.346 5.111 -2.348 1.00 0.00 O ATOM 0 H TYR A 31 15.049 6.373 3.024 1.00 0.00 H new ATOM 0 HA TYR A 31 13.602 6.410 1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.928 3.393 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.919 4.162 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.405 3.825 1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.897 5.268 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.377 4.173 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.869 5.615 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 31 18.066 5.469 -3.216 1.00 0.00 H new ATOM 492 N THR A 32 11.183 6.094 1.818 1.00 0.00 N ATOM 493 CA THR A 32 9.783 6.126 2.239 1.00 0.00 C ATOM 494 C THR A 32 8.923 5.229 1.353 1.00 0.00 C ATOM 495 O THR A 32 9.434 4.322 0.703 1.00 0.00 O ATOM 496 CB THR A 32 9.226 7.565 2.185 1.00 0.00 C ATOM 497 OG1 THR A 32 8.528 7.778 0.952 1.00 0.00 O ATOM 498 CG2 THR A 32 10.351 8.578 2.301 1.00 0.00 C ATOM 0 H THR A 32 11.380 6.660 0.993 1.00 0.00 H new ATOM 0 HA THR A 32 9.745 5.760 3.265 1.00 0.00 H new ATOM 0 HB THR A 32 8.540 7.695 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.177 8.693 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.938 9.586 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.872 8.436 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.052 8.440 1.477 1.00 0.00 H new ATOM 506 N CYS A 33 7.614 5.481 1.338 1.00 0.00 N ATOM 507 CA CYS A 33 6.692 4.690 0.526 1.00 0.00 C ATOM 508 C CYS A 33 5.463 5.512 0.127 1.00 0.00 C ATOM 509 O CYS A 33 4.650 5.914 0.960 1.00 0.00 O ATOM 510 CB CYS A 33 6.250 3.441 1.298 1.00 0.00 C ATOM 511 SG CYS A 33 7.622 2.446 1.972 1.00 0.00 S ATOM 0 H CYS A 33 7.170 6.224 1.877 1.00 0.00 H new ATOM 0 HA CYS A 33 7.215 4.390 -0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.602 3.747 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.652 2.813 0.637 1.00 0.00 H new ATOM 516 N LEU A 34 5.382 5.750 -1.187 1.00 0.00 N ATOM 517 CA LEU A 34 4.324 6.551 -1.812 1.00 0.00 C ATOM 518 C LEU A 34 2.928 6.202 -1.289 1.00 0.00 C ATOM 519 O LEU A 34 2.755 5.243 -0.544 1.00 0.00 O ATOM 520 CB LEU A 34 4.381 6.360 -3.332 1.00 0.00 C ATOM 521 CG LEU A 34 5.766 6.549 -3.959 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.738 6.174 -5.433 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.243 7.983 -3.782 1.00 0.00 C ATOM 0 H LEU A 34 6.060 5.386 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 34 4.502 7.594 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.025 5.358 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.690 7.063 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 34 6.468 5.889 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.730 6.314 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.441 5.130 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.023 6.809 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.228 8.097 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.541 8.662 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.302 8.218 -2.719 1.00 0.00 H new ATOM 535 N PRO A 35 1.907 7.004 -1.658 1.00 0.00 N ATOM 536 CA PRO A 35 0.527 6.763 -1.230 1.00 0.00 C ATOM 537 C PRO A 35 -0.115 5.578 -1.948 1.00 0.00 C ATOM 538 O PRO A 35 -0.473 5.667 -3.123 1.00 0.00 O ATOM 539 CB PRO A 35 -0.193 8.061 -1.599 1.00 0.00 C ATOM 540 CG PRO A 35 0.588 8.612 -2.740 1.00 0.00 C ATOM 541 CD PRO A 35 2.019 8.221 -2.490 1.00 0.00 C ATOM 0 HA PRO A 35 0.473 6.513 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.229 7.873 -1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.213 8.756 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.233 8.207 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.484 9.696 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.549 8.022 -3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.566 9.010 -1.974 1.00 0.00 H new ATOM 549 N GLY A 36 -0.248 4.468 -1.231 1.00 0.00 N ATOM 550 CA GLY A 36 -0.867 3.291 -1.819 1.00 0.00 C ATOM 551 C GLY A 36 -0.357 1.990 -1.231 1.00 0.00 C ATOM 552 O GLY A 36 -0.938 0.930 -1.463 1.00 0.00 O ATOM 0 H GLY A 36 0.057 4.360 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.946 3.347 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.686 3.292 -2.894 1.00 0.00 H new ATOM 556 N TYR A 37 0.724 2.066 -0.464 1.00 0.00 N ATOM 557 CA TYR A 37 1.290 0.879 0.165 1.00 0.00 C ATOM 558 C TYR A 37 0.600 0.632 1.495 1.00 0.00 C ATOM 559 O TYR A 37 0.158 1.575 2.153 1.00 0.00 O ATOM 560 CB TYR A 37 2.794 1.041 0.424 1.00 0.00 C ATOM 561 CG TYR A 37 3.618 1.459 -0.773 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.469 2.716 -1.337 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.567 0.606 -1.321 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.234 3.113 -2.414 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.341 0.996 -2.397 1.00 0.00 C ATOM 566 CZ TYR A 37 5.171 2.253 -2.939 1.00 0.00 C ATOM 567 OH TYR A 37 5.933 2.650 -4.013 1.00 0.00 O ATOM 0 H TYR A 37 1.224 2.932 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 37 1.138 0.040 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.932 1.779 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.184 0.095 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.740 3.398 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.702 -0.379 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.098 4.095 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.075 0.321 -2.811 1.00 0.00 H new ATOM 0 HH TYR A 37 6.057 3.622 -3.985 1.00 0.00 H new ATOM 577 N VAL A 38 0.504 -0.626 1.898 1.00 0.00 N ATOM 578 CA VAL A 38 -0.090 -1.019 3.161 1.00 0.00 C ATOM 579 C VAL A 38 0.992 -1.695 3.981 1.00 0.00 C ATOM 580 O VAL A 38 2.176 -1.415 3.797 1.00 0.00 O ATOM 581 CB VAL A 38 -1.277 -1.976 2.945 1.00 0.00 C ATOM 582 CG1 VAL A 38 -2.370 -1.288 2.141 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.820 -3.243 2.249 1.00 0.00 C ATOM 0 H VAL A 38 0.843 -1.413 1.345 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.478 -0.142 3.679 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.684 -2.249 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.203 -1.976 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.717 -0.406 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.974 -0.988 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.672 -3.907 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.389 -2.991 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.070 -3.744 2.861 1.00 0.00 H new ATOM 593 N ARG A 39 0.600 -2.578 4.884 1.00 0.00 N ATOM 594 CA ARG A 39 1.584 -3.256 5.715 1.00 0.00 C ATOM 595 C ARG A 39 1.382 -4.765 5.776 1.00 0.00 C ATOM 596 O ARG A 39 0.258 -5.266 5.821 1.00 0.00 O ATOM 597 CB ARG A 39 1.572 -2.679 7.130 1.00 0.00 C ATOM 598 CG ARG A 39 1.827 -1.182 7.181 1.00 0.00 C ATOM 599 CD ARG A 39 1.711 -0.650 8.599 1.00 0.00 C ATOM 600 NE ARG A 39 0.389 -0.901 9.169 1.00 0.00 N ATOM 601 CZ ARG A 39 0.076 -0.669 10.439 1.00 0.00 C ATOM 602 NH1 ARG A 39 0.985 -0.178 11.271 1.00 0.00 N ATOM 603 NH2 ARG A 39 -1.147 -0.927 10.879 1.00 0.00 N ATOM 0 H ARG A 39 -0.370 -2.839 5.060 1.00 0.00 H new ATOM 0 HA ARG A 39 2.553 -3.082 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.607 -2.890 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.329 -3.188 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.821 -0.967 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.113 -0.667 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.471 -1.117 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.910 0.422 8.602 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.335 -1.276 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.927 0.023 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.742 -0.001 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.849 -1.304 10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.386 -0.749 11.854 1.00 0.00 H new ATOM 617 N SER A 40 2.509 -5.469 5.775 1.00 0.00 N ATOM 618 CA SER A 40 2.536 -6.923 5.858 1.00 0.00 C ATOM 619 C SER A 40 3.888 -7.368 6.408 1.00 0.00 C ATOM 620 O SER A 40 4.248 -8.544 6.346 1.00 0.00 O ATOM 621 CB SER A 40 2.291 -7.548 4.482 1.00 0.00 C ATOM 622 OG SER A 40 2.252 -8.963 4.563 1.00 0.00 O ATOM 0 H SER A 40 3.434 -5.043 5.716 1.00 0.00 H new ATOM 0 HA SER A 40 1.742 -7.258 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.351 -7.178 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.079 -7.242 3.795 1.00 0.00 H new ATOM 0 HG SER A 40 2.998 -9.280 5.114 1.00 0.00 H new ATOM 628 N HIS A 41 4.624 -6.399 6.954 1.00 0.00 N ATOM 629 CA HIS A 41 5.950 -6.634 7.524 1.00 0.00 C ATOM 630 C HIS A 41 6.912 -7.161 6.469 1.00 0.00 C ATOM 631 O HIS A 41 6.816 -8.310 6.036 1.00 0.00 O ATOM 632 CB HIS A 41 5.890 -7.615 8.692 1.00 0.00 C ATOM 633 CG HIS A 41 4.661 -7.483 9.539 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.526 -6.525 10.523 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.509 -8.196 9.550 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.345 -6.654 11.101 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.710 -7.660 10.529 1.00 0.00 N ATOM 0 H HIS A 41 4.317 -5.428 7.013 1.00 0.00 H new ATOM 0 HA HIS A 41 6.314 -5.675 7.892 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.942 -8.631 8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.769 -7.469 9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.265 -9.030 8.909 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.964 -6.041 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.776 -7.987 10.775 1.00 0.00 H new ATOM 646 N SER A 42 7.845 -6.311 6.070 1.00 0.00 N ATOM 647 CA SER A 42 8.840 -6.666 5.068 1.00 0.00 C ATOM 648 C SER A 42 9.983 -5.666 5.098 1.00 0.00 C ATOM 649 O SER A 42 10.954 -5.784 4.352 1.00 0.00 O ATOM 650 CB SER A 42 8.208 -6.683 3.681 1.00 0.00 C ATOM 651 OG SER A 42 7.241 -7.712 3.568 1.00 0.00 O ATOM 0 H SER A 42 7.935 -5.360 6.429 1.00 0.00 H new ATOM 0 HA SER A 42 9.226 -7.660 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.741 -5.719 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.983 -6.825 2.928 1.00 0.00 H new ATOM 0 HG SER A 42 7.271 -8.279 4.367 1.00 0.00 H new ATOM 657 N THR A 43 9.848 -4.677 5.970 1.00 0.00 N ATOM 658 CA THR A 43 10.862 -3.633 6.109 1.00 0.00 C ATOM 659 C THR A 43 12.235 -4.239 6.383 1.00 0.00 C ATOM 660 O THR A 43 12.373 -5.124 7.228 1.00 0.00 O ATOM 661 CB THR A 43 10.512 -2.647 7.239 1.00 0.00 C ATOM 662 OG1 THR A 43 9.176 -2.158 7.068 1.00 0.00 O ATOM 663 CG2 THR A 43 11.484 -1.477 7.257 1.00 0.00 C ATOM 0 H THR A 43 9.047 -4.573 6.593 1.00 0.00 H new ATOM 0 HA THR A 43 10.886 -3.089 5.165 1.00 0.00 H new ATOM 0 HB THR A 43 10.587 -3.177 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.961 -1.533 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.217 -0.794 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.497 -1.848 7.416 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.436 -0.950 6.304 1.00 0.00 H new ATOM 671 N GLN A 44 13.249 -3.758 5.667 1.00 0.00 N ATOM 672 CA GLN A 44 14.605 -4.266 5.838 1.00 0.00 C ATOM 673 C GLN A 44 15.649 -3.246 5.385 1.00 0.00 C ATOM 674 O GLN A 44 16.842 -3.440 5.612 1.00 0.00 O ATOM 675 CB GLN A 44 14.781 -5.572 5.059 1.00 0.00 C ATOM 676 CG GLN A 44 16.107 -6.270 5.322 1.00 0.00 C ATOM 677 CD GLN A 44 16.215 -6.812 6.736 1.00 0.00 C ATOM 678 OE1 GLN A 44 15.085 -7.210 7.309 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 17.306 -6.878 7.303 1.00 0.00 N flip ATOM 0 H GLN A 44 13.157 -3.022 4.967 1.00 0.00 H new ATOM 0 HA GLN A 44 14.757 -4.453 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.967 -6.250 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.697 -5.362 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.228 -7.089 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.923 -5.570 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.149 -6.561 6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.366 -7.250 8.251 1.00 0.00 H new ATOM 688 N THR A 45 15.199 -2.171 4.731 1.00 0.00 N ATOM 689 CA THR A 45 16.097 -1.127 4.251 1.00 0.00 C ATOM 690 C THR A 45 17.097 -1.696 3.255 1.00 0.00 C ATOM 691 O THR A 45 17.111 -2.897 2.996 1.00 0.00 O ATOM 692 CB THR A 45 16.852 -0.429 5.402 1.00 0.00 C ATOM 693 OG1 THR A 45 17.799 -1.324 5.993 1.00 0.00 O ATOM 694 CG2 THR A 45 15.880 0.062 6.467 1.00 0.00 C ATOM 0 H THR A 45 14.214 -2.005 4.523 1.00 0.00 H new ATOM 0 HA THR A 45 15.475 -0.380 3.758 1.00 0.00 H new ATOM 0 HB THR A 45 17.380 0.429 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.704 -2.213 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.435 0.551 7.268 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.182 0.772 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.327 -0.785 6.873 1.00 0.00 H new ATOM 702 N LEU A 46 17.940 -0.834 2.709 1.00 0.00 N ATOM 703 CA LEU A 46 18.925 -1.258 1.722 1.00 0.00 C ATOM 704 C LEU A 46 20.299 -1.408 2.365 1.00 0.00 C ATOM 705 O LEU A 46 20.848 -0.454 2.917 1.00 0.00 O ATOM 706 CB LEU A 46 18.975 -0.257 0.563 1.00 0.00 C ATOM 707 CG LEU A 46 17.850 -0.394 -0.473 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.512 -0.660 0.199 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.762 0.854 -1.333 1.00 0.00 C ATOM 0 H LEU A 46 17.964 0.161 2.931 1.00 0.00 H new ATOM 0 HA LEU A 46 18.628 -2.230 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.946 0.752 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.932 -0.366 0.052 1.00 0.00 H new ATOM 0 HG LEU A 46 18.087 -1.246 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.735 -0.752 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.570 -1.585 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.270 0.166 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.959 0.738 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.557 1.718 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.707 1.003 -1.855 1.00 0.00 H new ATOM 721 N THR A 47 20.849 -2.618 2.289 1.00 0.00 N ATOM 722 CA THR A 47 22.163 -2.902 2.849 1.00 0.00 C ATOM 723 C THR A 47 23.141 -3.258 1.743 1.00 0.00 C ATOM 724 O THR A 47 22.768 -3.935 0.785 1.00 0.00 O ATOM 725 CB THR A 47 22.113 -4.077 3.842 1.00 0.00 C ATOM 726 OG1 THR A 47 21.068 -3.868 4.800 1.00 0.00 O ATOM 727 CG2 THR A 47 23.446 -4.226 4.560 1.00 0.00 C ATOM 0 H THR A 47 20.401 -3.418 1.843 1.00 0.00 H new ATOM 0 HA THR A 47 22.489 -2.003 3.373 1.00 0.00 H new ATOM 0 HB THR A 47 21.911 -4.991 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.043 -4.621 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.392 -5.061 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.234 -4.413 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.669 -3.310 5.107 1.00 0.00 H new ATOM 735 N CYS A 48 24.390 -2.811 1.857 1.00 0.00 N ATOM 736 CA CYS A 48 25.361 -3.135 0.829 1.00 0.00 C ATOM 737 C CYS A 48 25.626 -4.630 0.889 1.00 0.00 C ATOM 738 O CYS A 48 26.237 -5.125 1.835 1.00 0.00 O ATOM 739 CB CYS A 48 26.647 -2.326 0.996 1.00 0.00 C ATOM 740 SG CYS A 48 27.996 -2.826 -0.123 1.00 0.00 S ATOM 0 H CYS A 48 24.741 -2.242 2.627 1.00 0.00 H new ATOM 0 HA CYS A 48 24.965 -2.871 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.424 -1.272 0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.991 -2.420 2.026 1.00 0.00 H new ATOM 745 N ASN A 49 25.148 -5.344 -0.114 1.00 0.00 N ATOM 746 CA ASN A 49 25.309 -6.787 -0.169 1.00 0.00 C ATOM 747 C ASN A 49 26.755 -7.172 -0.424 1.00 0.00 C ATOM 748 O ASN A 49 27.644 -6.325 -0.499 1.00 0.00 O ATOM 749 CB ASN A 49 24.453 -7.355 -1.292 1.00 0.00 C ATOM 750 CG ASN A 49 24.128 -8.822 -1.119 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.159 -9.357 -0.011 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.797 -9.472 -2.229 1.00 0.00 N ATOM 0 H ASN A 49 24.643 -4.946 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 49 24.999 -7.193 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 49 23.523 -6.789 -1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.972 -7.215 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.553 -10.462 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.787 -8.982 -3.123 1.00 0.00 H new ATOM 759 N SER A 50 26.965 -8.469 -0.559 1.00 0.00 N ATOM 760 CA SER A 50 28.272 -9.023 -0.841 1.00 0.00 C ATOM 761 C SER A 50 28.208 -9.717 -2.198 1.00 0.00 C ATOM 762 O SER A 50 28.802 -10.772 -2.427 1.00 0.00 O ATOM 763 CB SER A 50 28.644 -10.018 0.246 1.00 0.00 C ATOM 764 OG SER A 50 29.991 -10.441 0.122 1.00 0.00 O ATOM 0 H SER A 50 26.228 -9.169 -0.475 1.00 0.00 H new ATOM 0 HA SER A 50 29.028 -8.238 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 50 28.493 -9.563 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 50 27.983 -10.883 0.191 1.00 0.00 H new ATOM 0 HG SER A 50 30.133 -10.824 -0.769 1.00 0.00 H new ATOM 770 N ASP A 51 27.469 -9.063 -3.084 1.00 0.00 N ATOM 771 CA ASP A 51 27.241 -9.509 -4.452 1.00 0.00 C ATOM 772 C ASP A 51 27.720 -8.432 -5.411 1.00 0.00 C ATOM 773 O ASP A 51 28.228 -8.712 -6.498 1.00 0.00 O ATOM 774 CB ASP A 51 25.745 -9.746 -4.673 1.00 0.00 C ATOM 775 CG ASP A 51 25.466 -10.550 -5.928 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.363 -9.941 -7.014 1.00 0.00 O ATOM 777 OD2 ASP A 51 25.351 -11.789 -5.825 1.00 0.00 O ATOM 0 H ASP A 51 26.999 -8.184 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 51 27.786 -10.436 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.332 -10.269 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.234 -8.786 -4.739 1.00 0.00 H new ATOM 782 N GLY A 52 27.540 -7.192 -4.975 1.00 0.00 N ATOM 783 CA GLY A 52 27.931 -6.045 -5.767 1.00 0.00 C ATOM 784 C GLY A 52 26.755 -5.105 -5.939 1.00 0.00 C ATOM 785 O GLY A 52 26.772 -4.179 -6.750 1.00 0.00 O ATOM 0 H GLY A 52 27.124 -6.960 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.756 -5.523 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.290 -6.372 -6.743 1.00 0.00 H new ATOM 789 N GLU A 53 25.730 -5.385 -5.136 1.00 0.00 N ATOM 790 CA GLU A 53 24.492 -4.613 -5.177 1.00 0.00 C ATOM 791 C GLU A 53 23.877 -4.390 -3.801 1.00 0.00 C ATOM 792 O GLU A 53 24.469 -4.703 -2.769 1.00 0.00 O ATOM 793 CB GLU A 53 23.475 -5.361 -6.037 1.00 0.00 C ATOM 794 CG GLU A 53 22.974 -6.645 -5.393 1.00 0.00 C ATOM 795 CD GLU A 53 22.407 -7.624 -6.403 1.00 0.00 C ATOM 796 OE1 GLU A 53 23.202 -8.338 -7.048 1.00 0.00 O ATOM 797 OE2 GLU A 53 21.168 -7.675 -6.546 1.00 0.00 O ATOM 0 H GLU A 53 25.733 -6.140 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 53 24.740 -3.635 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.626 -4.707 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.927 -5.598 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.794 -7.120 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.207 -6.402 -4.658 1.00 0.00 H new ATOM 804 N TRP A 54 22.669 -3.830 -3.825 1.00 0.00 N ATOM 805 CA TRP A 54 21.894 -3.560 -2.634 1.00 0.00 C ATOM 806 C TRP A 54 20.807 -4.604 -2.464 1.00 0.00 C ATOM 807 O TRP A 54 19.932 -4.752 -3.318 1.00 0.00 O ATOM 808 CB TRP A 54 21.228 -2.203 -2.741 1.00 0.00 C ATOM 809 CG TRP A 54 22.184 -1.055 -2.689 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.663 -0.330 -3.741 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.774 -0.504 -1.519 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.511 0.650 -3.286 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.598 0.560 -1.923 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.681 -0.811 -0.167 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.323 1.322 -1.014 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.402 -0.058 0.737 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.213 0.999 0.309 1.00 0.00 C ATOM 0 H TRP A 54 22.202 -3.550 -4.688 1.00 0.00 H new ATOM 0 HA TRP A 54 22.571 -3.582 -1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.669 -2.156 -3.676 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.505 -2.099 -1.932 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.413 -0.501 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.996 1.333 -3.868 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.056 -1.624 0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.950 2.139 -1.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.339 -0.288 1.790 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.764 1.572 1.040 1.00 0.00 H new ATOM 828 N VAL A 55 20.866 -5.325 -1.362 1.00 0.00 N ATOM 829 CA VAL A 55 19.884 -6.352 -1.070 1.00 0.00 C ATOM 830 C VAL A 55 18.858 -5.838 -0.081 1.00 0.00 C ATOM 831 O VAL A 55 19.097 -4.850 0.614 1.00 0.00 O ATOM 832 CB VAL A 55 20.516 -7.603 -0.475 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.098 -8.484 -1.559 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.565 -7.231 0.549 1.00 0.00 C ATOM 0 H VAL A 55 21.588 -5.218 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 55 19.416 -6.607 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 55 19.737 -8.173 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.543 -9.371 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.308 -8.785 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 55 21.863 -7.932 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.006 -8.137 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 55 22.343 -6.634 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.103 -6.653 1.350 1.00 0.00 H new ATOM 844 N TYR A 56 17.726 -6.536 -0.007 1.00 0.00 N ATOM 845 CA TYR A 56 16.666 -6.176 0.934 1.00 0.00 C ATOM 846 C TYR A 56 15.355 -6.900 0.634 1.00 0.00 C ATOM 847 O TYR A 56 15.228 -7.566 -0.393 1.00 0.00 O ATOM 848 CB TYR A 56 16.412 -4.666 0.911 1.00 0.00 C ATOM 849 CG TYR A 56 16.106 -4.127 -0.472 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.812 -4.139 -0.971 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.114 -3.612 -1.279 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.529 -3.652 -2.233 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.839 -3.124 -2.542 1.00 0.00 C ATOM 854 CZ TYR A 56 15.546 -3.147 -3.014 1.00 0.00 C ATOM 855 OH TYR A 56 15.269 -2.663 -4.272 1.00 0.00 O ATOM 0 H TYR A 56 17.519 -7.351 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 56 17.012 -6.483 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.579 -4.435 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.288 -4.152 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.012 -4.536 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.130 -3.593 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.515 -3.667 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.634 -2.727 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 56 16.096 -2.343 -4.689 1.00 0.00 H new ATOM 865 N ASN A 57 14.386 -6.767 1.533 1.00 0.00 N ATOM 866 CA ASN A 57 13.085 -7.402 1.350 1.00 0.00 C ATOM 867 C ASN A 57 12.169 -6.507 0.515 1.00 0.00 C ATOM 868 O ASN A 57 12.567 -6.023 -0.543 1.00 0.00 O ATOM 869 CB ASN A 57 12.450 -7.707 2.709 1.00 0.00 C ATOM 870 CG ASN A 57 13.207 -8.774 3.475 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.136 -8.475 4.224 1.00 0.00 O ATOM 872 ND2 ASN A 57 12.809 -10.028 3.292 1.00 0.00 N ATOM 0 H ASN A 57 14.476 -6.227 2.394 1.00 0.00 H new ATOM 0 HA ASN A 57 13.225 -8.342 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.414 -6.794 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.420 -8.032 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.279 -10.789 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.034 -10.230 2.661 1.00 0.00 H new ATOM 879 N THR A 58 10.940 -6.293 0.983 1.00 0.00 N ATOM 880 CA THR A 58 9.994 -5.447 0.264 1.00 0.00 C ATOM 881 C THR A 58 9.155 -4.616 1.226 1.00 0.00 C ATOM 882 O THR A 58 7.963 -4.866 1.403 1.00 0.00 O ATOM 883 CB THR A 58 9.057 -6.279 -0.634 1.00 0.00 C ATOM 884 OG1 THR A 58 9.825 -7.171 -1.451 1.00 0.00 O ATOM 885 CG2 THR A 58 8.214 -5.373 -1.520 1.00 0.00 C ATOM 0 H THR A 58 10.580 -6.691 1.850 1.00 0.00 H new ATOM 0 HA THR A 58 10.585 -4.781 -0.365 1.00 0.00 H new ATOM 0 HB THR A 58 8.392 -6.857 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.222 -7.697 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.560 -5.981 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.610 -4.714 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.867 -4.774 -2.154 1.00 0.00 H new ATOM 893 N PHE A 59 9.787 -3.626 1.849 1.00 0.00 N ATOM 894 CA PHE A 59 9.094 -2.756 2.789 1.00 0.00 C ATOM 895 C PHE A 59 7.890 -2.098 2.125 1.00 0.00 C ATOM 896 O PHE A 59 7.953 -1.690 0.965 1.00 0.00 O ATOM 897 CB PHE A 59 10.043 -1.688 3.340 1.00 0.00 C ATOM 898 CG PHE A 59 11.111 -1.265 2.372 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.785 -0.588 1.209 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.444 -1.546 2.627 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.767 -0.201 0.317 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.430 -1.161 1.741 1.00 0.00 C ATOM 903 CZ PHE A 59 13.092 -0.487 0.584 1.00 0.00 C ATOM 0 H PHE A 59 10.775 -3.408 1.719 1.00 0.00 H new ATOM 0 HA PHE A 59 8.742 -3.368 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.461 -0.813 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.517 -2.069 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.751 -0.360 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.715 -2.073 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.499 0.324 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.465 -1.387 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.862 -0.184 -0.110 1.00 0.00 H new ATOM 913 N CYS A 60 6.796 -2.008 2.871 1.00 0.00 N ATOM 914 CA CYS A 60 5.562 -1.414 2.365 1.00 0.00 C ATOM 915 C CYS A 60 5.026 -2.222 1.191 1.00 0.00 C ATOM 916 O CYS A 60 5.471 -2.052 0.056 1.00 0.00 O ATOM 917 CB CYS A 60 5.787 0.034 1.928 1.00 0.00 C ATOM 918 SG CYS A 60 6.695 1.058 3.128 1.00 0.00 S ATOM 0 H CYS A 60 6.737 -2.340 3.834 1.00 0.00 H new ATOM 0 HA CYS A 60 4.832 -1.425 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.333 0.034 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.819 0.496 1.736 1.00 0.00 H new ATOM 923 N ILE A 61 4.077 -3.104 1.470 1.00 0.00 N ATOM 924 CA ILE A 61 3.490 -3.937 0.433 1.00 0.00 C ATOM 925 C ILE A 61 2.358 -3.211 -0.285 1.00 0.00 C ATOM 926 O ILE A 61 1.219 -3.194 0.176 1.00 0.00 O ATOM 927 CB ILE A 61 2.977 -5.271 1.009 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.190 -6.051 -0.046 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.125 -5.026 2.245 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.068 -7.526 0.265 1.00 0.00 C ATOM 0 H ILE A 61 3.698 -3.260 2.404 1.00 0.00 H new ATOM 0 HA ILE A 61 4.278 -4.152 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 61 3.839 -5.872 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.192 -5.622 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.676 -5.930 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.771 -5.979 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.722 -4.520 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.270 -4.403 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.499 -8.018 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.062 -7.969 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.555 -7.656 1.218 1.00 0.00 H new ATOM 942 N TYR A 62 2.689 -2.601 -1.416 1.00 0.00 N ATOM 943 CA TYR A 62 1.710 -1.871 -2.209 1.00 0.00 C ATOM 944 C TYR A 62 0.642 -2.812 -2.747 1.00 0.00 C ATOM 945 O TYR A 62 0.913 -3.643 -3.613 1.00 0.00 O ATOM 946 CB TYR A 62 2.402 -1.157 -3.370 1.00 0.00 C ATOM 947 CG TYR A 62 1.662 0.062 -3.876 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.284 0.056 -4.049 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.352 1.226 -4.162 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.379 1.182 -4.498 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.703 2.357 -4.606 1.00 0.00 C ATOM 952 CZ TYR A 62 0.335 2.331 -4.775 1.00 0.00 C ATOM 953 OH TYR A 62 -0.321 3.458 -5.212 1.00 0.00 O ATOM 0 H TYR A 62 3.632 -2.598 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 62 1.231 -1.133 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.401 -0.857 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.526 -1.861 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.277 -0.841 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.424 1.249 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.451 1.164 -4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.261 3.257 -4.820 1.00 0.00 H new ATOM 0 HH TYR A 62 0.081 4.251 -4.799 1.00 0.00 H new ATOM 963 N LYS A 63 -0.575 -2.676 -2.229 1.00 0.00 N ATOM 964 CA LYS A 63 -1.683 -3.514 -2.664 1.00 0.00 C ATOM 965 C LYS A 63 -3.025 -2.949 -2.209 1.00 0.00 C ATOM 966 O LYS A 63 -3.475 -3.227 -1.099 1.00 0.00 O ATOM 967 CB LYS A 63 -1.511 -4.925 -2.097 1.00 0.00 C ATOM 968 CG LYS A 63 -1.280 -4.944 -0.591 1.00 0.00 C ATOM 969 CD LYS A 63 -1.515 -6.323 -0.003 1.00 0.00 C ATOM 970 CE LYS A 63 -1.091 -6.393 1.454 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.770 -7.785 1.876 1.00 0.00 N ATOM 0 H LYS A 63 -0.817 -1.995 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.676 -3.541 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.399 -5.513 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.669 -5.409 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.260 -4.626 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.946 -4.226 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.571 -6.579 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.960 -7.064 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.219 -5.757 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.889 -5.998 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.022 -7.765 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.621 -8.233 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.442 -8.330 1.053 1.00 0.00 H new ATOM 985 N ARG A 64 -3.666 -2.149 -3.053 1.00 0.00 N ATOM 986 CA ARG A 64 -4.965 -1.582 -2.721 1.00 0.00 C ATOM 987 C ARG A 64 -6.069 -2.534 -3.180 1.00 0.00 C ATOM 988 O ARG A 64 -5.878 -3.749 -3.192 1.00 0.00 O ATOM 989 CB ARG A 64 -5.151 -0.196 -3.358 1.00 0.00 C ATOM 990 CG ARG A 64 -3.864 0.460 -3.826 1.00 0.00 C ATOM 991 CD ARG A 64 -3.432 -0.071 -5.181 1.00 0.00 C ATOM 992 NE ARG A 64 -4.438 0.169 -6.213 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.257 -0.116 -7.499 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.112 -0.648 -7.910 1.00 0.00 N ATOM 995 NH2 ARG A 64 -5.219 0.130 -8.378 1.00 0.00 N ATOM 0 H ARG A 64 -3.308 -1.880 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.021 -1.455 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.827 -0.289 -4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.636 0.460 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.004 1.539 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.076 0.280 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.494 0.402 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.239 -1.141 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.329 0.578 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.368 -0.839 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.976 -0.866 -8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.101 0.539 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.077 -0.090 -9.364 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.220 -1.987 -3.560 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.338 -2.801 -4.019 1.00 0.00 C ATOM 1011 C CYS A 65 -9.116 -2.058 -5.094 1.00 0.00 C ATOM 1012 O CYS A 65 -9.266 -0.838 -5.023 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.265 -3.146 -2.853 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.680 -2.563 -1.227 1.00 0.00 S ATOM 0 H CYS A 65 -7.402 -0.983 -3.559 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.943 -3.727 -4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.248 -2.717 -3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.392 -4.228 -2.813 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.611 -2.785 -6.091 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.363 -2.150 -7.164 1.00 0.00 C ATOM 1021 C ARG A 66 -11.622 -1.494 -6.609 1.00 0.00 C ATOM 1022 O ARG A 66 -12.258 -2.008 -5.694 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.712 -3.151 -8.269 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.567 -2.561 -9.377 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.858 -1.407 -10.067 1.00 0.00 C ATOM 1026 NE ARG A 66 -9.693 -1.855 -10.825 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.080 -1.115 -11.746 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.524 0.104 -12.025 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.024 -1.593 -12.388 1.00 0.00 N ATOM 0 H ARG A 66 -9.507 -3.796 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.734 -1.378 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.789 -3.539 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.238 -3.998 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.803 -3.334 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.514 -2.214 -8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.554 -0.902 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.546 -0.675 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.328 -2.789 -10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.337 0.476 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.053 0.669 -12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.680 -2.530 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.556 -1.024 -13.093 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.972 -0.358 -7.190 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.150 0.385 -6.755 1.00 0.00 C ATOM 1045 C HIS A 67 -14.433 -0.416 -6.995 1.00 0.00 C ATOM 1046 O HIS A 67 -14.738 -0.774 -8.133 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.229 1.720 -7.495 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.167 2.699 -6.864 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.439 2.940 -7.336 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -14.008 3.502 -5.787 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -16.023 3.851 -6.577 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.175 4.207 -5.631 1.00 0.00 N ATOM 0 H HIS A 67 -11.461 0.071 -7.962 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.056 0.566 -5.684 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.233 2.161 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.544 1.538 -8.523 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -15.864 2.486 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -13.127 3.575 -5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -17.023 4.238 -6.709 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.203 -0.711 -5.924 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.462 -1.454 -6.036 1.00 0.00 C ATOM 1063 C PRO A 68 -17.382 -0.824 -7.073 1.00 0.00 C ATOM 1064 O PRO A 68 -18.245 -1.497 -7.637 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.075 -1.379 -4.632 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.282 -0.344 -3.903 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.917 -0.343 -4.532 1.00 0.00 C ATOM 0 HA PRO A 68 -16.308 -2.482 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.129 -1.105 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.019 -2.344 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.750 0.637 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.221 -0.577 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.439 0.634 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.250 -1.059 -4.053 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.193 0.463 -7.330 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.024 1.147 -8.298 1.00 0.00 C ATOM 1077 C GLY A 69 -18.999 2.127 -7.669 1.00 0.00 C ATOM 1078 O GLY A 69 -18.931 2.429 -6.477 1.00 0.00 O ATOM 0 H GLY A 69 -16.481 1.043 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.385 1.682 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.583 0.408 -8.873 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.906 2.613 -8.506 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.906 3.577 -8.066 1.00 0.00 C ATOM 1084 C GLU A 70 -22.037 2.890 -7.298 1.00 0.00 C ATOM 1085 O GLU A 70 -22.507 1.818 -7.679 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.463 4.362 -9.254 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.488 5.414 -8.863 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.935 6.430 -7.882 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.175 7.320 -8.316 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.263 6.333 -6.680 1.00 0.00 O ATOM 0 H GLU A 70 -19.970 2.356 -9.491 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.417 4.277 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.639 4.847 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.920 3.665 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.834 5.930 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -23.356 4.924 -8.422 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.459 3.531 -6.207 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.553 3.032 -5.376 1.00 0.00 C ATOM 1099 C LEU A 71 -24.846 3.715 -5.805 1.00 0.00 C ATOM 1100 O LEU A 71 -25.122 4.842 -5.393 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.273 3.327 -3.893 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.837 2.322 -2.876 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.635 2.845 -1.461 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.312 2.037 -3.125 1.00 0.00 C ATOM 0 H LEU A 71 -22.053 4.407 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.643 1.953 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.193 3.383 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.676 4.312 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.294 1.384 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.038 2.127 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.570 2.986 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.152 3.798 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.674 1.322 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.880 2.963 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.439 1.621 -4.124 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.636 3.041 -6.634 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.904 3.617 -7.072 1.00 0.00 C ATOM 1118 C ARG A 72 -27.823 3.760 -5.869 1.00 0.00 C ATOM 1119 O ARG A 72 -28.088 2.797 -5.149 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.560 2.791 -8.177 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.956 3.269 -8.541 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.485 2.566 -9.779 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.720 2.911 -10.973 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.027 2.485 -12.194 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.078 1.698 -12.383 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.282 2.847 -13.230 1.00 0.00 N ATOM 0 H ARG A 72 -25.429 2.116 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.711 4.600 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.930 2.822 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.612 1.750 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.632 3.090 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.939 4.345 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.451 1.487 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.531 2.834 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.904 3.513 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.654 1.417 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.310 1.373 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.473 3.452 -13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.518 2.520 -14.167 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.298 4.988 -5.668 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.124 5.307 -4.518 1.00 0.00 C ATOM 1142 C ASN A 73 -28.283 5.042 -3.286 1.00 0.00 C ATOM 1143 O ASN A 73 -28.757 4.480 -2.303 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.408 4.473 -4.497 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.392 4.894 -5.571 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.330 4.236 -6.722 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -32.202 5.798 -5.367 1.00 0.00 N flip ATOM 0 H ASN A 73 -28.121 5.776 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.441 6.349 -4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -30.156 3.421 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.881 4.565 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.215 6.278 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.860 6.068 -6.098 1.00 0.00 H new ATOM 1154 N GLY A 74 -27.031 5.490 -3.341 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.129 5.267 -2.237 1.00 0.00 C ATOM 1156 C GLY A 74 -24.848 6.071 -2.359 1.00 0.00 C ATOM 1157 O GLY A 74 -24.624 6.747 -3.361 1.00 0.00 O ATOM 0 H GLY A 74 -26.632 6.000 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.630 5.528 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.884 4.206 -2.181 1.00 0.00 H new ATOM 1161 N GLN A 75 -24.006 5.994 -1.332 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.745 6.725 -1.326 1.00 0.00 C ATOM 1163 C GLN A 75 -21.583 5.825 -0.915 1.00 0.00 C ATOM 1164 O GLN A 75 -21.683 5.064 0.047 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.828 7.927 -0.382 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.963 8.883 -0.712 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.892 10.170 0.087 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.271 11.144 -0.340 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -24.526 10.180 1.253 1.00 0.00 N ATOM 0 H GLN A 75 -24.174 5.434 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.563 7.077 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.952 7.568 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.884 8.471 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.937 9.118 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.916 8.391 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.028 9.350 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.511 11.018 1.835 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.483 5.922 -1.654 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.296 5.127 -1.363 1.00 0.00 C ATOM 1180 C VAL A 76 -18.213 5.998 -0.738 1.00 0.00 C ATOM 1181 O VAL A 76 -17.557 6.776 -1.431 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.731 4.450 -2.624 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.555 3.554 -2.260 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.815 3.654 -3.333 1.00 0.00 C ATOM 0 H VAL A 76 -20.389 6.543 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.599 4.349 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.377 5.223 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.165 3.081 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.771 4.153 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.886 2.785 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.397 3.182 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.200 2.886 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.626 4.322 -3.624 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.028 5.871 0.570 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.016 6.657 1.265 1.00 0.00 C ATOM 1196 C GLU A 77 -15.610 6.195 0.893 1.00 0.00 C ATOM 1197 O GLU A 77 -15.039 5.319 1.543 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.217 6.574 2.781 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.132 7.278 3.581 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.521 7.493 5.031 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.219 8.489 5.317 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.128 6.666 5.880 1.00 0.00 O ATOM 0 H GLU A 77 -18.560 5.237 1.167 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.127 7.695 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.184 7.009 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.252 5.526 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.215 6.690 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.914 8.242 3.121 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.065 6.782 -0.169 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.719 6.451 -0.624 1.00 0.00 C ATOM 1211 C ILE A 78 -12.779 7.620 -0.373 1.00 0.00 C ATOM 1212 O ILE A 78 -13.127 8.774 -0.625 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.692 6.086 -2.123 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.459 4.784 -2.373 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.256 5.965 -2.618 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.848 3.567 -1.709 1.00 0.00 C ATOM 0 H ILE A 78 -15.536 7.491 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.390 5.580 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.181 6.885 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.482 4.904 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.515 4.609 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.257 5.707 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.741 6.915 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.742 5.186 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.451 2.688 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.835 3.418 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.818 3.718 -0.630 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.588 7.319 0.125 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.610 8.354 0.426 1.00 0.00 C ATOM 1230 C LYS A 79 -9.200 7.788 0.445 1.00 0.00 C ATOM 1231 O LYS A 79 -8.266 8.398 -0.076 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.925 9.003 1.780 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.055 8.018 2.938 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.300 7.149 2.819 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.530 6.327 4.076 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.520 5.237 3.857 1.00 0.00 N ATOM 0 H LYS A 79 -11.277 6.369 0.329 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.668 9.108 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.139 9.721 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.854 9.565 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.171 7.381 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.087 8.568 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.169 7.780 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.199 6.484 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.584 5.897 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.880 6.979 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.327 5.366 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.854 5.264 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.071 4.318 4.045 1.00 0.00 H new ATOM 1250 N THR A 80 -9.053 6.619 1.050 1.00 0.00 N ATOM 1251 CA THR A 80 -7.757 5.971 1.154 1.00 0.00 C ATOM 1252 C THR A 80 -7.371 5.259 -0.138 1.00 0.00 C ATOM 1253 O THR A 80 -6.500 4.389 -0.135 1.00 0.00 O ATOM 1254 CB THR A 80 -7.748 4.962 2.313 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.506 3.798 1.959 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.335 5.593 3.567 1.00 0.00 C ATOM 0 H THR A 80 -9.819 6.099 1.478 1.00 0.00 H new ATOM 0 HA THR A 80 -7.024 6.755 1.345 1.00 0.00 H new ATOM 0 HB THR A 80 -6.716 4.671 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.628 3.234 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.322 4.867 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.742 6.463 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.362 5.902 3.372 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.023 5.631 -1.243 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.727 5.023 -2.540 1.00 0.00 C ATOM 1266 C ASP A 81 -8.009 3.531 -2.532 1.00 0.00 C ATOM 1267 O ASP A 81 -7.665 2.816 -3.474 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.265 5.227 -2.888 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.922 6.681 -3.146 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.681 7.418 -2.167 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.895 7.084 -4.328 1.00 0.00 O ATOM 0 H ASP A 81 -8.752 6.344 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.368 5.505 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.646 4.851 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.021 4.638 -3.772 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.624 3.077 -1.456 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.952 1.670 -1.290 1.00 0.00 C ATOM 1278 C LEU A 82 -7.683 0.854 -1.130 1.00 0.00 C ATOM 1279 O LEU A 82 -7.451 -0.098 -1.864 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.743 1.185 -2.488 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.079 1.885 -2.684 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.963 2.991 -3.722 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -12.123 0.875 -3.085 1.00 0.00 C ATOM 0 H LEU A 82 -8.910 3.668 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.558 1.547 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.140 1.322 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.920 0.115 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.379 2.348 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.931 3.477 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.228 3.725 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.647 2.565 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -13.080 1.377 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.825 0.394 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.220 0.122 -2.303 1.00 0.00 H new ATOM 1295 N SER A 83 -6.885 1.220 -0.150 1.00 0.00 N ATOM 1296 CA SER A 83 -5.654 0.500 0.143 1.00 0.00 C ATOM 1297 C SER A 83 -5.930 -0.608 1.157 1.00 0.00 C ATOM 1298 O SER A 83 -6.574 -0.370 2.179 1.00 0.00 O ATOM 1299 CB SER A 83 -4.588 1.456 0.681 1.00 0.00 C ATOM 1300 OG SER A 83 -5.042 2.127 1.843 1.00 0.00 O ATOM 0 H SER A 83 -7.064 2.015 0.463 1.00 0.00 H new ATOM 0 HA SER A 83 -5.281 0.054 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.679 0.900 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.330 2.186 -0.086 1.00 0.00 H new ATOM 0 HG SER A 83 -5.675 1.555 2.325 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.451 -1.817 0.861 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.649 -2.974 1.739 1.00 0.00 C ATOM 1308 C PHE A 84 -5.628 -2.574 3.212 1.00 0.00 C ATOM 1309 O PHE A 84 -4.839 -1.724 3.623 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.571 -4.031 1.475 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.446 -5.060 2.565 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.296 -6.152 2.610 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.475 -4.932 3.547 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.181 -7.097 3.612 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.356 -5.874 4.551 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.209 -6.958 4.584 1.00 0.00 C ATOM 0 H PHE A 84 -4.920 -2.022 0.015 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.631 -3.391 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.794 -4.537 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.610 -3.532 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.058 -6.267 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.804 -4.086 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.851 -7.944 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.596 -5.762 5.310 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.117 -7.696 5.367 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.497 -3.195 4.003 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.555 -2.895 5.418 1.00 0.00 C ATOM 1328 C GLY A 85 -7.323 -1.622 5.708 1.00 0.00 C ATOM 1329 O GLY A 85 -6.961 -0.866 6.610 1.00 0.00 O ATOM 0 H GLY A 85 -7.162 -3.901 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.024 -3.727 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.542 -2.802 5.809 1.00 0.00 H new ATOM 1333 N SER A 86 -8.386 -1.379 4.943 1.00 0.00 N ATOM 1334 CA SER A 86 -9.195 -0.182 5.138 1.00 0.00 C ATOM 1335 C SER A 86 -10.684 -0.478 5.080 1.00 0.00 C ATOM 1336 O SER A 86 -11.127 -1.454 4.475 1.00 0.00 O ATOM 1337 CB SER A 86 -8.854 0.889 4.103 1.00 0.00 C ATOM 1338 OG SER A 86 -8.995 0.388 2.785 1.00 0.00 O ATOM 0 H SER A 86 -8.703 -1.990 4.190 1.00 0.00 H new ATOM 0 HA SER A 86 -8.958 0.188 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.506 1.752 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.832 1.235 4.256 1.00 0.00 H new ATOM 0 HG SER A 86 -8.249 -0.214 2.582 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.439 0.393 5.728 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.886 0.278 5.775 1.00 0.00 C ATOM 1346 C GLN A 87 -13.527 1.414 4.982 1.00 0.00 C ATOM 1347 O GLN A 87 -13.138 2.574 5.122 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.364 0.282 7.233 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.791 0.775 7.431 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.858 2.274 7.648 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.067 3.018 6.570 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.734 2.756 8.774 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.068 1.197 6.234 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.188 -0.665 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.285 -0.730 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.692 0.908 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.389 0.509 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.233 0.266 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.574 2.145 9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.791 3.766 8.906 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.486 1.071 4.129 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.192 2.065 3.326 1.00 0.00 C ATOM 1363 C ILE A 88 -16.700 1.884 3.464 1.00 0.00 C ATOM 1364 O ILE A 88 -17.311 1.076 2.764 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.791 2.003 1.837 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.947 0.585 1.285 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.359 2.486 1.659 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.905 0.520 -0.226 1.00 0.00 C ATOM 0 H ILE A 88 -14.793 0.111 3.975 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.905 3.046 3.705 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.458 2.658 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.154 -0.044 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.893 0.170 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.087 2.438 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.276 3.515 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.687 1.852 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.021 -0.514 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.714 1.122 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.949 0.905 -0.580 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.292 2.638 4.383 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.725 2.553 4.633 1.00 0.00 C ATOM 1382 C GLU A 89 -19.526 2.952 3.405 1.00 0.00 C ATOM 1383 O GLU A 89 -18.967 3.284 2.359 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.125 3.443 5.811 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.025 3.623 6.840 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.483 4.403 8.056 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.021 3.779 8.994 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.306 5.640 8.070 1.00 0.00 O ATOM 0 H GLU A 89 -16.801 3.315 4.967 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.949 1.514 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.420 4.422 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.000 3.013 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.665 2.644 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.183 4.139 6.379 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.843 2.918 3.547 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.741 3.279 2.463 1.00 0.00 C ATOM 1397 C PHE A 90 -22.870 4.155 2.991 1.00 0.00 C ATOM 1398 O PHE A 90 -22.943 4.419 4.192 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.299 2.017 1.800 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.231 1.057 1.355 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.743 0.091 2.223 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.714 1.120 0.070 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.761 -0.792 1.816 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.732 0.240 -0.341 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.255 -0.718 0.532 1.00 0.00 C ATOM 0 H PHE A 90 -21.314 2.642 4.408 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.187 3.845 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.964 1.511 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.902 2.304 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.135 0.028 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.084 1.866 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.389 -1.540 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.337 0.301 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.488 -1.408 0.212 1.00 0.00 H new ATOM 1415 N SER A 91 -23.755 4.599 2.104 1.00 0.00 N ATOM 1416 CA SER A 91 -24.859 5.457 2.526 1.00 0.00 C ATOM 1417 C SER A 91 -26.002 5.469 1.520 1.00 0.00 C ATOM 1418 O SER A 91 -25.885 6.032 0.436 1.00 0.00 O ATOM 1419 CB SER A 91 -24.372 6.887 2.755 1.00 0.00 C ATOM 1420 OG SER A 91 -23.383 6.938 3.767 1.00 0.00 O ATOM 0 H SER A 91 -23.733 4.385 1.107 1.00 0.00 H new ATOM 0 HA SER A 91 -25.237 5.041 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.966 7.288 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.214 7.520 3.034 1.00 0.00 H new ATOM 0 HG SER A 91 -23.377 6.092 4.262 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.116 4.870 1.913 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.284 4.839 1.040 1.00 0.00 C ATOM 1428 C CYS A 92 -29.060 6.144 1.205 1.00 0.00 C ATOM 1429 O CYS A 92 -29.531 6.463 2.296 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.175 3.627 1.336 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.399 2.018 0.958 1.00 0.00 S ATOM 0 H CYS A 92 -27.238 4.406 2.813 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.953 4.741 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.455 3.644 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.096 3.718 0.760 1.00 0.00 H new ATOM 1436 N SER A 93 -29.175 6.896 0.111 1.00 0.00 N ATOM 1437 CA SER A 93 -29.858 8.193 0.123 1.00 0.00 C ATOM 1438 C SER A 93 -31.195 8.154 0.856 1.00 0.00 C ATOM 1439 O SER A 93 -31.731 7.085 1.148 1.00 0.00 O ATOM 1440 CB SER A 93 -30.084 8.687 -1.306 1.00 0.00 C ATOM 1441 OG SER A 93 -28.908 9.273 -1.837 1.00 0.00 O ATOM 0 H SER A 93 -28.802 6.629 -0.800 1.00 0.00 H new ATOM 0 HA SER A 93 -29.206 8.879 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.395 7.854 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.894 9.416 -1.318 1.00 0.00 H new ATOM 0 HG SER A 93 -29.079 9.579 -2.752 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.721 9.346 1.140 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.003 9.499 1.824 1.00 0.00 C ATOM 1449 C GLU A 94 -34.026 8.507 1.282 1.00 0.00 C ATOM 1450 O GLU A 94 -33.977 8.127 0.113 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.512 10.932 1.644 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.995 11.100 1.929 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.490 12.502 1.638 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.447 13.351 2.553 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.925 12.752 0.494 1.00 0.00 O ATOM 0 H GLU A 94 -31.271 10.230 0.903 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.861 9.296 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.948 11.593 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.310 11.253 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.560 10.387 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.190 10.860 2.974 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.960 8.101 2.140 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.986 7.160 1.738 1.00 0.00 C ATOM 1464 C GLY A 95 -35.452 5.748 1.585 1.00 0.00 C ATOM 1465 O GLY A 95 -36.170 4.784 1.830 1.00 0.00 O ATOM 0 H GLY A 95 -35.022 8.410 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.787 7.164 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.422 7.484 0.793 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.190 5.620 1.188 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.592 4.307 0.983 1.00 0.00 C ATOM 1471 C PHE A 96 -32.593 4.006 2.098 1.00 0.00 C ATOM 1472 O PHE A 96 -31.806 4.869 2.486 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.888 4.244 -0.375 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.797 4.475 -1.550 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.348 5.725 -1.784 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -34.094 3.442 -2.425 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.179 5.940 -2.867 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.926 3.651 -3.508 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.469 4.901 -3.730 1.00 0.00 C ATOM 0 H PHE A 96 -33.565 6.405 1.003 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.385 3.560 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.092 4.988 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.415 3.268 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.125 6.541 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -33.670 2.463 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.601 6.919 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -35.152 2.837 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 96 -36.119 5.066 -4.577 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.634 2.782 2.615 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.732 2.379 3.688 1.00 0.00 C ATOM 1491 C PHE A 97 -30.691 1.386 3.188 1.00 0.00 C ATOM 1492 O PHE A 97 -30.807 0.828 2.098 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.528 1.796 4.863 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.176 0.470 4.585 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.226 0.369 3.688 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.747 -0.675 5.239 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.836 -0.846 3.445 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.351 -1.895 4.998 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.398 -1.980 4.101 1.00 0.00 C ATOM 0 H PHE A 97 -33.280 2.054 2.309 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.200 3.264 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.861 1.687 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.300 2.509 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.573 1.252 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.932 -0.613 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.654 -0.909 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.005 -2.780 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.873 -2.931 3.913 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.678 1.178 4.022 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.586 0.273 3.686 1.00 0.00 C ATOM 1511 C LEU A 98 -28.894 -1.152 4.114 1.00 0.00 C ATOM 1512 O LEU A 98 -29.469 -1.388 5.177 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.290 0.741 4.340 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.032 0.023 3.850 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.823 0.929 3.987 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.822 -1.275 4.614 1.00 0.00 C ATOM 0 H LEU A 98 -29.591 1.624 4.935 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.468 0.285 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.174 1.810 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.373 0.605 5.418 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.162 -0.223 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.934 0.405 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.974 1.829 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.691 1.204 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.922 -1.770 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.712 -1.058 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.681 -1.929 4.464 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.500 -2.099 3.272 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.695 -3.524 3.525 1.00 0.00 C ATOM 1530 C ILE A 99 -27.672 -4.321 2.740 1.00 0.00 C ATOM 1531 O ILE A 99 -27.762 -4.481 1.524 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.093 -3.995 3.076 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.992 -2.794 2.805 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.710 -4.909 4.121 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.186 -3.106 1.931 1.00 0.00 C ATOM 0 H ILE A 99 -28.033 -1.900 2.387 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.588 -3.682 4.598 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.990 -4.563 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.345 -2.395 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.401 -2.011 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.696 -5.231 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.072 -5.782 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.805 -4.371 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.776 -2.201 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.843 -3.476 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.801 -3.866 2.413 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.695 -4.815 3.486 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.607 -5.585 2.921 1.00 0.00 C ATOM 1549 C GLY A 100 -24.445 -5.673 3.884 1.00 0.00 C ATOM 1550 O GLY A 100 -24.027 -6.759 4.287 1.00 0.00 O ATOM 0 H GLY A 100 -26.638 -4.692 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.956 -6.588 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.277 -5.125 1.989 1.00 0.00 H new ATOM 1554 N SER A 101 -23.944 -4.500 4.250 1.00 0.00 N ATOM 1555 CA SER A 101 -22.823 -4.351 5.168 1.00 0.00 C ATOM 1556 C SER A 101 -22.355 -2.908 5.109 1.00 0.00 C ATOM 1557 O SER A 101 -21.710 -2.503 4.142 1.00 0.00 O ATOM 1558 CB SER A 101 -21.673 -5.290 4.797 1.00 0.00 C ATOM 1559 OG SER A 101 -20.601 -5.170 5.715 1.00 0.00 O ATOM 0 H SER A 101 -24.312 -3.611 3.911 1.00 0.00 H new ATOM 0 HA SER A 101 -23.144 -4.611 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.030 -6.320 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.322 -5.060 3.791 1.00 0.00 H new ATOM 0 HG SER A 101 -19.937 -4.541 5.362 1.00 0.00 H new ATOM 1565 N THR A 102 -22.677 -2.124 6.133 1.00 0.00 N ATOM 1566 CA THR A 102 -22.312 -0.717 6.141 1.00 0.00 C ATOM 1567 C THR A 102 -20.807 -0.543 6.134 1.00 0.00 C ATOM 1568 O THR A 102 -20.304 0.575 6.037 1.00 0.00 O ATOM 1569 CB THR A 102 -22.896 0.022 7.360 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.323 -0.496 8.567 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.409 -0.121 7.413 1.00 0.00 C ATOM 0 H THR A 102 -23.185 -2.438 6.960 1.00 0.00 H new ATOM 0 HA THR A 102 -22.734 -0.284 5.234 1.00 0.00 H new ATOM 0 HB THR A 102 -22.652 1.080 7.263 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.698 -0.020 9.337 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.794 0.410 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.846 0.300 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.672 -1.176 7.486 1.00 0.00 H new ATOM 1579 N THR A 103 -20.091 -1.646 6.246 1.00 0.00 N ATOM 1580 CA THR A 103 -18.648 -1.609 6.231 1.00 0.00 C ATOM 1581 C THR A 103 -18.121 -2.454 5.085 1.00 0.00 C ATOM 1582 O THR A 103 -18.795 -3.372 4.619 1.00 0.00 O ATOM 1583 CB THR A 103 -18.068 -2.102 7.558 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.607 -3.387 7.889 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.375 -1.110 8.668 1.00 0.00 C ATOM 0 H THR A 103 -20.490 -2.579 6.348 1.00 0.00 H new ATOM 0 HA THR A 103 -18.335 -0.574 6.090 1.00 0.00 H new ATOM 0 HB THR A 103 -16.987 -2.190 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.227 -3.692 8.739 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.957 -1.473 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.934 -0.143 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.455 -1.001 8.770 1.00 0.00 H new ATOM 1593 N SER A 104 -16.916 -2.144 4.632 1.00 0.00 N ATOM 1594 CA SER A 104 -16.283 -2.895 3.566 1.00 0.00 C ATOM 1595 C SER A 104 -14.780 -2.928 3.825 1.00 0.00 C ATOM 1596 O SER A 104 -14.115 -1.894 3.789 1.00 0.00 O ATOM 1597 CB SER A 104 -16.585 -2.265 2.203 1.00 0.00 C ATOM 1598 OG SER A 104 -16.203 -3.125 1.147 1.00 0.00 O ATOM 0 H SER A 104 -16.356 -1.371 4.991 1.00 0.00 H new ATOM 0 HA SER A 104 -16.676 -3.911 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.650 -2.045 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.056 -1.316 2.113 1.00 0.00 H new ATOM 0 HG SER A 104 -15.295 -2.900 0.854 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.249 -4.117 4.086 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.828 -4.284 4.386 1.00 0.00 C ATOM 1606 C ARG A 105 -12.071 -4.887 3.210 1.00 0.00 C ATOM 1607 O ARG A 105 -12.629 -5.635 2.411 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.656 -5.170 5.621 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.434 -4.678 6.831 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.276 -5.618 8.016 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.885 -5.723 8.451 1.00 0.00 N ATOM 1612 CZ ARG A 105 -11.368 -6.814 9.009 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.122 -7.891 9.192 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -10.096 -6.830 9.384 1.00 0.00 N ATOM 0 H ARG A 105 -14.783 -4.986 4.096 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.412 -3.296 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.977 -6.183 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.598 -5.223 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.088 -3.682 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.490 -4.589 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.889 -5.263 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.647 -6.607 7.746 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.277 -4.915 8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.101 -7.883 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.723 -8.726 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.513 -6.005 9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.701 -7.667 9.812 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.784 -4.573 3.138 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.926 -5.053 2.067 1.00 0.00 C ATOM 1630 C CYS A 106 -8.965 -6.110 2.581 1.00 0.00 C ATOM 1631 O CYS A 106 -8.173 -5.859 3.488 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.135 -3.893 1.461 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.405 -4.271 -0.166 1.00 0.00 S ATOM 0 H CYS A 106 -10.309 -3.980 3.819 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.559 -5.497 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.793 -3.030 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.339 -3.610 2.149 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.045 -7.295 1.995 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.199 -8.404 2.394 1.00 0.00 C ATOM 1640 C GLU A 107 -7.313 -8.835 1.233 1.00 0.00 C ATOM 1641 O GLU A 107 -7.305 -8.187 0.189 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.075 -9.558 2.879 1.00 0.00 C ATOM 1643 CG GLU A 107 -10.016 -10.102 1.817 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.914 -11.203 2.344 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -11.932 -10.880 2.993 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.603 -12.389 2.106 1.00 0.00 O ATOM 0 H GLU A 107 -9.692 -7.512 1.237 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.547 -8.093 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.433 -10.366 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.662 -9.222 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.632 -9.289 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.432 -10.484 0.980 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.543 -9.901 1.426 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.660 -10.381 0.368 1.00 0.00 C ATOM 1655 C VAL A 108 -5.706 -11.890 0.171 1.00 0.00 C ATOM 1656 O VAL A 108 -5.586 -12.673 1.113 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.202 -9.950 0.606 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.258 -10.674 -0.345 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.076 -8.451 0.431 1.00 0.00 C ATOM 0 H VAL A 108 -6.511 -10.442 2.290 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.039 -9.917 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.923 -10.217 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.234 -10.352 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.335 -11.750 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.528 -10.440 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.042 -8.151 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.372 -8.177 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.723 -7.945 1.148 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.882 -12.266 -1.090 1.00 0.00 N ATOM 1670 CA GLN A 109 -5.923 -13.663 -1.491 1.00 0.00 C ATOM 1671 C GLN A 109 -4.938 -13.904 -2.628 1.00 0.00 C ATOM 1672 O GLN A 109 -4.814 -13.079 -3.535 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.341 -14.043 -1.920 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.381 -13.789 -0.839 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.802 -13.938 -1.344 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.073 -14.712 -2.262 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.723 -13.192 -0.740 1.00 0.00 N ATOM 0 H GLN A 109 -6.000 -11.610 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.638 -14.288 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.608 -13.477 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.361 -15.098 -2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.219 -14.484 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.246 -12.784 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.454 -12.564 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.698 -13.249 -1.034 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.236 -15.031 -2.573 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.250 -15.374 -3.589 1.00 0.00 C ATOM 1688 C ASP A 110 -2.090 -14.384 -3.576 1.00 0.00 C ATOM 1689 O ASP A 110 -1.061 -14.629 -2.946 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.902 -15.413 -4.970 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.844 -16.590 -5.133 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.360 -17.703 -5.425 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -6.067 -16.396 -4.970 1.00 0.00 O ATOM 0 H ASP A 110 -4.333 -15.725 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.855 -16.364 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.451 -14.486 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.126 -15.464 -5.734 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.265 -13.268 -4.271 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.239 -12.236 -4.338 1.00 0.00 C ATOM 1700 C ARG A 111 -1.756 -10.982 -5.034 1.00 0.00 C ATOM 1701 O ARG A 111 -0.977 -10.122 -5.444 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.002 -12.764 -5.062 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.208 -12.973 -6.553 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.957 -14.263 -6.841 1.00 0.00 C ATOM 1705 NE ARG A 111 -1.036 -14.540 -8.273 1.00 0.00 N ATOM 1706 CZ ARG A 111 -1.451 -15.699 -8.780 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -1.828 -16.682 -7.975 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -1.488 -15.872 -10.094 1.00 0.00 N ATOM 0 H ARG A 111 -3.111 -13.054 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.969 -11.969 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.821 -12.065 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.297 -13.710 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.763 -12.130 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.759 -12.994 -7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.459 -15.092 -6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.964 -14.198 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.757 -13.804 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.801 -16.552 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.145 -17.569 -8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.199 -15.117 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.806 -16.760 -10.483 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.075 -10.880 -5.159 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.667 -9.723 -5.802 1.00 0.00 C ATOM 1724 C GLY A 112 -4.740 -9.084 -4.954 1.00 0.00 C ATOM 1725 O GLY A 112 -5.615 -8.389 -5.467 1.00 0.00 O ATOM 0 H GLY A 112 -3.743 -11.576 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.889 -8.990 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.093 -10.021 -6.760 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.641 -9.309 -3.646 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.586 -8.776 -2.662 1.00 0.00 C ATOM 1731 C VAL A 113 -7.041 -9.057 -3.036 1.00 0.00 C ATOM 1732 O VAL A 113 -7.442 -8.986 -4.196 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.372 -7.262 -2.381 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.505 -6.618 -3.442 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.690 -6.522 -2.241 1.00 0.00 C ATOM 0 H VAL A 113 -3.897 -9.871 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.373 -9.312 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.849 -7.188 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.376 -5.560 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.531 -7.106 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.983 -6.724 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.496 -5.467 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.262 -6.621 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.259 -6.946 -1.414 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.822 -9.374 -2.018 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.213 -9.680 -2.272 1.00 0.00 C ATOM 1747 C GLY A 114 -10.167 -8.700 -1.617 1.00 0.00 C ATOM 1748 O GLY A 114 -9.873 -8.165 -0.549 1.00 0.00 O ATOM 0 H GLY A 114 -7.529 -9.425 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.387 -9.684 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.430 -10.685 -1.911 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.310 -8.457 -2.252 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.320 -7.558 -1.703 1.00 0.00 C ATOM 1754 C TRP A 115 -13.321 -8.351 -0.869 1.00 0.00 C ATOM 1755 O TRP A 115 -13.847 -9.368 -1.322 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.062 -6.808 -2.818 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.897 -5.315 -2.761 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.575 -4.486 -3.799 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.051 -4.471 -1.612 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.521 -3.182 -3.361 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.807 -3.149 -2.027 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.371 -4.704 -0.273 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.873 -2.068 -1.155 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.435 -3.628 0.592 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.188 -2.326 0.148 1.00 0.00 C ATOM 0 H TRP A 115 -11.560 -8.871 -3.150 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.814 -6.826 -1.074 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.705 -7.167 -3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.123 -7.049 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.390 -4.807 -4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.302 -2.371 -3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.565 -5.706 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.682 -1.061 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.680 -3.796 1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.248 -1.507 0.850 1.00 0.00 H new ATOM 1776 N SER A 116 -13.583 -7.888 0.347 1.00 0.00 N ATOM 1777 CA SER A 116 -14.520 -8.572 1.233 1.00 0.00 C ATOM 1778 C SER A 116 -15.934 -8.552 0.654 1.00 0.00 C ATOM 1779 O SER A 116 -16.630 -9.567 0.659 1.00 0.00 O ATOM 1780 CB SER A 116 -14.515 -7.927 2.620 1.00 0.00 C ATOM 1781 OG SER A 116 -13.248 -8.063 3.240 1.00 0.00 O ATOM 0 H SER A 116 -13.163 -7.046 0.742 1.00 0.00 H new ATOM 0 HA SER A 116 -14.198 -9.609 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.770 -6.871 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.280 -8.390 3.243 1.00 0.00 H new ATOM 0 HG SER A 116 -12.649 -7.358 2.918 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.353 -7.389 0.156 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.687 -7.233 -0.422 1.00 0.00 C ATOM 1789 C HIS A 117 -17.853 -5.844 -1.035 1.00 0.00 C ATOM 1790 O HIS A 117 -17.414 -4.850 -0.457 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.756 -7.448 0.651 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.148 -7.555 0.108 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.796 -8.594 -0.472 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -21.049 -6.510 0.130 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -22.061 -8.161 -0.785 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -22.188 -6.901 -0.412 1.00 0.00 N flip ATOM 0 H HIS A 117 -15.787 -6.540 0.141 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.805 -7.980 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.522 -8.357 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.716 -6.622 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.853 -5.526 0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -22.828 -8.755 -1.260 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.024 -6.327 -0.523 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.490 -5.754 -2.216 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.711 -4.480 -2.892 1.00 0.00 C ATOM 1807 C PRO A 118 -19.950 -3.756 -2.369 1.00 0.00 C ATOM 1808 O PRO A 118 -20.321 -3.907 -1.205 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.901 -4.901 -4.345 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.554 -6.238 -4.258 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.040 -6.884 -2.992 1.00 0.00 C ATOM 0 HA PRO A 118 -17.893 -3.776 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.523 -4.189 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.948 -4.957 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.639 -6.139 -4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.312 -6.846 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.838 -7.391 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.276 -7.631 -3.206 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.581 -2.969 -3.237 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.772 -2.220 -2.876 1.00 0.00 C ATOM 1821 C LEU A 119 -22.828 -3.118 -2.239 1.00 0.00 C ATOM 1822 O LEU A 119 -22.931 -4.301 -2.566 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.361 -1.546 -4.116 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.358 -0.857 -5.046 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.316 -0.093 -4.243 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.702 -1.860 -5.984 1.00 0.00 C ATOM 0 H LEU A 119 -20.280 -2.836 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.479 -1.465 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.902 -2.297 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.092 -0.806 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.903 -0.140 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.614 0.389 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.809 0.665 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.777 -0.784 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.995 -1.343 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.174 -2.614 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.466 -2.343 -6.593 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.630 -2.560 -1.315 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.689 -3.297 -0.635 1.00 0.00 C ATOM 1840 C PRO A 120 -26.004 -3.251 -1.411 1.00 0.00 C ATOM 1841 O PRO A 120 -26.020 -3.415 -2.631 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.812 -2.540 0.682 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.516 -1.122 0.323 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.560 -1.160 -0.847 1.00 0.00 C ATOM 0 HA PRO A 120 -24.468 -4.358 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.810 -2.642 1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.109 -2.917 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.430 -0.591 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.073 -0.593 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.857 -0.462 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.548 -0.889 -0.546 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.103 -3.026 -0.697 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.419 -2.953 -1.322 1.00 0.00 C ATOM 1854 C GLN A 121 -29.198 -1.755 -0.791 1.00 0.00 C ATOM 1855 O GLN A 121 -29.528 -1.699 0.393 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.205 -4.239 -1.054 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.489 -4.350 -1.862 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.267 -5.615 -1.555 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.553 -6.685 -1.217 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -32.496 -5.635 -1.625 1.00 0.00 N flip ATOM 0 H GLN A 121 -27.108 -2.891 0.314 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.281 -2.835 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.570 -5.096 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.448 -4.291 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.118 -3.483 -1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.248 -4.326 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -33.006 -4.792 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -33.005 -6.495 -1.420 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.491 -0.794 -1.664 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.238 0.386 -1.249 1.00 0.00 C ATOM 1871 C CYS A 122 -31.692 0.277 -1.697 1.00 0.00 C ATOM 1872 O CYS A 122 -32.001 0.376 -2.884 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.604 1.660 -1.810 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.015 2.112 -1.034 1.00 0.00 S ATOM 0 H CYS A 122 -29.226 -0.809 -2.649 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.208 0.442 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.449 1.533 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.304 2.486 -1.685 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.576 0.069 -0.729 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.003 -0.063 -1.004 1.00 0.00 C ATOM 1881 C GLU A 123 -34.783 0.972 -0.206 1.00 0.00 C ATOM 1882 O GLU A 123 -34.443 1.287 0.932 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.483 -1.472 -0.644 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.985 -1.659 -0.783 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.431 -3.066 -0.438 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.233 -3.972 -1.273 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.978 -3.261 0.668 1.00 0.00 O ATOM 0 H GLU A 123 -32.329 -0.012 0.257 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.174 0.105 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.975 -2.194 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.191 -1.695 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.498 -0.950 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.283 -1.428 -1.806 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.834 1.498 -0.827 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.664 2.512 -0.193 1.00 0.00 C ATOM 1896 C ILE A 124 -37.496 1.914 0.938 1.00 0.00 C ATOM 1897 O ILE A 124 -37.782 0.716 0.947 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.595 3.189 -1.219 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.280 4.409 -0.596 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.626 2.196 -1.736 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.092 5.220 -1.583 1.00 0.00 C ATOM 0 H ILE A 124 -36.130 1.238 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.994 3.264 0.224 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.995 3.529 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.933 4.076 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.522 5.051 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.276 2.689 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.117 1.360 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.225 1.827 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.547 6.067 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.441 5.584 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.873 4.593 -2.013 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.879 2.758 1.888 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.672 2.325 3.032 1.00 0.00 C ATOM 1915 C LEU A 125 -40.156 2.271 2.679 1.00 0.00 C ATOM 1916 O LEU A 125 -40.976 1.801 3.469 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.451 3.276 4.212 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.995 3.433 4.664 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.872 4.568 5.668 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.474 2.133 5.261 1.00 0.00 C ATOM 0 H LEU A 125 -37.652 3.752 1.888 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.349 1.322 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.838 4.259 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.040 2.922 5.058 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.388 3.675 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.832 4.667 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.203 5.499 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.493 4.353 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.439 2.266 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -37.083 1.859 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.527 1.342 4.513 1.00 0.00 H new