USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN :FLIP amide:sc= -2.18! C(o=-2.3!,f=-0.91!) USER MOD Set 1.2: A 96 THR OG1 : rot 111:sc= 1.27 USER MOD Set 2.1: A 73 SER OG : rot 180:sc= -1.21 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -1.79 X(o=-3,f=-2.6) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0.0168 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 170:sc= 0.0171 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -4.81! C(o=-4.8!,f=-9!) USER MOD Single : A 19 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.3!) USER MOD Single : A 29 SER OG : rot 140:sc= -0.0809 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 33 TYR OH : rot 177:sc= -0.878! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.01! C(o=-2!,f=-4.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -9.42! C(o=-10!,f=-9.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 2:sc= -1.24! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.8!) USER MOD Single : A 68 SER OG : rot -17:sc= -0.106! USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0254) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.00899 F(o=-0.53,f=0.009) USER MOD Single : A 76 SER OG : rot 62:sc= 1.13 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.47 F(o=-2.4!,f=-1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -130:sc= -0.555 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 83:sc= 1.57 USER MOD Single : A 97 TYR OH : rot 54:sc= -3.34 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -4.33! C(o=-4.3!,f=-8.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 76:sc= 0.561 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.496 F(o=-1.4,f=-0.5) USER MOD Single : A 109 SER OG : rot -133:sc= -6.41! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -140:sc= -1.37 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -34.365 2.746 1.178 1.00 0.00 N ATOM 2 CA ARG A 7 -33.411 3.345 2.104 1.00 0.00 C ATOM 3 C ARG A 7 -31.983 3.216 1.585 1.00 0.00 C ATOM 4 O ARG A 7 -31.727 2.528 0.597 1.00 0.00 O ATOM 5 CB ARG A 7 -33.524 2.685 3.480 1.00 0.00 C ATOM 6 CG ARG A 7 -34.929 2.719 4.060 1.00 0.00 C ATOM 7 CD ARG A 7 -34.908 2.615 5.576 1.00 0.00 C ATOM 8 NE ARG A 7 -35.730 3.643 6.208 1.00 0.00 N ATOM 9 CZ ARG A 7 -35.817 3.811 7.524 1.00 0.00 C ATOM 10 NH1 ARG A 7 -35.134 3.021 8.341 1.00 0.00 N ATOM 11 NH2 ARG A 7 -36.586 4.768 8.024 1.00 0.00 N ATOM 0 HA ARG A 7 -33.649 4.405 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -33.197 1.648 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.843 3.184 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.424 3.644 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.515 1.898 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.265 1.630 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.881 2.703 5.931 1.00 0.00 H new ATOM 0 HE ARG A 7 -36.267 4.267 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.541 2.284 7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.201 3.151 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -37.113 5.378 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -36.651 4.895 9.034 1.00 0.00 H new ATOM 25 N ARG A 8 -31.056 3.884 2.264 1.00 0.00 N ATOM 26 CA ARG A 8 -29.648 3.847 1.885 1.00 0.00 C ATOM 27 C ARG A 8 -29.006 2.532 2.315 1.00 0.00 C ATOM 28 O ARG A 8 -29.613 1.740 3.036 1.00 0.00 O ATOM 29 CB ARG A 8 -28.904 5.022 2.523 1.00 0.00 C ATOM 30 CG ARG A 8 -29.654 6.340 2.425 1.00 0.00 C ATOM 31 CD ARG A 8 -28.812 7.497 2.935 1.00 0.00 C ATOM 32 NE ARG A 8 -28.624 7.439 4.382 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.296 8.491 5.126 1.00 0.00 C ATOM 34 NH1 ARG A 8 -28.143 8.357 6.436 1.00 0.00 N ATOM 35 NH2 ARG A 8 -28.120 9.677 4.560 1.00 0.00 N ATOM 0 H ARG A 8 -31.256 4.459 3.082 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.582 3.925 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.717 4.797 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.932 5.130 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.937 6.523 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.577 6.279 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.840 7.483 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.291 8.439 2.669 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.752 6.541 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.277 7.446 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.891 9.165 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.236 9.783 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.868 10.483 5.132 1.00 0.00 H new ATOM 49 N CYS A 9 -27.774 2.306 1.870 1.00 0.00 N ATOM 50 CA CYS A 9 -27.046 1.094 2.215 1.00 0.00 C ATOM 51 C CYS A 9 -26.350 1.252 3.564 1.00 0.00 C ATOM 52 O CYS A 9 -26.139 2.369 4.035 1.00 0.00 O ATOM 53 CB CYS A 9 -26.024 0.767 1.128 1.00 0.00 C ATOM 54 SG CYS A 9 -26.738 -0.027 -0.349 1.00 0.00 S ATOM 0 H CYS A 9 -27.259 2.949 1.268 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.758 0.272 2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.523 1.687 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.261 0.111 1.547 1.00 0.00 H new ATOM 59 N PRO A 10 -25.996 0.130 4.212 1.00 0.00 N ATOM 60 CA PRO A 10 -25.340 0.150 5.523 1.00 0.00 C ATOM 61 C PRO A 10 -23.913 0.682 5.454 1.00 0.00 C ATOM 62 O PRO A 10 -23.359 0.866 4.370 1.00 0.00 O ATOM 63 CB PRO A 10 -25.345 -1.317 5.948 1.00 0.00 C ATOM 64 CG PRO A 10 -25.395 -2.075 4.670 1.00 0.00 C ATOM 65 CD PRO A 10 -26.219 -1.243 3.728 1.00 0.00 C ATOM 0 HA PRO A 10 -25.853 0.811 6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.453 -1.567 6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -26.205 -1.545 6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.393 -2.237 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -25.843 -3.058 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.894 -1.364 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.273 -1.517 3.765 1.00 0.00 H new ATOM 73 N SER A 11 -23.326 0.929 6.620 1.00 0.00 N ATOM 74 CA SER A 11 -21.963 1.438 6.698 1.00 0.00 C ATOM 75 C SER A 11 -21.015 0.581 5.864 1.00 0.00 C ATOM 76 O SER A 11 -20.678 -0.537 6.253 1.00 0.00 O ATOM 77 CB SER A 11 -21.492 1.465 8.154 1.00 0.00 C ATOM 78 OG SER A 11 -20.434 2.391 8.332 1.00 0.00 O ATOM 0 H SER A 11 -23.774 0.785 7.525 1.00 0.00 H new ATOM 0 HA SER A 11 -21.956 2.452 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.325 1.731 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.162 0.470 8.451 1.00 0.00 H new ATOM 0 HG SER A 11 -20.153 2.390 9.271 1.00 0.00 H new ATOM 84 N PRO A 12 -20.576 1.083 4.695 1.00 0.00 N ATOM 85 CA PRO A 12 -19.661 0.343 3.828 1.00 0.00 C ATOM 86 C PRO A 12 -18.362 -0.004 4.543 1.00 0.00 C ATOM 87 O PRO A 12 -17.869 0.768 5.365 1.00 0.00 O ATOM 88 CB PRO A 12 -19.394 1.296 2.658 1.00 0.00 C ATOM 89 CG PRO A 12 -19.852 2.639 3.112 1.00 0.00 C ATOM 90 CD PRO A 12 -20.914 2.404 4.145 1.00 0.00 C ATOM 0 HA PRO A 12 -20.086 -0.610 3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.335 1.311 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.935 0.980 1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.023 3.209 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.246 3.217 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.901 3.174 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.911 2.411 3.704 1.00 0.00 H new ATOM 98 N ARG A 13 -17.814 -1.172 4.227 1.00 0.00 N ATOM 99 CA ARG A 13 -16.573 -1.632 4.852 1.00 0.00 C ATOM 100 C ARG A 13 -15.535 -0.527 4.897 1.00 0.00 C ATOM 101 O ARG A 13 -15.151 0.032 3.874 1.00 0.00 O ATOM 102 CB ARG A 13 -16.003 -2.836 4.115 1.00 0.00 C ATOM 103 CG ARG A 13 -16.287 -4.157 4.806 1.00 0.00 C ATOM 104 CD ARG A 13 -15.179 -5.162 4.545 1.00 0.00 C ATOM 105 NE ARG A 13 -15.064 -6.149 5.614 1.00 0.00 N ATOM 106 CZ ARG A 13 -14.002 -6.930 5.783 1.00 0.00 C ATOM 107 NH1 ARG A 13 -12.970 -6.837 4.955 1.00 0.00 N ATOM 108 NH2 ARG A 13 -13.970 -7.804 6.779 1.00 0.00 N ATOM 0 H ARG A 13 -18.207 -1.819 3.543 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.817 -1.924 5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.418 -2.865 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.925 -2.713 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.389 -3.995 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.237 -4.559 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.369 -5.673 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.231 -4.635 4.437 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.841 -6.245 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.991 -6.166 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.156 -7.437 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.762 -7.878 7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.154 -8.402 6.907 1.00 0.00 H new ATOM 122 N ASP A 14 -15.086 -0.239 6.100 1.00 0.00 N ATOM 123 CA ASP A 14 -14.105 0.808 6.336 1.00 0.00 C ATOM 124 C ASP A 14 -12.704 0.398 5.888 1.00 0.00 C ATOM 125 O ASP A 14 -11.787 1.217 5.910 1.00 0.00 O ATOM 126 CB ASP A 14 -14.092 1.143 7.822 1.00 0.00 C ATOM 127 CG ASP A 14 -14.644 2.525 8.112 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.790 2.617 8.601 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.930 3.516 7.850 1.00 0.00 O ATOM 0 H ASP A 14 -15.389 -0.723 6.945 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.390 1.680 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.678 0.400 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.071 1.078 8.197 1.00 0.00 H new ATOM 134 N ILE A 15 -12.552 -0.872 5.504 1.00 0.00 N ATOM 135 CA ILE A 15 -11.265 -1.427 5.071 1.00 0.00 C ATOM 136 C ILE A 15 -10.152 -1.155 6.083 1.00 0.00 C ATOM 137 O ILE A 15 -10.254 -0.262 6.921 1.00 0.00 O ATOM 138 CB ILE A 15 -10.833 -0.900 3.685 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.676 -1.738 3.146 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.429 0.566 3.740 1.00 0.00 C ATOM 141 CD1 ILE A 15 -9.325 -1.419 1.716 1.00 0.00 C ATOM 0 H ILE A 15 -13.318 -1.546 5.484 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.421 -2.503 4.999 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.690 -0.985 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.798 -1.579 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.935 -2.794 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.132 0.899 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.273 1.163 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.593 0.687 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.496 -2.050 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.190 -1.605 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.035 -0.371 1.637 1.00 0.00 H new ATOM 153 N ASP A 16 -9.087 -1.942 6.004 1.00 0.00 N ATOM 154 CA ASP A 16 -7.941 -1.751 6.872 1.00 0.00 C ATOM 155 C ASP A 16 -6.844 -1.017 6.116 1.00 0.00 C ATOM 156 O ASP A 16 -6.839 -0.996 4.885 1.00 0.00 O ATOM 157 CB ASP A 16 -7.420 -3.094 7.370 1.00 0.00 C ATOM 158 CG ASP A 16 -6.836 -3.004 8.765 1.00 0.00 C ATOM 159 OD1 ASP A 16 -6.443 -1.891 9.173 1.00 0.00 O ATOM 160 OD2 ASP A 16 -6.773 -4.046 9.451 1.00 0.00 O ATOM 0 H ASP A 16 -8.996 -2.717 5.347 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.247 -1.157 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.233 -3.821 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.658 -3.463 6.683 1.00 0.00 H new ATOM 165 N ASN A 17 -5.930 -0.395 6.850 1.00 0.00 N ATOM 166 CA ASN A 17 -4.831 0.357 6.237 1.00 0.00 C ATOM 167 C ASN A 17 -5.325 1.197 5.057 1.00 0.00 C ATOM 168 O ASN A 17 -4.584 1.443 4.105 1.00 0.00 O ATOM 169 CB ASN A 17 -3.706 -0.584 5.769 1.00 0.00 C ATOM 170 CG ASN A 17 -4.162 -2.017 5.547 1.00 0.00 C ATOM 171 OD1 ASN A 17 -4.287 -2.473 4.411 1.00 0.00 O ATOM 172 ND2 ASN A 17 -4.404 -2.737 6.637 1.00 0.00 N ATOM 0 H ASN A 17 -5.924 -0.394 7.870 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.434 1.026 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.284 -0.198 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.906 -0.577 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.706 -3.707 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.288 -2.319 7.560 1.00 0.00 H new ATOM 179 N GLY A 18 -6.588 1.617 5.120 1.00 0.00 N ATOM 180 CA GLY A 18 -7.163 2.411 4.047 1.00 0.00 C ATOM 181 C GLY A 18 -8.273 3.331 4.527 1.00 0.00 C ATOM 182 O GLY A 18 -8.636 3.313 5.703 1.00 0.00 O ATOM 0 H GLY A 18 -7.222 1.421 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.378 3.008 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.556 1.745 3.278 1.00 0.00 H new ATOM 186 N GLN A 19 -8.806 4.142 3.615 1.00 0.00 N ATOM 187 CA GLN A 19 -9.881 5.074 3.947 1.00 0.00 C ATOM 188 C GLN A 19 -10.881 5.174 2.800 1.00 0.00 C ATOM 189 O GLN A 19 -10.495 5.206 1.631 1.00 0.00 O ATOM 190 CB GLN A 19 -9.316 6.465 4.259 1.00 0.00 C ATOM 191 CG GLN A 19 -7.912 6.447 4.844 1.00 0.00 C ATOM 192 CD GLN A 19 -7.648 7.626 5.759 1.00 0.00 C ATOM 193 OE1 GLN A 19 -8.578 8.255 6.265 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.374 7.933 5.977 1.00 0.00 N ATOM 0 H GLN A 19 -8.510 4.172 2.639 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.392 4.693 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.309 7.057 3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.983 6.968 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.765 5.521 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.184 6.451 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.635 7.385 5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.135 8.717 6.584 1.00 0.00 H new ATOM 203 N LEU A 20 -12.164 5.240 3.138 1.00 0.00 N ATOM 204 CA LEU A 20 -13.213 5.314 2.131 1.00 0.00 C ATOM 205 C LEU A 20 -13.530 6.750 1.739 1.00 0.00 C ATOM 206 O LEU A 20 -13.331 7.684 2.516 1.00 0.00 O ATOM 207 CB LEU A 20 -14.479 4.642 2.644 1.00 0.00 C ATOM 208 CG LEU A 20 -14.438 3.120 2.640 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.685 2.566 3.290 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.195 2.622 3.357 1.00 0.00 C ATOM 0 H LEU A 20 -12.501 5.244 4.101 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.846 4.796 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.669 4.984 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.321 4.971 2.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.400 2.772 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.646 1.477 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.747 2.920 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.563 2.902 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.180 1.532 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.307 3.002 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.204 2.974 4.389 1.00 0.00 H new ATOM 222 N ASP A 21 -14.061 6.902 0.534 1.00 0.00 N ATOM 223 CA ASP A 21 -14.481 8.200 0.022 1.00 0.00 C ATOM 224 C ASP A 21 -15.946 8.129 -0.386 1.00 0.00 C ATOM 225 O ASP A 21 -16.267 7.943 -1.560 1.00 0.00 O ATOM 226 CB ASP A 21 -13.619 8.612 -1.173 1.00 0.00 C ATOM 227 CG ASP A 21 -13.048 10.008 -1.021 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.254 10.225 -0.082 1.00 0.00 O ATOM 229 OD2 ASP A 21 -13.394 10.884 -1.842 1.00 0.00 O ATOM 0 H ASP A 21 -14.213 6.131 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.357 8.949 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.803 7.900 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.218 8.565 -2.083 1.00 0.00 H new ATOM 234 N ILE A 22 -16.827 8.208 0.605 1.00 0.00 N ATOM 235 CA ILE A 22 -18.261 8.070 0.372 1.00 0.00 C ATOM 236 C ILE A 22 -18.866 9.312 -0.263 1.00 0.00 C ATOM 237 O ILE A 22 -19.054 10.336 0.394 1.00 0.00 O ATOM 238 CB ILE A 22 -19.029 7.752 1.670 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.171 6.895 2.610 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.337 7.048 1.342 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.944 6.254 3.744 1.00 0.00 C ATOM 0 H ILE A 22 -16.573 8.367 1.580 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.363 7.234 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.256 8.688 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.686 6.112 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.380 7.517 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.873 6.827 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.950 7.693 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.127 6.118 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.264 5.666 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.407 7.030 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.717 5.604 3.335 1.00 0.00 H new ATOM 253 N GLY A 23 -19.211 9.191 -1.538 1.00 0.00 N ATOM 254 CA GLY A 23 -19.878 10.268 -2.236 1.00 0.00 C ATOM 255 C GLY A 23 -21.325 9.917 -2.532 1.00 0.00 C ATOM 256 O GLY A 23 -21.941 10.487 -3.433 1.00 0.00 O ATOM 0 H GLY A 23 -19.039 8.359 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -19.837 11.176 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.354 10.480 -3.168 1.00 0.00 H new ATOM 260 N GLY A 24 -21.858 8.955 -1.777 1.00 0.00 N ATOM 261 CA GLY A 24 -23.226 8.513 -1.977 1.00 0.00 C ATOM 262 C GLY A 24 -23.433 7.088 -1.500 1.00 0.00 C ATOM 263 O GLY A 24 -22.712 6.180 -1.914 1.00 0.00 O ATOM 0 H GLY A 24 -21.361 8.474 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.905 9.178 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.480 8.583 -3.035 1.00 0.00 H new ATOM 267 N VAL A 25 -24.402 6.892 -0.612 1.00 0.00 N ATOM 268 CA VAL A 25 -24.669 5.569 -0.060 1.00 0.00 C ATOM 269 C VAL A 25 -26.091 5.109 -0.358 1.00 0.00 C ATOM 270 O VAL A 25 -26.692 4.379 0.431 1.00 0.00 O ATOM 271 CB VAL A 25 -24.445 5.542 1.463 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.982 5.794 1.790 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.337 6.561 2.154 1.00 0.00 C ATOM 0 H VAL A 25 -25.013 7.629 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.968 4.887 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.712 4.552 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -22.842 5.771 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.368 5.021 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.686 6.770 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.164 6.526 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.106 7.559 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.382 6.329 1.947 1.00 0.00 H new ATOM 283 N ASP A 26 -26.620 5.520 -1.503 1.00 0.00 N ATOM 284 CA ASP A 26 -27.970 5.129 -1.897 1.00 0.00 C ATOM 285 C ASP A 26 -27.933 3.995 -2.915 1.00 0.00 C ATOM 286 O ASP A 26 -26.981 3.869 -3.685 1.00 0.00 O ATOM 287 CB ASP A 26 -28.747 6.319 -2.470 1.00 0.00 C ATOM 288 CG ASP A 26 -27.860 7.319 -3.190 1.00 0.00 C ATOM 289 OD1 ASP A 26 -27.068 8.007 -2.512 1.00 0.00 O ATOM 290 OD2 ASP A 26 -27.960 7.415 -4.432 1.00 0.00 O ATOM 0 H ASP A 26 -26.139 6.121 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.483 4.780 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -29.505 5.951 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -29.273 6.826 -1.661 1.00 0.00 H new ATOM 295 N PHE A 27 -28.977 3.172 -2.910 1.00 0.00 N ATOM 296 CA PHE A 27 -29.071 2.045 -3.831 1.00 0.00 C ATOM 297 C PHE A 27 -28.792 2.487 -5.263 1.00 0.00 C ATOM 298 O PHE A 27 -29.699 2.905 -5.984 1.00 0.00 O ATOM 299 CB PHE A 27 -30.459 1.407 -3.739 1.00 0.00 C ATOM 300 CG PHE A 27 -30.703 0.330 -4.758 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.949 0.189 -5.346 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.691 -0.545 -5.120 1.00 0.00 C ATOM 303 CE1 PHE A 27 -32.182 -0.802 -6.280 1.00 0.00 C ATOM 304 CE2 PHE A 27 -29.918 -1.539 -6.054 1.00 0.00 C ATOM 305 CZ PHE A 27 -31.166 -1.667 -6.634 1.00 0.00 C ATOM 0 H PHE A 27 -29.771 3.265 -2.277 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.319 1.308 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.589 0.986 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.214 2.184 -3.858 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.748 0.862 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -28.715 -0.449 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -33.158 -0.900 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -29.121 -2.214 -6.330 1.00 0.00 H new ATOM 0 HZ PHE A 27 -31.346 -2.443 -7.363 1.00 0.00 H new ATOM 315 N GLY A 28 -27.529 2.398 -5.666 1.00 0.00 N ATOM 316 CA GLY A 28 -27.147 2.795 -7.008 1.00 0.00 C ATOM 317 C GLY A 28 -25.963 3.748 -7.031 1.00 0.00 C ATOM 318 O GLY A 28 -25.546 4.195 -8.100 1.00 0.00 O ATOM 0 H GLY A 28 -26.762 2.057 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.902 1.905 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.998 3.270 -7.497 1.00 0.00 H new ATOM 322 N SER A 29 -25.416 4.063 -5.858 1.00 0.00 N ATOM 323 CA SER A 29 -24.272 4.963 -5.769 1.00 0.00 C ATOM 324 C SER A 29 -22.966 4.175 -5.766 1.00 0.00 C ATOM 325 O SER A 29 -22.942 2.995 -6.115 1.00 0.00 O ATOM 326 CB SER A 29 -24.369 5.820 -4.506 1.00 0.00 C ATOM 327 OG SER A 29 -24.472 7.196 -4.829 1.00 0.00 O ATOM 0 H SER A 29 -25.746 3.709 -4.960 1.00 0.00 H new ATOM 0 HA SER A 29 -24.281 5.616 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 29 -25.237 5.515 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.490 5.655 -3.882 1.00 0.00 H new ATOM 0 HG SER A 29 -25.117 7.625 -4.229 1.00 0.00 H new ATOM 333 N SER A 30 -21.881 4.831 -5.369 1.00 0.00 N ATOM 334 CA SER A 30 -20.579 4.178 -5.314 1.00 0.00 C ATOM 335 C SER A 30 -19.623 4.933 -4.398 1.00 0.00 C ATOM 336 O SER A 30 -19.753 6.142 -4.205 1.00 0.00 O ATOM 337 CB SER A 30 -19.977 4.065 -6.718 1.00 0.00 C ATOM 338 OG SER A 30 -20.362 5.162 -7.529 1.00 0.00 O ATOM 0 H SER A 30 -21.877 5.810 -5.082 1.00 0.00 H new ATOM 0 HA SER A 30 -20.725 3.177 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.890 4.024 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.302 3.134 -7.182 1.00 0.00 H new ATOM 0 HG SER A 30 -19.963 5.067 -8.419 1.00 0.00 H new ATOM 344 N ILE A 31 -18.663 4.208 -3.836 1.00 0.00 N ATOM 345 CA ILE A 31 -17.676 4.799 -2.935 1.00 0.00 C ATOM 346 C ILE A 31 -16.286 4.740 -3.556 1.00 0.00 C ATOM 347 O ILE A 31 -16.104 4.149 -4.616 1.00 0.00 O ATOM 348 CB ILE A 31 -17.632 4.082 -1.563 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.939 3.346 -1.271 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.354 5.076 -0.456 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.855 2.438 -0.063 1.00 0.00 C ATOM 0 H ILE A 31 -18.545 3.206 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.979 5.834 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.827 3.348 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.733 4.077 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.218 2.755 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.326 4.556 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.394 5.560 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.142 5.829 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.815 1.946 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.083 1.686 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.606 3.028 0.819 1.00 0.00 H new ATOM 363 N THR A 32 -15.306 5.337 -2.885 1.00 0.00 N ATOM 364 CA THR A 32 -13.930 5.318 -3.371 1.00 0.00 C ATOM 365 C THR A 32 -12.973 4.895 -2.263 1.00 0.00 C ATOM 366 O THR A 32 -12.890 5.543 -1.222 1.00 0.00 O ATOM 367 CB THR A 32 -13.532 6.689 -3.914 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.679 7.477 -4.182 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.721 6.605 -5.187 1.00 0.00 C ATOM 0 H THR A 32 -15.438 5.838 -2.006 1.00 0.00 H new ATOM 0 HA THR A 32 -13.868 4.591 -4.180 1.00 0.00 H new ATOM 0 HB THR A 32 -12.919 7.146 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.402 8.351 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.468 7.610 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.805 6.044 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.304 6.100 -5.957 1.00 0.00 H new ATOM 377 N TYR A 33 -12.252 3.804 -2.491 1.00 0.00 N ATOM 378 CA TYR A 33 -11.335 3.276 -1.486 1.00 0.00 C ATOM 379 C TYR A 33 -9.902 3.736 -1.716 1.00 0.00 C ATOM 380 O TYR A 33 -9.450 3.876 -2.852 1.00 0.00 O ATOM 381 CB TYR A 33 -11.401 1.751 -1.467 1.00 0.00 C ATOM 382 CG TYR A 33 -12.572 1.240 -0.672 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.866 1.421 -1.131 1.00 0.00 C ATOM 384 CD2 TYR A 33 -12.388 0.637 0.562 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.950 0.982 -0.397 1.00 0.00 C ATOM 386 CE2 TYR A 33 -13.467 0.195 1.305 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.746 0.370 0.819 1.00 0.00 C ATOM 388 OH TYR A 33 -15.823 -0.066 1.554 1.00 0.00 O ATOM 0 H TYR A 33 -12.283 3.269 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.650 3.668 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.469 1.380 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.477 1.355 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.030 1.913 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.388 0.511 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.953 1.118 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.309 -0.284 2.260 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.505 -0.519 2.363 1.00 0.00 H new ATOM 398 N SER A 34 -9.195 3.961 -0.614 1.00 0.00 N ATOM 399 CA SER A 34 -7.803 4.390 -0.661 1.00 0.00 C ATOM 400 C SER A 34 -7.039 3.840 0.540 1.00 0.00 C ATOM 401 O SER A 34 -7.642 3.371 1.505 1.00 0.00 O ATOM 402 CB SER A 34 -7.715 5.917 -0.682 1.00 0.00 C ATOM 403 OG SER A 34 -7.359 6.391 -1.970 1.00 0.00 O ATOM 0 H SER A 34 -9.567 3.852 0.329 1.00 0.00 H new ATOM 0 HA SER A 34 -7.353 4.001 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.674 6.344 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.978 6.252 0.048 1.00 0.00 H new ATOM 0 HG SER A 34 -7.311 7.370 -1.957 1.00 0.00 H new ATOM 409 N CYS A 35 -5.714 3.893 0.477 1.00 0.00 N ATOM 410 CA CYS A 35 -4.882 3.390 1.560 1.00 0.00 C ATOM 411 C CYS A 35 -4.691 4.452 2.639 1.00 0.00 C ATOM 412 O CYS A 35 -4.893 5.642 2.397 1.00 0.00 O ATOM 413 CB CYS A 35 -3.530 2.936 1.013 1.00 0.00 C ATOM 414 SG CYS A 35 -3.452 1.159 0.616 1.00 0.00 S ATOM 0 H CYS A 35 -5.195 4.279 -0.312 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.385 2.536 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.302 3.509 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.756 3.169 1.745 1.00 0.00 H new ATOM 419 N ASN A 36 -4.330 4.007 3.838 1.00 0.00 N ATOM 420 CA ASN A 36 -4.141 4.912 4.967 1.00 0.00 C ATOM 421 C ASN A 36 -3.058 5.947 4.672 1.00 0.00 C ATOM 422 O ASN A 36 -3.353 7.051 4.215 1.00 0.00 O ATOM 423 CB ASN A 36 -3.787 4.121 6.229 1.00 0.00 C ATOM 424 CG ASN A 36 -4.996 3.865 7.107 1.00 0.00 C ATOM 425 OD1 ASN A 36 -6.061 4.447 6.901 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.837 2.991 8.095 1.00 0.00 N ATOM 0 H ASN A 36 -4.162 3.024 4.054 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.079 5.443 5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.340 3.169 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.036 4.668 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.616 2.780 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.936 2.532 8.229 1.00 0.00 H new ATOM 433 N SER A 37 -1.806 5.591 4.946 1.00 0.00 N ATOM 434 CA SER A 37 -0.689 6.495 4.707 1.00 0.00 C ATOM 435 C SER A 37 0.595 5.718 4.454 1.00 0.00 C ATOM 436 O SER A 37 0.934 4.798 5.198 1.00 0.00 O ATOM 437 CB SER A 37 -0.501 7.436 5.897 1.00 0.00 C ATOM 438 OG SER A 37 0.833 7.911 5.967 1.00 0.00 O ATOM 0 H SER A 37 -1.542 4.685 5.333 1.00 0.00 H new ATOM 0 HA SER A 37 -0.918 7.085 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.186 8.279 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.753 6.915 6.820 1.00 0.00 H new ATOM 0 HG SER A 37 0.926 8.512 6.736 1.00 0.00 H new ATOM 444 N GLY A 38 1.307 6.100 3.403 1.00 0.00 N ATOM 445 CA GLY A 38 2.541 5.422 3.060 1.00 0.00 C ATOM 446 C GLY A 38 2.298 4.002 2.591 1.00 0.00 C ATOM 447 O GLY A 38 3.191 3.157 2.655 1.00 0.00 O ATOM 0 H GLY A 38 1.052 6.868 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.055 5.979 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.201 5.409 3.928 1.00 0.00 H new ATOM 451 N TYR A 39 1.083 3.740 2.121 1.00 0.00 N ATOM 452 CA TYR A 39 0.714 2.415 1.645 1.00 0.00 C ATOM 453 C TYR A 39 0.419 2.437 0.151 1.00 0.00 C ATOM 454 O TYR A 39 0.588 3.460 -0.513 1.00 0.00 O ATOM 455 CB TYR A 39 -0.521 1.916 2.396 1.00 0.00 C ATOM 456 CG TYR A 39 -0.203 1.110 3.634 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.917 1.393 4.404 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.028 0.067 4.033 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.207 0.657 5.538 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.746 -0.673 5.165 1.00 0.00 C ATOM 461 CZ TYR A 39 0.373 -0.375 5.914 1.00 0.00 C ATOM 462 OH TYR A 39 0.658 -1.109 7.042 1.00 0.00 O ATOM 0 H TYR A 39 0.336 4.432 2.060 1.00 0.00 H new ATOM 0 HA TYR A 39 1.553 1.744 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.132 2.773 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.122 1.306 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.572 2.201 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.905 -0.170 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.082 0.889 6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.399 -1.481 5.462 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.029 -1.797 7.167 1.00 0.00 H new ATOM 472 N HIS A 40 -0.045 1.306 -0.366 1.00 0.00 N ATOM 473 CA HIS A 40 -0.416 1.202 -1.768 1.00 0.00 C ATOM 474 C HIS A 40 -1.612 0.268 -1.920 1.00 0.00 C ATOM 475 O HIS A 40 -1.530 -0.919 -1.607 1.00 0.00 O ATOM 476 CB HIS A 40 0.772 0.724 -2.614 1.00 0.00 C ATOM 477 CG HIS A 40 1.047 -0.746 -2.527 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.057 -1.587 -1.466 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 1.367 -1.517 -3.625 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 1.376 -2.836 -1.939 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 1.560 -2.767 -3.244 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.173 0.447 0.168 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.700 2.190 -2.131 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.588 0.985 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.665 1.267 -2.303 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.864 -1.339 -0.496 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.447 -1.155 -4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.462 -3.730 -1.340 1.00 0.00 H new ATOM 490 N LEU A 41 -2.741 0.831 -2.334 1.00 0.00 N ATOM 491 CA LEU A 41 -3.965 0.060 -2.493 1.00 0.00 C ATOM 492 C LEU A 41 -3.947 -0.719 -3.797 1.00 0.00 C ATOM 493 O LEU A 41 -3.858 -0.137 -4.878 1.00 0.00 O ATOM 494 CB LEU A 41 -5.184 0.984 -2.456 1.00 0.00 C ATOM 495 CG LEU A 41 -6.517 0.311 -2.793 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.663 1.025 -2.095 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.736 0.280 -4.296 1.00 0.00 C ATOM 0 H LEU A 41 -2.833 1.820 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.029 -0.648 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.258 1.424 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.021 1.804 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.485 -0.718 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.604 0.534 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.511 0.990 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.698 2.064 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.689 -0.202 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.748 1.299 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.929 -0.279 -4.770 1.00 0.00 H new ATOM 509 N ILE A 42 -4.022 -2.038 -3.691 1.00 0.00 N ATOM 510 CA ILE A 42 -4.030 -2.891 -4.870 1.00 0.00 C ATOM 511 C ILE A 42 -5.432 -3.404 -5.146 1.00 0.00 C ATOM 512 O ILE A 42 -6.256 -3.510 -4.238 1.00 0.00 O ATOM 513 CB ILE A 42 -3.069 -4.093 -4.740 1.00 0.00 C ATOM 514 CG1 ILE A 42 -1.871 -3.739 -3.857 1.00 0.00 C ATOM 515 CG2 ILE A 42 -2.599 -4.534 -6.116 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.157 -2.483 -4.299 1.00 0.00 C ATOM 0 H ILE A 42 -4.078 -2.539 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.686 -2.274 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.607 -4.916 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.210 -3.614 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.166 -4.571 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.922 -5.382 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.459 -4.827 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.078 -3.710 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.318 -2.288 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.789 -2.613 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.849 -1.641 -4.268 1.00 0.00 H new ATOM 528 N GLY A 43 -5.705 -3.701 -6.406 1.00 0.00 N ATOM 529 CA GLY A 43 -7.011 -4.206 -6.776 1.00 0.00 C ATOM 530 C GLY A 43 -8.022 -3.106 -7.024 1.00 0.00 C ATOM 531 O GLY A 43 -7.774 -2.184 -7.800 1.00 0.00 O ATOM 0 H GLY A 43 -5.047 -3.602 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.918 -4.815 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.379 -4.859 -5.985 1.00 0.00 H new ATOM 535 N GLU A 44 -9.167 -3.207 -6.355 1.00 0.00 N ATOM 536 CA GLU A 44 -10.246 -2.247 -6.529 1.00 0.00 C ATOM 537 C GLU A 44 -10.017 -0.967 -5.754 1.00 0.00 C ATOM 538 O GLU A 44 -9.046 -0.830 -5.014 1.00 0.00 O ATOM 539 CB GLU A 44 -11.563 -2.857 -6.079 1.00 0.00 C ATOM 540 CG GLU A 44 -12.276 -3.583 -7.190 1.00 0.00 C ATOM 541 CD GLU A 44 -13.729 -3.177 -7.336 1.00 0.00 C ATOM 542 OE1 GLU A 44 -14.149 -2.210 -6.666 1.00 0.00 O ATOM 543 OE2 GLU A 44 -14.448 -3.825 -8.126 1.00 0.00 O ATOM 0 H GLU A 44 -9.369 -3.949 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.276 -2.000 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.376 -3.550 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.210 -2.070 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.757 -3.394 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.223 -4.656 -7.006 1.00 0.00 H new ATOM 550 N SER A 45 -10.971 -0.061 -5.892 1.00 0.00 N ATOM 551 CA SER A 45 -10.921 1.221 -5.230 1.00 0.00 C ATOM 552 C SER A 45 -12.273 1.911 -5.277 1.00 0.00 C ATOM 553 O SER A 45 -12.352 3.139 -5.237 1.00 0.00 O ATOM 554 CB SER A 45 -9.894 2.094 -5.918 1.00 0.00 C ATOM 555 OG SER A 45 -9.986 1.978 -7.328 1.00 0.00 O ATOM 0 H SER A 45 -11.801 -0.199 -6.468 1.00 0.00 H new ATOM 0 HA SER A 45 -10.649 1.063 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.042 3.134 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.894 1.810 -5.591 1.00 0.00 H new ATOM 0 HG SER A 45 -9.313 2.553 -7.748 1.00 0.00 H new ATOM 561 N LYS A 46 -13.336 1.126 -5.351 1.00 0.00 N ATOM 562 CA LYS A 46 -14.668 1.686 -5.449 1.00 0.00 C ATOM 563 C LYS A 46 -15.756 0.638 -5.200 1.00 0.00 C ATOM 564 O LYS A 46 -15.826 -0.376 -5.894 1.00 0.00 O ATOM 565 CB LYS A 46 -14.840 2.291 -6.836 1.00 0.00 C ATOM 566 CG LYS A 46 -14.326 3.715 -6.951 1.00 0.00 C ATOM 567 CD LYS A 46 -15.104 4.509 -7.989 1.00 0.00 C ATOM 568 CE LYS A 46 -16.589 4.550 -7.668 1.00 0.00 C ATOM 569 NZ LYS A 46 -17.122 5.940 -7.677 1.00 0.00 N ATOM 0 H LYS A 46 -13.300 0.107 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.777 2.449 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.319 1.667 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.897 2.274 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.402 4.209 -5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.270 3.701 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.714 5.526 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.957 4.064 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.134 3.948 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.761 4.102 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.160 5.914 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.745 6.462 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.833 6.417 -8.555 1.00 0.00 H new ATOM 583 N SER A 47 -16.621 0.914 -4.225 1.00 0.00 N ATOM 584 CA SER A 47 -17.746 0.034 -3.907 1.00 0.00 C ATOM 585 C SER A 47 -18.991 0.492 -4.644 1.00 0.00 C ATOM 586 O SER A 47 -19.150 1.685 -4.897 1.00 0.00 O ATOM 587 CB SER A 47 -18.036 0.065 -2.409 1.00 0.00 C ATOM 588 OG SER A 47 -18.807 -1.050 -2.006 1.00 0.00 O ATOM 0 H SER A 47 -16.564 1.746 -3.638 1.00 0.00 H new ATOM 0 HA SER A 47 -17.481 -0.978 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.097 0.078 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.566 0.984 -2.159 1.00 0.00 H new ATOM 0 HG SER A 47 -18.975 -1.628 -2.779 1.00 0.00 H new ATOM 594 N TYR A 48 -19.908 -0.425 -4.943 1.00 0.00 N ATOM 595 CA TYR A 48 -21.148 -0.005 -5.607 1.00 0.00 C ATOM 596 C TYR A 48 -22.380 -0.443 -4.829 1.00 0.00 C ATOM 597 O TYR A 48 -22.755 -1.615 -4.820 1.00 0.00 O ATOM 598 CB TYR A 48 -21.211 -0.485 -7.062 1.00 0.00 C ATOM 599 CG TYR A 48 -19.852 -0.610 -7.698 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.440 -1.792 -8.299 1.00 0.00 C ATOM 601 CD2 TYR A 48 -18.970 0.459 -7.672 1.00 0.00 C ATOM 602 CE1 TYR A 48 -18.187 -1.899 -8.870 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.716 0.362 -8.241 1.00 0.00 C ATOM 604 CZ TYR A 48 -17.328 -0.819 -8.839 1.00 0.00 C ATOM 605 OH TYR A 48 -16.078 -0.920 -9.406 1.00 0.00 O ATOM 0 H TYR A 48 -19.828 -1.423 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.141 1.085 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.714 -1.451 -7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.816 0.211 -7.643 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -20.109 -2.640 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.269 1.383 -7.199 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.881 -2.823 -9.338 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.043 1.206 -8.218 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.601 -0.071 -9.299 1.00 0.00 H new ATOM 615 N CYS A 49 -23.001 0.528 -4.169 1.00 0.00 N ATOM 616 CA CYS A 49 -24.200 0.282 -3.380 1.00 0.00 C ATOM 617 C CYS A 49 -25.300 -0.303 -4.251 1.00 0.00 C ATOM 618 O CYS A 49 -25.965 0.414 -4.997 1.00 0.00 O ATOM 619 CB CYS A 49 -24.685 1.578 -2.726 1.00 0.00 C ATOM 620 SG CYS A 49 -26.299 1.437 -1.892 1.00 0.00 S ATOM 0 H CYS A 49 -22.690 1.499 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.953 -0.436 -2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.941 1.906 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.749 2.354 -3.488 1.00 0.00 H new ATOM 625 N GLU A 50 -25.477 -1.612 -4.159 1.00 0.00 N ATOM 626 CA GLU A 50 -26.485 -2.297 -4.953 1.00 0.00 C ATOM 627 C GLU A 50 -27.459 -3.061 -4.065 1.00 0.00 C ATOM 628 O GLU A 50 -27.451 -2.911 -2.843 1.00 0.00 O ATOM 629 CB GLU A 50 -25.812 -3.249 -5.942 1.00 0.00 C ATOM 630 CG GLU A 50 -26.086 -2.902 -7.396 1.00 0.00 C ATOM 631 CD GLU A 50 -24.880 -3.129 -8.287 1.00 0.00 C ATOM 632 OE1 GLU A 50 -25.042 -3.753 -9.356 1.00 0.00 O ATOM 633 OE2 GLU A 50 -23.775 -2.683 -7.914 1.00 0.00 O ATOM 0 H GLU A 50 -24.937 -2.220 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.052 -1.548 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.736 -3.238 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -26.155 -4.265 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -26.919 -3.504 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -26.393 -1.858 -7.465 1.00 0.00 H new ATOM 640 N LEU A 51 -28.307 -3.869 -4.689 1.00 0.00 N ATOM 641 CA LEU A 51 -29.300 -4.648 -3.961 1.00 0.00 C ATOM 642 C LEU A 51 -28.800 -6.064 -3.698 1.00 0.00 C ATOM 643 O LEU A 51 -27.995 -6.601 -4.459 1.00 0.00 O ATOM 644 CB LEU A 51 -30.610 -4.694 -4.748 1.00 0.00 C ATOM 645 CG LEU A 51 -30.571 -5.572 -5.996 1.00 0.00 C ATOM 646 CD1 LEU A 51 -30.503 -4.717 -7.252 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.779 -6.492 -6.039 1.00 0.00 C ATOM 0 H LEU A 51 -28.327 -4.002 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.474 -4.164 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -31.401 -5.055 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.878 -3.679 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 51 -29.672 -6.188 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -30.476 -5.362 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.381 -4.073 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -29.603 -4.102 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -31.734 -7.110 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -31.781 -7.132 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -32.691 -5.895 -6.056 1.00 0.00 H new ATOM 659 N GLY A 52 -29.282 -6.665 -2.615 1.00 0.00 N ATOM 660 CA GLY A 52 -28.874 -8.014 -2.272 1.00 0.00 C ATOM 661 C GLY A 52 -29.538 -9.059 -3.146 1.00 0.00 C ATOM 662 O GLY A 52 -29.742 -8.841 -4.341 1.00 0.00 O ATOM 0 H GLY A 52 -29.948 -6.241 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.792 -8.099 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.118 -8.210 -1.228 1.00 0.00 H new ATOM 666 N SER A 53 -29.876 -10.198 -2.550 1.00 0.00 N ATOM 667 CA SER A 53 -30.523 -11.280 -3.282 1.00 0.00 C ATOM 668 C SER A 53 -32.038 -11.211 -3.129 1.00 0.00 C ATOM 669 O SER A 53 -32.779 -11.436 -4.086 1.00 0.00 O ATOM 670 CB SER A 53 -30.009 -12.635 -2.789 1.00 0.00 C ATOM 671 OG SER A 53 -30.572 -13.698 -3.537 1.00 0.00 O ATOM 0 H SER A 53 -29.713 -10.395 -1.563 1.00 0.00 H new ATOM 0 HA SER A 53 -30.278 -11.168 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 53 -28.922 -12.666 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.255 -12.759 -1.734 1.00 0.00 H new ATOM 0 HG SER A 53 -30.226 -14.552 -3.203 1.00 0.00 H new ATOM 677 N THR A 54 -32.492 -10.893 -1.922 1.00 0.00 N ATOM 678 CA THR A 54 -33.920 -10.789 -1.645 1.00 0.00 C ATOM 679 C THR A 54 -34.363 -9.331 -1.613 1.00 0.00 C ATOM 680 O THR A 54 -35.218 -8.948 -0.815 1.00 0.00 O ATOM 681 CB THR A 54 -34.251 -11.463 -0.312 1.00 0.00 C ATOM 682 OG1 THR A 54 -33.308 -11.099 0.681 1.00 0.00 O ATOM 683 CG2 THR A 54 -34.274 -12.974 -0.394 1.00 0.00 C ATOM 0 H THR A 54 -31.892 -10.703 -1.119 1.00 0.00 H new ATOM 0 HA THR A 54 -34.458 -11.296 -2.446 1.00 0.00 H new ATOM 0 HB THR A 54 -35.251 -11.116 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 54 -33.537 -11.538 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 54 -34.515 -13.388 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 54 -35.028 -13.288 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 54 -33.296 -13.336 -0.710 1.00 0.00 H new ATOM 691 N GLY A 55 -33.774 -8.520 -2.485 1.00 0.00 N ATOM 692 CA GLY A 55 -34.117 -7.111 -2.539 1.00 0.00 C ATOM 693 C GLY A 55 -33.588 -6.342 -1.344 1.00 0.00 C ATOM 694 O GLY A 55 -34.126 -5.295 -0.983 1.00 0.00 O ATOM 0 H GLY A 55 -33.064 -8.814 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -33.715 -6.677 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -35.201 -7.005 -2.585 1.00 0.00 H new ATOM 698 N SER A 56 -32.532 -6.865 -0.729 1.00 0.00 N ATOM 699 CA SER A 56 -31.927 -6.225 0.432 1.00 0.00 C ATOM 700 C SER A 56 -30.924 -5.158 0.004 1.00 0.00 C ATOM 701 O SER A 56 -30.945 -4.693 -1.135 1.00 0.00 O ATOM 702 CB SER A 56 -31.233 -7.270 1.309 1.00 0.00 C ATOM 703 OG SER A 56 -31.419 -6.989 2.685 1.00 0.00 O ATOM 0 H SER A 56 -32.077 -7.732 -1.016 1.00 0.00 H new ATOM 0 HA SER A 56 -32.719 -5.744 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 56 -31.628 -8.260 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 56 -30.167 -7.291 1.080 1.00 0.00 H new ATOM 0 HG SER A 56 -30.967 -7.673 3.222 1.00 0.00 H new ATOM 709 N MET A 57 -30.053 -4.772 0.928 1.00 0.00 N ATOM 710 CA MET A 57 -29.034 -3.770 0.649 1.00 0.00 C ATOM 711 C MET A 57 -27.643 -4.373 0.788 1.00 0.00 C ATOM 712 O MET A 57 -27.359 -5.088 1.749 1.00 0.00 O ATOM 713 CB MET A 57 -29.183 -2.577 1.595 1.00 0.00 C ATOM 714 CG MET A 57 -30.620 -2.115 1.775 1.00 0.00 C ATOM 715 SD MET A 57 -31.045 -0.732 0.699 1.00 0.00 S ATOM 716 CE MET A 57 -32.811 -0.618 0.974 1.00 0.00 C ATOM 0 H MET A 57 -30.033 -5.139 1.879 1.00 0.00 H new ATOM 0 HA MET A 57 -29.166 -3.424 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.772 -2.843 2.569 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.589 -1.746 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.293 -2.948 1.573 1.00 0.00 H new ATOM 0 HG3 MET A 57 -30.776 -1.824 2.814 1.00 0.00 H new ATOM 0 HE1 MET A 57 -33.221 0.195 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.285 -1.556 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.003 -0.424 2.029 1.00 0.00 H new ATOM 726 N VAL A 58 -26.785 -4.094 -0.183 1.00 0.00 N ATOM 727 CA VAL A 58 -25.427 -4.617 -0.174 1.00 0.00 C ATOM 728 C VAL A 58 -24.465 -3.645 -0.841 1.00 0.00 C ATOM 729 O VAL A 58 -24.881 -2.634 -1.407 1.00 0.00 O ATOM 730 CB VAL A 58 -25.343 -5.974 -0.893 1.00 0.00 C ATOM 731 CG1 VAL A 58 -25.810 -7.096 0.021 1.00 0.00 C ATOM 732 CG2 VAL A 58 -26.162 -5.939 -2.170 1.00 0.00 C ATOM 0 H VAL A 58 -27.006 -3.508 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.145 -4.750 0.870 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.303 -6.167 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.743 -8.047 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.179 -7.128 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.844 -6.918 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.096 -6.905 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.203 -5.726 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -25.776 -5.161 -2.829 1.00 0.00 H new ATOM 742 N TRP A 59 -23.179 -3.960 -0.779 1.00 0.00 N ATOM 743 CA TRP A 59 -22.159 -3.112 -1.376 1.00 0.00 C ATOM 744 C TRP A 59 -21.273 -3.905 -2.327 1.00 0.00 C ATOM 745 O TRP A 59 -20.657 -4.897 -1.936 1.00 0.00 O ATOM 746 CB TRP A 59 -21.294 -2.479 -0.286 1.00 0.00 C ATOM 747 CG TRP A 59 -21.922 -1.285 0.362 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.610 -1.261 1.539 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.902 0.063 -0.122 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.024 0.019 1.816 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.604 0.850 0.810 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.362 0.681 -1.254 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.779 2.220 0.643 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.541 2.040 -1.420 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.239 2.796 -0.475 1.00 0.00 C ATOM 0 H TRP A 59 -22.818 -4.797 -0.321 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.665 -2.330 -1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.083 -3.227 0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.337 -2.186 -0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -22.801 -2.122 2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.557 0.305 2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.814 0.105 -1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.321 2.808 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.135 2.526 -2.295 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.355 3.858 -0.630 1.00 0.00 H new ATOM 766 N ASN A 60 -21.182 -3.441 -3.567 1.00 0.00 N ATOM 767 CA ASN A 60 -20.322 -4.078 -4.554 1.00 0.00 C ATOM 768 C ASN A 60 -18.870 -3.851 -4.170 1.00 0.00 C ATOM 769 O ASN A 60 -18.604 -3.041 -3.290 1.00 0.00 O ATOM 770 CB ASN A 60 -20.595 -3.502 -5.935 1.00 0.00 C ATOM 771 CG ASN A 60 -21.471 -4.398 -6.778 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.287 -4.503 -7.991 1.00 0.00 O ATOM 773 ND2 ASN A 60 -22.421 -5.059 -6.140 1.00 0.00 N ATOM 0 H ASN A 60 -21.692 -2.628 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.528 -5.148 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.073 -2.528 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.648 -3.338 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.038 -5.687 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.537 -4.941 -5.133 1.00 0.00 H new ATOM 780 N PRO A 61 -17.926 -4.585 -4.801 1.00 0.00 N ATOM 781 CA PRO A 61 -16.489 -4.506 -4.549 1.00 0.00 C ATOM 782 C PRO A 61 -16.058 -3.273 -3.764 1.00 0.00 C ATOM 783 O PRO A 61 -15.733 -2.232 -4.334 1.00 0.00 O ATOM 784 CB PRO A 61 -15.951 -4.488 -5.972 1.00 0.00 C ATOM 785 CG PRO A 61 -16.933 -5.311 -6.767 1.00 0.00 C ATOM 786 CD PRO A 61 -18.163 -5.514 -5.901 1.00 0.00 C ATOM 0 HA PRO A 61 -16.122 -5.318 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.885 -3.470 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.948 -4.913 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.197 -4.803 -7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.495 -6.270 -7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -19.082 -5.281 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.250 -6.543 -5.553 1.00 0.00 H new ATOM 794 N GLU A 62 -16.080 -3.408 -2.441 1.00 0.00 N ATOM 795 CA GLU A 62 -15.749 -2.303 -1.548 1.00 0.00 C ATOM 796 C GLU A 62 -14.271 -2.297 -1.158 1.00 0.00 C ATOM 797 O GLU A 62 -13.451 -1.708 -1.857 1.00 0.00 O ATOM 798 CB GLU A 62 -16.629 -2.318 -0.288 1.00 0.00 C ATOM 799 CG GLU A 62 -17.198 -3.679 0.070 1.00 0.00 C ATOM 800 CD GLU A 62 -17.934 -3.679 1.394 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.741 -2.754 1.625 1.00 0.00 O ATOM 802 OE2 GLU A 62 -17.702 -4.603 2.202 1.00 0.00 O ATOM 0 H GLU A 62 -16.325 -4.275 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.950 -1.387 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.041 -1.952 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.454 -1.620 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.878 -4.002 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.388 -4.407 0.110 1.00 0.00 H new ATOM 809 N ALA A 63 -13.943 -2.922 -0.026 1.00 0.00 N ATOM 810 CA ALA A 63 -12.575 -2.930 0.480 1.00 0.00 C ATOM 811 C ALA A 63 -11.650 -3.765 -0.399 1.00 0.00 C ATOM 812 O ALA A 63 -11.692 -4.995 -0.359 1.00 0.00 O ATOM 813 CB ALA A 63 -12.551 -3.455 1.906 1.00 0.00 C ATOM 0 H ALA A 63 -14.609 -3.429 0.557 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.210 -1.903 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.526 -3.457 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.164 -2.814 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.946 -4.471 1.927 1.00 0.00 H new ATOM 819 N PRO A 64 -10.780 -3.112 -1.189 1.00 0.00 N ATOM 820 CA PRO A 64 -9.818 -3.794 -2.042 1.00 0.00 C ATOM 821 C PRO A 64 -8.559 -4.153 -1.252 1.00 0.00 C ATOM 822 O PRO A 64 -8.619 -4.317 -0.034 1.00 0.00 O ATOM 823 CB PRO A 64 -9.525 -2.759 -3.146 1.00 0.00 C ATOM 824 CG PRO A 64 -10.261 -1.510 -2.750 1.00 0.00 C ATOM 825 CD PRO A 64 -10.621 -1.663 -1.303 1.00 0.00 C ATOM 0 HA PRO A 64 -10.185 -4.738 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.455 -2.571 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.863 -3.119 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.638 -0.629 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.155 -1.378 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.840 -1.284 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.537 -1.129 -1.050 1.00 0.00 H new ATOM 833 N ILE A 65 -7.423 -4.271 -1.929 1.00 0.00 N ATOM 834 CA ILE A 65 -6.178 -4.609 -1.249 1.00 0.00 C ATOM 835 C ILE A 65 -5.485 -3.360 -0.721 1.00 0.00 C ATOM 836 O ILE A 65 -5.754 -2.251 -1.170 1.00 0.00 O ATOM 837 CB ILE A 65 -5.198 -5.359 -2.164 1.00 0.00 C ATOM 838 CG1 ILE A 65 -5.948 -6.243 -3.165 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.236 -6.190 -1.334 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.822 -7.292 -2.512 1.00 0.00 C ATOM 0 H ILE A 65 -7.337 -4.139 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.455 -5.262 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.627 -4.623 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.567 -5.611 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.225 -6.737 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.547 -6.716 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.673 -5.537 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.797 -6.914 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.322 -7.880 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.206 -7.948 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.569 -6.805 -1.886 1.00 0.00 H new ATOM 852 N CYS A 66 -4.575 -3.553 0.223 1.00 0.00 N ATOM 853 CA CYS A 66 -3.831 -2.445 0.806 1.00 0.00 C ATOM 854 C CYS A 66 -2.687 -2.953 1.672 1.00 0.00 C ATOM 855 O CYS A 66 -2.878 -3.815 2.529 1.00 0.00 O ATOM 856 CB CYS A 66 -4.756 -1.564 1.644 1.00 0.00 C ATOM 857 SG CYS A 66 -5.249 -0.011 0.830 1.00 0.00 S ATOM 0 H CYS A 66 -4.334 -4.469 0.602 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.416 -1.855 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.653 -2.131 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.259 -1.326 2.584 1.00 0.00 H new ATOM 862 N GLU A 67 -1.500 -2.403 1.453 1.00 0.00 N ATOM 863 CA GLU A 67 -0.326 -2.794 2.220 1.00 0.00 C ATOM 864 C GLU A 67 0.701 -1.668 2.243 1.00 0.00 C ATOM 865 O GLU A 67 0.519 -0.635 1.600 1.00 0.00 O ATOM 866 CB GLU A 67 0.301 -4.057 1.625 1.00 0.00 C ATOM 867 CG GLU A 67 0.941 -4.965 2.662 1.00 0.00 C ATOM 868 CD GLU A 67 2.364 -5.348 2.305 1.00 0.00 C ATOM 869 OE1 GLU A 67 2.581 -5.841 1.179 1.00 0.00 O ATOM 870 OE2 GLU A 67 3.261 -5.155 3.153 1.00 0.00 O ATOM 0 H GLU A 67 -1.325 -1.685 0.750 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.641 -3.001 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.466 -4.616 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.055 -3.768 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.936 -4.464 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.341 -5.869 2.767 1.00 0.00 H new ATOM 877 N SER A 68 1.778 -1.874 2.989 1.00 0.00 N ATOM 878 CA SER A 68 2.841 -0.884 3.078 1.00 0.00 C ATOM 879 C SER A 68 3.850 -1.090 1.956 1.00 0.00 C ATOM 880 O SER A 68 4.435 -2.165 1.826 1.00 0.00 O ATOM 881 CB SER A 68 3.537 -0.971 4.440 1.00 0.00 C ATOM 882 OG SER A 68 4.666 -1.827 4.387 1.00 0.00 O ATOM 0 H SER A 68 1.938 -2.717 3.540 1.00 0.00 H new ATOM 0 HA SER A 68 2.402 0.108 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.847 0.025 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.834 -1.338 5.187 1.00 0.00 H new ATOM 0 HG SER A 68 4.614 -2.388 3.585 1.00 0.00 H new ATOM 888 N VAL A 69 4.043 -0.056 1.138 1.00 0.00 N ATOM 889 CA VAL A 69 4.977 -0.123 0.015 1.00 0.00 C ATOM 890 C VAL A 69 6.271 -0.832 0.411 1.00 0.00 C ATOM 891 O VAL A 69 7.187 -0.219 0.959 1.00 0.00 O ATOM 892 CB VAL A 69 5.317 1.279 -0.512 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.581 2.224 0.642 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.210 1.810 -1.403 1.00 0.00 C ATOM 0 H VAL A 69 3.564 0.840 1.232 1.00 0.00 H new ATOM 0 HA VAL A 69 4.483 -0.692 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 69 6.222 1.208 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.821 3.214 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.693 2.286 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.419 1.853 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.477 2.804 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.075 1.141 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.281 1.867 -0.835 1.00 0.00 H new ATOM 904 N LYS A 70 6.325 -2.132 0.148 1.00 0.00 N ATOM 905 CA LYS A 70 7.479 -2.940 0.514 1.00 0.00 C ATOM 906 C LYS A 70 8.625 -2.775 -0.479 1.00 0.00 C ATOM 907 O LYS A 70 8.412 -2.718 -1.690 1.00 0.00 O ATOM 908 CB LYS A 70 7.077 -4.411 0.598 1.00 0.00 C ATOM 909 CG LYS A 70 6.715 -4.860 2.002 1.00 0.00 C ATOM 910 CD LYS A 70 7.773 -5.785 2.576 1.00 0.00 C ATOM 911 CE LYS A 70 7.268 -6.511 3.811 1.00 0.00 C ATOM 912 NZ LYS A 70 8.357 -6.757 4.796 1.00 0.00 N ATOM 0 H LYS A 70 5.580 -2.649 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 70 7.829 -2.596 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.227 -4.585 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.898 -5.026 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.602 -3.989 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.752 -5.371 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.070 -6.513 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.663 -5.209 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.480 -5.923 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.823 -7.462 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.948 -7.114 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.020 -7.460 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.864 -5.868 4.982 1.00 0.00 H new ATOM 926 N CYS A 71 9.843 -2.724 0.049 1.00 0.00 N ATOM 927 CA CYS A 71 11.039 -2.600 -0.776 1.00 0.00 C ATOM 928 C CYS A 71 11.916 -3.831 -0.608 1.00 0.00 C ATOM 929 O CYS A 71 12.338 -4.155 0.499 1.00 0.00 O ATOM 930 CB CYS A 71 11.849 -1.349 -0.408 1.00 0.00 C ATOM 931 SG CYS A 71 10.951 -0.089 0.563 1.00 0.00 S ATOM 0 H CYS A 71 10.028 -2.767 1.051 1.00 0.00 H new ATOM 0 HA CYS A 71 10.717 -2.510 -1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.728 -1.660 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.208 -0.886 -1.327 1.00 0.00 H new ATOM 936 N GLN A 72 12.199 -4.509 -1.709 1.00 0.00 N ATOM 937 CA GLN A 72 13.010 -5.713 -1.664 1.00 0.00 C ATOM 938 C GLN A 72 14.458 -5.382 -1.319 1.00 0.00 C ATOM 939 O GLN A 72 14.755 -4.288 -0.837 1.00 0.00 O ATOM 940 CB GLN A 72 12.928 -6.449 -3.002 1.00 0.00 C ATOM 941 CG GLN A 72 13.673 -5.759 -4.134 1.00 0.00 C ATOM 942 CD GLN A 72 12.750 -4.963 -5.036 1.00 0.00 C ATOM 943 OE1 GLN A 72 12.606 -3.675 -4.747 1.00 0.00 O flip ATOM 944 NE2 GLN A 72 12.171 -5.500 -5.981 1.00 0.00 N flip ATOM 0 H GLN A 72 11.880 -4.246 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 72 12.621 -6.364 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.329 -7.455 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.880 -6.556 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.429 -5.094 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.199 -6.507 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.311 -6.493 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.552 -4.952 -6.578 1.00 0.00 H new ATOM 953 N SER A 73 15.353 -6.335 -1.553 1.00 0.00 N ATOM 954 CA SER A 73 16.768 -6.143 -1.255 1.00 0.00 C ATOM 955 C SER A 73 17.268 -4.819 -1.827 1.00 0.00 C ATOM 956 O SER A 73 16.943 -4.464 -2.960 1.00 0.00 O ATOM 957 CB SER A 73 17.591 -7.300 -1.823 1.00 0.00 C ATOM 958 OG SER A 73 18.927 -6.902 -2.076 1.00 0.00 O ATOM 0 H SER A 73 15.125 -7.247 -1.948 1.00 0.00 H new ATOM 0 HA SER A 73 16.887 -6.119 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.584 -8.134 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.134 -7.656 -2.746 1.00 0.00 H new ATOM 0 HG SER A 73 19.432 -7.661 -2.437 1.00 0.00 H new ATOM 964 N PRO A 74 18.057 -4.059 -1.048 1.00 0.00 N ATOM 965 CA PRO A 74 18.591 -2.775 -1.500 1.00 0.00 C ATOM 966 C PRO A 74 19.450 -2.931 -2.754 1.00 0.00 C ATOM 967 O PRO A 74 19.967 -4.013 -3.032 1.00 0.00 O ATOM 968 CB PRO A 74 19.429 -2.274 -0.317 1.00 0.00 C ATOM 969 CG PRO A 74 18.977 -3.078 0.856 1.00 0.00 C ATOM 970 CD PRO A 74 18.503 -4.396 0.313 1.00 0.00 C ATOM 0 HA PRO A 74 17.799 -2.079 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.494 -2.414 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.272 -1.209 -0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.792 -3.221 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.176 -2.568 1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.302 -5.138 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.691 -4.810 0.912 1.00 0.00 H new ATOM 978 N PRO A 75 19.583 -1.856 -3.546 1.00 0.00 N ATOM 979 CA PRO A 75 20.350 -1.875 -4.795 1.00 0.00 C ATOM 980 C PRO A 75 21.689 -2.589 -4.667 1.00 0.00 C ATOM 981 O PRO A 75 22.172 -2.845 -3.565 1.00 0.00 O ATOM 982 CB PRO A 75 20.554 -0.393 -5.090 1.00 0.00 C ATOM 983 CG PRO A 75 19.346 0.264 -4.516 1.00 0.00 C ATOM 984 CD PRO A 75 18.982 -0.532 -3.291 1.00 0.00 C ATOM 0 HA PRO A 75 19.831 -2.422 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 75 21.468 -0.018 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 75 20.637 -0.208 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.552 1.303 -4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.527 0.270 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.382 -0.078 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.902 -0.600 -3.163 1.00 0.00 H new ATOM 992 N SER A 76 22.277 -2.920 -5.811 1.00 0.00 N ATOM 993 CA SER A 76 23.562 -3.600 -5.840 1.00 0.00 C ATOM 994 C SER A 76 24.635 -2.693 -6.429 1.00 0.00 C ATOM 995 O SER A 76 24.871 -2.696 -7.637 1.00 0.00 O ATOM 996 CB SER A 76 23.465 -4.890 -6.656 1.00 0.00 C ATOM 997 OG SER A 76 23.285 -4.612 -8.034 1.00 0.00 O ATOM 0 H SER A 76 21.882 -2.727 -6.731 1.00 0.00 H new ATOM 0 HA SER A 76 23.838 -3.850 -4.816 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.370 -5.481 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.633 -5.492 -6.292 1.00 0.00 H new ATOM 0 HG SER A 76 24.057 -4.111 -8.370 1.00 0.00 H new ATOM 1003 N ILE A 77 25.299 -1.935 -5.564 1.00 0.00 N ATOM 1004 CA ILE A 77 26.344 -1.019 -6.004 1.00 0.00 C ATOM 1005 C ILE A 77 27.560 -1.783 -6.509 1.00 0.00 C ATOM 1006 O ILE A 77 27.626 -3.008 -6.399 1.00 0.00 O ATOM 1007 CB ILE A 77 26.786 -0.069 -4.873 1.00 0.00 C ATOM 1008 CG1 ILE A 77 27.431 -0.852 -3.726 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.602 0.739 -4.370 1.00 0.00 C ATOM 1010 CD1 ILE A 77 28.343 -0.011 -2.859 1.00 0.00 C ATOM 0 H ILE A 77 25.133 -1.936 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 77 25.919 -0.427 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 77 27.531 0.619 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.646 -1.282 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 28.001 -1.684 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.929 1.405 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.190 1.329 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.837 0.064 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.765 -0.630 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 77 29.149 0.398 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.773 0.806 -2.416 1.00 0.00 H new ATOM 1022 N SER A 78 28.516 -1.056 -7.071 1.00 0.00 N ATOM 1023 CA SER A 78 29.725 -1.670 -7.602 1.00 0.00 C ATOM 1024 C SER A 78 30.834 -1.686 -6.560 1.00 0.00 C ATOM 1025 O SER A 78 31.089 -0.685 -5.889 1.00 0.00 O ATOM 1026 CB SER A 78 30.195 -0.928 -8.854 1.00 0.00 C ATOM 1027 OG SER A 78 29.114 -0.280 -9.501 1.00 0.00 O ATOM 0 H SER A 78 28.478 -0.042 -7.171 1.00 0.00 H new ATOM 0 HA SER A 78 29.488 -2.700 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 78 30.953 -0.193 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.665 -1.631 -9.542 1.00 0.00 H new ATOM 0 HG SER A 78 29.442 0.188 -10.297 1.00 0.00 H new ATOM 1033 N ASN A 79 31.487 -2.833 -6.430 1.00 0.00 N ATOM 1034 CA ASN A 79 32.574 -2.993 -5.474 1.00 0.00 C ATOM 1035 C ASN A 79 32.053 -2.904 -4.047 1.00 0.00 C ATOM 1036 O ASN A 79 32.778 -2.507 -3.135 1.00 0.00 O ATOM 1037 CB ASN A 79 33.662 -1.933 -5.692 1.00 0.00 C ATOM 1038 CG ASN A 79 33.737 -1.429 -7.117 1.00 0.00 C ATOM 1039 OD1 ASN A 79 33.479 -2.309 -8.068 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 34.017 -0.255 -7.357 1.00 0.00 N flip ATOM 0 H ASN A 79 31.282 -3.669 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 79 33.010 -3.979 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 79 33.476 -1.090 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 79 34.628 -2.353 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 79 34.209 0.390 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 79 34.057 0.073 -8.322 1.00 0.00 H new ATOM 1047 N GLY A 80 30.794 -3.277 -3.858 1.00 0.00 N ATOM 1048 CA GLY A 80 30.206 -3.224 -2.532 1.00 0.00 C ATOM 1049 C GLY A 80 28.930 -4.034 -2.412 1.00 0.00 C ATOM 1050 O GLY A 80 28.505 -4.690 -3.363 1.00 0.00 O ATOM 0 H GLY A 80 30.172 -3.613 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.931 -3.590 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.995 -2.186 -2.276 1.00 0.00 H new ATOM 1054 N ARG A 81 28.325 -3.988 -1.229 1.00 0.00 N ATOM 1055 CA ARG A 81 27.087 -4.709 -0.960 1.00 0.00 C ATOM 1056 C ARG A 81 26.268 -3.977 0.091 1.00 0.00 C ATOM 1057 O ARG A 81 26.642 -2.894 0.540 1.00 0.00 O ATOM 1058 CB ARG A 81 27.379 -6.134 -0.486 1.00 0.00 C ATOM 1059 CG ARG A 81 28.618 -6.254 0.388 1.00 0.00 C ATOM 1060 CD ARG A 81 29.180 -7.666 0.363 1.00 0.00 C ATOM 1061 NE ARG A 81 29.581 -8.120 1.692 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.706 -9.400 2.028 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.076 -9.732 3.258 1.00 0.00 N ATOM 1064 NH2 ARG A 81 29.463 -10.351 1.136 1.00 0.00 N ATOM 0 H ARG A 81 28.677 -3.453 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 81 26.517 -4.760 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.518 -6.505 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.498 -6.778 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.378 -5.552 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.370 -5.977 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.431 -8.347 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 81 30.039 -7.702 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 81 29.776 -7.415 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 81 30.265 -9.005 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.171 -10.715 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 81 29.179 -10.101 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 81 29.560 -11.332 1.397 1.00 0.00 H new ATOM 1078 N HIS A 82 25.156 -4.577 0.489 1.00 0.00 N ATOM 1079 CA HIS A 82 24.291 -3.970 1.492 1.00 0.00 C ATOM 1080 C HIS A 82 24.129 -4.870 2.709 1.00 0.00 C ATOM 1081 O HIS A 82 24.390 -6.070 2.650 1.00 0.00 O ATOM 1082 CB HIS A 82 22.923 -3.652 0.898 1.00 0.00 C ATOM 1083 CG HIS A 82 22.283 -4.816 0.207 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.040 -4.846 -1.150 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.838 -6.000 0.693 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.472 -5.995 -1.469 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.339 -6.712 -0.369 1.00 0.00 N ATOM 0 H HIS A 82 24.832 -5.478 0.136 1.00 0.00 H new ATOM 0 HA HIS A 82 24.766 -3.044 1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.263 -3.305 1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 82 23.026 -2.831 0.188 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.264 -4.097 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.870 -6.323 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.168 -6.296 -2.461 1.00 0.00 H new ATOM 1096 N ASN A 83 23.691 -4.272 3.811 1.00 0.00 N ATOM 1097 CA ASN A 83 23.488 -5.004 5.058 1.00 0.00 C ATOM 1098 C ASN A 83 22.049 -5.507 5.167 1.00 0.00 C ATOM 1099 O ASN A 83 21.277 -5.415 4.212 1.00 0.00 O ATOM 1100 CB ASN A 83 23.827 -4.110 6.255 1.00 0.00 C ATOM 1101 CG ASN A 83 25.303 -3.771 6.323 1.00 0.00 C ATOM 1102 OD1 ASN A 83 25.682 -2.974 7.316 1.00 0.00 O flip ATOM 1103 ND2 ASN A 83 26.095 -4.221 5.495 1.00 0.00 N flip ATOM 0 H ASN A 83 23.469 -3.278 3.867 1.00 0.00 H new ATOM 0 HA ASN A 83 24.153 -5.868 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.248 -3.189 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 83 23.529 -4.612 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 83 25.761 -4.830 4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 83 27.085 -3.985 5.556 1.00 0.00 H new ATOM 1110 N GLY A 84 21.692 -6.041 6.333 1.00 0.00 N ATOM 1111 CA GLY A 84 20.353 -6.567 6.528 1.00 0.00 C ATOM 1112 C GLY A 84 20.256 -8.022 6.131 1.00 0.00 C ATOM 1113 O GLY A 84 20.080 -8.897 6.979 1.00 0.00 O ATOM 0 H GLY A 84 22.306 -6.118 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.068 -6.456 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.644 -5.983 5.941 1.00 0.00 H new ATOM 1117 N TYR A 85 20.416 -8.268 4.838 1.00 0.00 N ATOM 1118 CA TYR A 85 20.363 -9.587 4.275 1.00 0.00 C ATOM 1119 C TYR A 85 18.968 -10.146 4.402 1.00 0.00 C ATOM 1120 O TYR A 85 18.768 -11.355 4.517 1.00 0.00 O ATOM 1121 CB TYR A 85 21.379 -10.479 4.954 1.00 0.00 C ATOM 1122 CG TYR A 85 22.787 -10.284 4.446 1.00 0.00 C ATOM 1123 CD1 TYR A 85 23.581 -11.368 4.093 1.00 0.00 C ATOM 1124 CD2 TYR A 85 23.324 -9.010 4.325 1.00 0.00 C ATOM 1125 CE1 TYR A 85 24.871 -11.185 3.631 1.00 0.00 C ATOM 1126 CE2 TYR A 85 24.610 -8.819 3.864 1.00 0.00 C ATOM 1127 CZ TYR A 85 25.381 -9.909 3.519 1.00 0.00 C ATOM 1128 OH TYR A 85 26.664 -9.722 3.059 1.00 0.00 O ATOM 0 H TYR A 85 20.589 -7.536 4.149 1.00 0.00 H new ATOM 0 HA TYR A 85 20.611 -9.540 3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 85 21.359 -10.288 6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 85 21.090 -11.520 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 85 23.184 -12.369 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 85 22.725 -8.153 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.476 -12.037 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 85 25.011 -7.820 3.774 1.00 0.00 H new ATOM 0 HH TYR A 85 26.868 -8.764 3.039 1.00 0.00 H new ATOM 1138 N GLU A 86 18.000 -9.243 4.373 1.00 0.00 N ATOM 1139 CA GLU A 86 16.618 -9.625 4.462 1.00 0.00 C ATOM 1140 C GLU A 86 16.070 -9.923 3.075 1.00 0.00 C ATOM 1141 O GLU A 86 16.816 -9.930 2.095 1.00 0.00 O ATOM 1142 CB GLU A 86 15.804 -8.517 5.128 1.00 0.00 C ATOM 1143 CG GLU A 86 15.526 -8.771 6.600 1.00 0.00 C ATOM 1144 CD GLU A 86 14.045 -8.884 6.904 1.00 0.00 C ATOM 1145 OE1 GLU A 86 13.630 -8.460 8.003 1.00 0.00 O ATOM 1146 OE2 GLU A 86 13.300 -9.399 6.043 1.00 0.00 O ATOM 0 H GLU A 86 18.157 -8.239 4.288 1.00 0.00 H new ATOM 0 HA GLU A 86 16.540 -10.525 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.338 -7.572 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.856 -8.406 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.027 -9.689 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.954 -7.961 7.191 1.00 0.00 H new ATOM 1153 N ASP A 87 14.772 -10.159 2.988 1.00 0.00 N ATOM 1154 CA ASP A 87 14.144 -10.432 1.705 1.00 0.00 C ATOM 1155 C ASP A 87 13.252 -9.275 1.283 1.00 0.00 C ATOM 1156 O ASP A 87 12.989 -9.081 0.096 1.00 0.00 O ATOM 1157 CB ASP A 87 13.330 -11.726 1.767 1.00 0.00 C ATOM 1158 CG ASP A 87 14.157 -12.947 1.416 1.00 0.00 C ATOM 1159 OD1 ASP A 87 13.716 -13.735 0.553 1.00 0.00 O ATOM 1160 OD2 ASP A 87 15.246 -13.115 2.005 1.00 0.00 O ATOM 0 H ASP A 87 14.135 -10.167 3.785 1.00 0.00 H new ATOM 0 HA ASP A 87 14.934 -10.550 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.918 -11.845 2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.485 -11.654 1.082 1.00 0.00 H new ATOM 1165 N PHE A 88 12.807 -8.495 2.258 1.00 0.00 N ATOM 1166 CA PHE A 88 11.945 -7.364 1.986 1.00 0.00 C ATOM 1167 C PHE A 88 12.083 -6.294 3.061 1.00 0.00 C ATOM 1168 O PHE A 88 12.564 -6.558 4.163 1.00 0.00 O ATOM 1169 CB PHE A 88 10.496 -7.827 1.901 1.00 0.00 C ATOM 1170 CG PHE A 88 10.071 -8.194 0.514 1.00 0.00 C ATOM 1171 CD1 PHE A 88 9.603 -7.225 -0.355 1.00 0.00 C ATOM 1172 CD2 PHE A 88 10.149 -9.504 0.075 1.00 0.00 C ATOM 1173 CE1 PHE A 88 9.215 -7.555 -1.636 1.00 0.00 C ATOM 1174 CE2 PHE A 88 9.762 -9.842 -1.206 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.294 -8.866 -2.064 1.00 0.00 C ATOM 0 H PHE A 88 13.031 -8.629 3.244 1.00 0.00 H new ATOM 0 HA PHE A 88 12.246 -6.929 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.358 -8.688 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.847 -7.035 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.541 -6.198 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.517 -10.270 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.850 -6.789 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.825 -10.868 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.991 -9.127 -3.067 1.00 0.00 H new ATOM 1185 N TYR A 89 11.652 -5.086 2.726 1.00 0.00 N ATOM 1186 CA TYR A 89 11.704 -3.962 3.650 1.00 0.00 C ATOM 1187 C TYR A 89 10.451 -3.109 3.496 1.00 0.00 C ATOM 1188 O TYR A 89 9.719 -3.245 2.517 1.00 0.00 O ATOM 1189 CB TYR A 89 12.963 -3.126 3.403 1.00 0.00 C ATOM 1190 CG TYR A 89 14.249 -3.893 3.630 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.061 -3.611 4.720 1.00 0.00 C ATOM 1192 CD2 TYR A 89 14.644 -4.905 2.761 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.235 -4.310 4.936 1.00 0.00 C ATOM 1194 CE2 TYR A 89 15.819 -5.610 2.971 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.608 -5.307 4.060 1.00 0.00 C ATOM 1196 OH TYR A 89 17.775 -6.004 4.273 1.00 0.00 O ATOM 0 H TYR A 89 11.259 -4.858 1.813 1.00 0.00 H new ATOM 0 HA TYR A 89 11.745 -4.342 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.947 -2.753 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.947 -2.256 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.771 -2.833 5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.025 -5.145 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.857 -4.076 5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.114 -6.391 2.286 1.00 0.00 H new ATOM 0 HH TYR A 89 18.302 -6.019 3.447 1.00 0.00 H new ATOM 1206 N THR A 90 10.182 -2.258 4.478 1.00 0.00 N ATOM 1207 CA THR A 90 8.980 -1.433 4.446 1.00 0.00 C ATOM 1208 C THR A 90 9.308 0.053 4.530 1.00 0.00 C ATOM 1209 O THR A 90 10.425 0.438 4.876 1.00 0.00 O ATOM 1210 CB THR A 90 8.046 -1.826 5.591 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.780 -2.044 6.783 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.250 -3.080 5.303 1.00 0.00 C ATOM 0 H THR A 90 10.772 -2.121 5.298 1.00 0.00 H new ATOM 0 HA THR A 90 8.484 -1.609 3.491 1.00 0.00 H new ATOM 0 HB THR A 90 7.353 -0.992 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.165 -2.293 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.607 -3.306 6.153 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.637 -2.926 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.932 -3.913 5.133 1.00 0.00 H new ATOM 1220 N ASP A 91 8.318 0.881 4.211 1.00 0.00 N ATOM 1221 CA ASP A 91 8.480 2.325 4.249 1.00 0.00 C ATOM 1222 C ASP A 91 8.925 2.778 5.625 1.00 0.00 C ATOM 1223 O ASP A 91 8.120 2.920 6.546 1.00 0.00 O ATOM 1224 CB ASP A 91 7.176 3.023 3.865 1.00 0.00 C ATOM 1225 CG ASP A 91 5.994 2.525 4.672 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.565 3.243 5.600 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.499 1.417 4.378 1.00 0.00 O ATOM 0 H ASP A 91 7.390 0.571 3.922 1.00 0.00 H new ATOM 0 HA ASP A 91 9.249 2.597 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.286 4.098 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.981 2.864 2.804 1.00 0.00 H new ATOM 1232 N GLY A 92 10.220 2.991 5.752 1.00 0.00 N ATOM 1233 CA GLY A 92 10.783 3.436 7.008 1.00 0.00 C ATOM 1234 C GLY A 92 11.948 2.581 7.474 1.00 0.00 C ATOM 1235 O GLY A 92 12.378 2.689 8.622 1.00 0.00 O ATOM 0 H GLY A 92 10.899 2.863 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.116 4.469 6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.005 3.427 7.772 1.00 0.00 H new ATOM 1239 N SER A 93 12.462 1.728 6.590 1.00 0.00 N ATOM 1240 CA SER A 93 13.591 0.875 6.930 1.00 0.00 C ATOM 1241 C SER A 93 14.887 1.477 6.407 1.00 0.00 C ATOM 1242 O SER A 93 14.873 2.344 5.533 1.00 0.00 O ATOM 1243 CB SER A 93 13.397 -0.530 6.353 1.00 0.00 C ATOM 1244 OG SER A 93 12.024 -0.880 6.313 1.00 0.00 O ATOM 0 H SER A 93 12.114 1.612 5.638 1.00 0.00 H new ATOM 0 HA SER A 93 13.649 0.802 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.816 -0.575 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.943 -1.254 6.959 1.00 0.00 H new ATOM 0 HG SER A 93 11.614 -0.506 5.505 1.00 0.00 H new ATOM 1250 N VAL A 94 16.005 1.024 6.954 1.00 0.00 N ATOM 1251 CA VAL A 94 17.308 1.521 6.542 1.00 0.00 C ATOM 1252 C VAL A 94 18.329 0.391 6.500 1.00 0.00 C ATOM 1253 O VAL A 94 18.265 -0.554 7.287 1.00 0.00 O ATOM 1254 CB VAL A 94 17.803 2.645 7.481 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.903 3.863 7.361 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.249 3.023 7.181 1.00 0.00 C ATOM 0 H VAL A 94 16.036 0.313 7.685 1.00 0.00 H new ATOM 0 HA VAL A 94 17.199 1.935 5.540 1.00 0.00 H new ATOM 0 HB VAL A 94 17.761 2.271 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.262 4.648 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.916 4.225 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.884 3.591 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.566 3.816 7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.889 2.151 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.328 3.373 6.152 1.00 0.00 H new ATOM 1266 N VAL A 95 19.271 0.503 5.574 1.00 0.00 N ATOM 1267 CA VAL A 95 20.318 -0.495 5.422 1.00 0.00 C ATOM 1268 C VAL A 95 21.666 0.174 5.206 1.00 0.00 C ATOM 1269 O VAL A 95 21.743 1.284 4.679 1.00 0.00 O ATOM 1270 CB VAL A 95 20.029 -1.437 4.243 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.076 -2.532 4.156 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.641 -2.036 4.371 1.00 0.00 C ATOM 0 H VAL A 95 19.331 1.279 4.915 1.00 0.00 H new ATOM 0 HA VAL A 95 20.342 -1.081 6.341 1.00 0.00 H new ATOM 0 HB VAL A 95 20.072 -0.854 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.850 -3.186 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.060 -2.084 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.072 -3.113 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.452 -2.701 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.573 -2.601 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.899 -1.237 4.376 1.00 0.00 H new ATOM 1282 N THR A 96 22.725 -0.500 5.626 1.00 0.00 N ATOM 1283 CA THR A 96 24.068 0.037 5.485 1.00 0.00 C ATOM 1284 C THR A 96 24.844 -0.712 4.413 1.00 0.00 C ATOM 1285 O THR A 96 24.898 -1.942 4.411 1.00 0.00 O ATOM 1286 CB THR A 96 24.810 -0.031 6.819 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.155 -0.915 7.712 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.926 1.313 7.503 1.00 0.00 C ATOM 0 H THR A 96 22.680 -1.419 6.067 1.00 0.00 H new ATOM 0 HA THR A 96 23.985 1.080 5.180 1.00 0.00 H new ATOM 0 HB THR A 96 25.812 -0.387 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.708 -1.713 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.463 1.197 8.445 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.469 2.004 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.929 1.708 7.700 1.00 0.00 H new ATOM 1296 N TYR A 97 25.433 0.043 3.496 1.00 0.00 N ATOM 1297 CA TYR A 97 26.200 -0.540 2.406 1.00 0.00 C ATOM 1298 C TYR A 97 27.673 -0.639 2.766 1.00 0.00 C ATOM 1299 O TYR A 97 28.168 0.101 3.616 1.00 0.00 O ATOM 1300 CB TYR A 97 26.025 0.288 1.138 1.00 0.00 C ATOM 1301 CG TYR A 97 24.826 -0.109 0.311 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.965 -0.449 -1.027 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.553 -0.128 0.866 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.868 -0.803 -1.789 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.454 -0.484 0.112 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.615 -0.818 -1.214 1.00 0.00 C ATOM 1307 OH TYR A 97 21.518 -1.166 -1.967 1.00 0.00 O ATOM 0 H TYR A 97 25.394 1.062 3.486 1.00 0.00 H new ATOM 0 HA TYR A 97 25.825 -1.548 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.934 1.339 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.923 0.194 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.945 -0.437 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.421 0.140 1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.991 -1.066 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.471 -0.501 0.560 1.00 0.00 H new ATOM 0 HH TYR A 97 21.672 -2.039 -2.385 1.00 0.00 H new ATOM 1317 N SER A 98 28.367 -1.564 2.119 1.00 0.00 N ATOM 1318 CA SER A 98 29.786 -1.770 2.384 1.00 0.00 C ATOM 1319 C SER A 98 30.521 -2.254 1.139 1.00 0.00 C ATOM 1320 O SER A 98 30.022 -3.105 0.405 1.00 0.00 O ATOM 1321 CB SER A 98 29.967 -2.776 3.527 1.00 0.00 C ATOM 1322 OG SER A 98 30.214 -4.084 3.034 1.00 0.00 O ATOM 0 H SER A 98 27.974 -2.182 1.409 1.00 0.00 H new ATOM 0 HA SER A 98 30.216 -0.812 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.796 -2.462 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.073 -2.784 4.151 1.00 0.00 H new ATOM 0 HG SER A 98 30.326 -4.701 3.787 1.00 0.00 H new ATOM 1328 N CYS A 99 31.723 -1.729 0.924 1.00 0.00 N ATOM 1329 CA CYS A 99 32.532 -2.123 -0.221 1.00 0.00 C ATOM 1330 C CYS A 99 33.030 -3.555 -0.061 1.00 0.00 C ATOM 1331 O CYS A 99 33.183 -4.047 1.057 1.00 0.00 O ATOM 1332 CB CYS A 99 33.719 -1.173 -0.383 1.00 0.00 C ATOM 1333 SG CYS A 99 33.257 0.588 -0.456 1.00 0.00 S ATOM 0 H CYS A 99 32.157 -1.031 1.528 1.00 0.00 H new ATOM 0 HA CYS A 99 31.909 -2.069 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.407 -1.323 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.258 -1.434 -1.294 1.00 0.00 H new ATOM 1338 N ASN A 100 33.276 -4.222 -1.184 1.00 0.00 N ATOM 1339 CA ASN A 100 33.743 -5.601 -1.165 1.00 0.00 C ATOM 1340 C ASN A 100 35.267 -5.669 -1.200 1.00 0.00 C ATOM 1341 O ASN A 100 35.904 -6.035 -0.211 1.00 0.00 O ATOM 1342 CB ASN A 100 33.157 -6.367 -2.352 1.00 0.00 C ATOM 1343 CG ASN A 100 31.671 -6.124 -2.520 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.916 -6.122 -1.547 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.244 -5.914 -3.758 1.00 0.00 N ATOM 0 H ASN A 100 33.159 -3.829 -2.118 1.00 0.00 H new ATOM 0 HA ASN A 100 33.406 -6.061 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.676 -6.071 -3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 100 33.335 -7.434 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.254 -5.742 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.906 -5.925 -4.534 1.00 0.00 H new ATOM 1352 N SER A 101 35.848 -5.321 -2.344 1.00 0.00 N ATOM 1353 CA SER A 101 37.297 -5.350 -2.507 1.00 0.00 C ATOM 1354 C SER A 101 37.988 -4.508 -1.439 1.00 0.00 C ATOM 1355 O SER A 101 39.159 -4.723 -1.127 1.00 0.00 O ATOM 1356 CB SER A 101 37.684 -4.842 -3.897 1.00 0.00 C ATOM 1357 OG SER A 101 37.353 -5.789 -4.897 1.00 0.00 O ATOM 0 H SER A 101 35.337 -5.015 -3.172 1.00 0.00 H new ATOM 0 HA SER A 101 37.626 -6.383 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 101 37.172 -3.901 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 101 38.754 -4.636 -3.927 1.00 0.00 H new ATOM 0 HG SER A 101 37.609 -5.439 -5.776 1.00 0.00 H new ATOM 1363 N GLY A 102 37.256 -3.548 -0.882 1.00 0.00 N ATOM 1364 CA GLY A 102 37.819 -2.687 0.140 1.00 0.00 C ATOM 1365 C GLY A 102 37.827 -1.229 -0.275 1.00 0.00 C ATOM 1366 O GLY A 102 38.705 -0.466 0.129 1.00 0.00 O ATOM 0 H GLY A 102 36.284 -3.352 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 102 37.246 -2.797 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.838 -3.006 0.359 1.00 0.00 H new ATOM 1370 N TYR A 103 36.850 -0.844 -1.088 1.00 0.00 N ATOM 1371 CA TYR A 103 36.741 0.525 -1.561 1.00 0.00 C ATOM 1372 C TYR A 103 36.306 1.453 -0.434 1.00 0.00 C ATOM 1373 O TYR A 103 36.224 1.045 0.724 1.00 0.00 O ATOM 1374 CB TYR A 103 35.748 0.598 -2.723 1.00 0.00 C ATOM 1375 CG TYR A 103 36.376 0.322 -4.070 1.00 0.00 C ATOM 1376 CD1 TYR A 103 36.412 -0.965 -4.589 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.944 1.346 -4.817 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.986 -1.222 -5.820 1.00 0.00 C ATOM 1379 CE2 TYR A 103 37.520 1.098 -6.047 1.00 0.00 C ATOM 1380 CZ TYR A 103 37.541 -0.188 -6.544 1.00 0.00 C ATOM 1381 OH TYR A 103 38.115 -0.440 -7.768 1.00 0.00 O ATOM 0 H TYR A 103 36.120 -1.467 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 103 37.721 0.851 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.946 -0.120 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 103 35.292 1.588 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 103 35.985 -1.779 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.935 2.354 -4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 103 37.000 -2.228 -6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.952 1.907 -6.617 1.00 0.00 H new ATOM 0 HH TYR A 103 38.458 0.396 -8.147 1.00 0.00 H new ATOM 1391 N SER A 104 36.036 2.704 -0.779 1.00 0.00 N ATOM 1392 CA SER A 104 35.623 3.693 0.206 1.00 0.00 C ATOM 1393 C SER A 104 34.177 4.122 -0.013 1.00 0.00 C ATOM 1394 O SER A 104 33.881 4.913 -0.910 1.00 0.00 O ATOM 1395 CB SER A 104 36.543 4.914 0.147 1.00 0.00 C ATOM 1396 OG SER A 104 37.864 4.542 -0.206 1.00 0.00 O ATOM 0 H SER A 104 36.096 3.058 -1.734 1.00 0.00 H new ATOM 0 HA SER A 104 35.696 3.234 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 104 36.157 5.629 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.550 5.415 1.115 1.00 0.00 H new ATOM 0 HG SER A 104 37.904 4.347 -1.166 1.00 0.00 H new ATOM 1402 N LEU A 105 33.283 3.613 0.832 1.00 0.00 N ATOM 1403 CA LEU A 105 31.866 3.941 0.762 1.00 0.00 C ATOM 1404 C LEU A 105 31.651 5.428 0.514 1.00 0.00 C ATOM 1405 O LEU A 105 32.018 6.268 1.336 1.00 0.00 O ATOM 1406 CB LEU A 105 31.178 3.530 2.061 1.00 0.00 C ATOM 1407 CG LEU A 105 29.929 2.669 1.888 1.00 0.00 C ATOM 1408 CD1 LEU A 105 30.207 1.490 0.969 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.778 3.504 1.354 1.00 0.00 C ATOM 0 H LEU A 105 33.522 2.964 1.581 1.00 0.00 H new ATOM 0 HA LEU A 105 31.433 3.393 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.894 2.985 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.906 4.431 2.611 1.00 0.00 H new ATOM 0 HG LEU A 105 29.647 2.277 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.302 0.891 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.518 1.857 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 105 31.000 0.876 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.896 2.875 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.558 4.310 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 105 29.053 3.927 0.388 1.00 0.00 H new ATOM 1421 N ILE A 106 31.067 5.741 -0.630 1.00 0.00 N ATOM 1422 CA ILE A 106 30.790 7.117 -0.996 1.00 0.00 C ATOM 1423 C ILE A 106 29.401 7.519 -0.523 1.00 0.00 C ATOM 1424 O ILE A 106 28.523 6.672 -0.370 1.00 0.00 O ATOM 1425 CB ILE A 106 30.896 7.306 -2.517 1.00 0.00 C ATOM 1426 CG1 ILE A 106 32.312 6.982 -2.984 1.00 0.00 C ATOM 1427 CG2 ILE A 106 30.509 8.721 -2.917 1.00 0.00 C ATOM 1428 CD1 ILE A 106 33.375 7.834 -2.326 1.00 0.00 C ATOM 0 H ILE A 106 30.774 5.054 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 106 31.531 7.754 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 106 30.200 6.621 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.522 5.932 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 106 32.369 7.115 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 106 30.592 8.829 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.482 8.918 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 106 31.175 9.432 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 106 34.356 7.549 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 106 33.190 8.884 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 106 33.346 7.683 -1.247 1.00 0.00 H new ATOM 1440 N GLY A 107 29.207 8.810 -0.288 1.00 0.00 N ATOM 1441 CA GLY A 107 27.926 9.274 0.205 1.00 0.00 C ATOM 1442 C GLY A 107 27.641 8.744 1.591 1.00 0.00 C ATOM 1443 O GLY A 107 28.429 8.946 2.516 1.00 0.00 O ATOM 0 H GLY A 107 29.907 9.538 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 107 27.914 10.364 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.136 8.957 -0.476 1.00 0.00 H new ATOM 1447 N ASN A 108 26.535 8.032 1.727 1.00 0.00 N ATOM 1448 CA ASN A 108 26.162 7.443 3.007 1.00 0.00 C ATOM 1449 C ASN A 108 25.657 6.017 2.831 1.00 0.00 C ATOM 1450 O ASN A 108 24.672 5.774 2.136 1.00 0.00 O ATOM 1451 CB ASN A 108 25.092 8.283 3.693 1.00 0.00 C ATOM 1452 CG ASN A 108 25.391 9.765 3.619 1.00 0.00 C ATOM 1453 OD1 ASN A 108 26.601 10.140 4.018 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 24.550 10.562 3.205 1.00 0.00 N flip ATOM 0 H ASN A 108 25.878 7.847 0.969 1.00 0.00 H new ATOM 0 HA ASN A 108 27.055 7.421 3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.126 8.086 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 108 25.011 7.982 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 108 23.633 10.228 2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 108 24.770 11.557 3.158 1.00 0.00 H new ATOM 1461 N SER A 109 26.336 5.087 3.486 1.00 0.00 N ATOM 1462 CA SER A 109 25.974 3.678 3.435 1.00 0.00 C ATOM 1463 C SER A 109 24.497 3.483 3.755 1.00 0.00 C ATOM 1464 O SER A 109 23.876 2.514 3.318 1.00 0.00 O ATOM 1465 CB SER A 109 26.835 2.895 4.425 1.00 0.00 C ATOM 1466 OG SER A 109 26.201 2.788 5.686 1.00 0.00 O ATOM 0 H SER A 109 27.151 5.287 4.066 1.00 0.00 H new ATOM 0 HA SER A 109 26.152 3.308 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.033 1.899 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.800 3.389 4.541 1.00 0.00 H new ATOM 0 HG SER A 109 26.842 3.008 6.394 1.00 0.00 H new ATOM 1472 N GLY A 110 23.946 4.413 4.520 1.00 0.00 N ATOM 1473 CA GLY A 110 22.551 4.330 4.904 1.00 0.00 C ATOM 1474 C GLY A 110 21.606 4.510 3.732 1.00 0.00 C ATOM 1475 O GLY A 110 21.602 5.555 3.082 1.00 0.00 O ATOM 0 H GLY A 110 24.442 5.227 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.364 3.362 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.340 5.091 5.655 1.00 0.00 H new ATOM 1479 N VAL A 111 20.801 3.487 3.465 1.00 0.00 N ATOM 1480 CA VAL A 111 19.823 3.534 2.381 1.00 0.00 C ATOM 1481 C VAL A 111 18.411 3.508 2.953 1.00 0.00 C ATOM 1482 O VAL A 111 18.023 2.552 3.621 1.00 0.00 O ATOM 1483 CB VAL A 111 20.000 2.363 1.397 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.357 2.674 0.050 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.473 2.025 1.224 1.00 0.00 C ATOM 0 H VAL A 111 20.806 2.611 3.987 1.00 0.00 H new ATOM 0 HA VAL A 111 19.986 4.462 1.833 1.00 0.00 H new ATOM 0 HB VAL A 111 19.494 1.493 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.498 1.829 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.291 2.854 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.822 3.562 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.576 1.195 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 111 22.003 2.895 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.897 1.743 2.188 1.00 0.00 H new ATOM 1495 N LEU A 112 17.665 4.585 2.736 1.00 0.00 N ATOM 1496 CA LEU A 112 16.318 4.696 3.284 1.00 0.00 C ATOM 1497 C LEU A 112 15.300 3.932 2.445 1.00 0.00 C ATOM 1498 O LEU A 112 15.090 4.236 1.271 1.00 0.00 O ATOM 1499 CB LEU A 112 15.907 6.170 3.390 1.00 0.00 C ATOM 1500 CG LEU A 112 14.415 6.416 3.651 1.00 0.00 C ATOM 1501 CD1 LEU A 112 14.106 7.904 3.638 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.997 5.793 4.974 1.00 0.00 C ATOM 0 H LEU A 112 17.968 5.390 2.188 1.00 0.00 H new ATOM 0 HA LEU A 112 16.332 4.251 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.481 6.634 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 112 16.186 6.676 2.465 1.00 0.00 H new ATOM 0 HG LEU A 112 13.844 5.943 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.043 8.057 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.686 8.403 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 112 14.367 8.321 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.936 5.977 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.179 4.719 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.576 6.236 5.784 1.00 0.00 H new ATOM 1514 N CYS A 113 14.641 2.966 3.074 1.00 0.00 N ATOM 1515 CA CYS A 113 13.590 2.205 2.418 1.00 0.00 C ATOM 1516 C CYS A 113 12.253 2.903 2.624 1.00 0.00 C ATOM 1517 O CYS A 113 11.611 2.737 3.662 1.00 0.00 O ATOM 1518 CB CYS A 113 13.528 0.787 2.982 1.00 0.00 C ATOM 1519 SG CYS A 113 12.080 -0.177 2.439 1.00 0.00 S ATOM 0 H CYS A 113 14.818 2.692 4.040 1.00 0.00 H new ATOM 0 HA CYS A 113 13.809 2.145 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.433 0.254 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.525 0.842 4.071 1.00 0.00 H new ATOM 1524 N SER A 114 11.864 3.720 1.656 1.00 0.00 N ATOM 1525 CA SER A 114 10.624 4.480 1.748 1.00 0.00 C ATOM 1526 C SER A 114 9.852 4.442 0.435 1.00 0.00 C ATOM 1527 O SER A 114 10.417 4.168 -0.624 1.00 0.00 O ATOM 1528 CB SER A 114 10.923 5.930 2.136 1.00 0.00 C ATOM 1529 OG SER A 114 10.391 6.237 3.413 1.00 0.00 O ATOM 0 H SER A 114 12.390 3.874 0.796 1.00 0.00 H new ATOM 0 HA SER A 114 10.005 4.020 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.001 6.094 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.500 6.604 1.391 1.00 0.00 H new ATOM 0 HG SER A 114 10.597 7.168 3.638 1.00 0.00 H new ATOM 1535 N GLY A 115 8.555 4.720 0.516 1.00 0.00 N ATOM 1536 CA GLY A 115 7.713 4.719 -0.668 1.00 0.00 C ATOM 1537 C GLY A 115 7.930 3.496 -1.540 1.00 0.00 C ATOM 1538 O GLY A 115 7.755 3.557 -2.758 1.00 0.00 O ATOM 0 H GLY A 115 8.070 4.947 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.667 4.763 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.914 5.617 -1.252 1.00 0.00 H new ATOM 1542 N GLY A 116 8.310 2.385 -0.919 1.00 0.00 N ATOM 1543 CA GLY A 116 8.555 1.167 -1.666 1.00 0.00 C ATOM 1544 C GLY A 116 9.802 1.258 -2.518 1.00 0.00 C ATOM 1545 O GLY A 116 9.961 0.511 -3.484 1.00 0.00 O ATOM 0 H GLY A 116 8.453 2.307 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.651 0.331 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.697 0.955 -2.303 1.00 0.00 H new ATOM 1549 N GLU A 117 10.688 2.180 -2.160 1.00 0.00 N ATOM 1550 CA GLU A 117 11.935 2.364 -2.882 1.00 0.00 C ATOM 1551 C GLU A 117 13.062 2.700 -1.916 1.00 0.00 C ATOM 1552 O GLU A 117 12.826 2.952 -0.734 1.00 0.00 O ATOM 1553 CB GLU A 117 11.794 3.475 -3.924 1.00 0.00 C ATOM 1554 CG GLU A 117 11.019 3.054 -5.162 1.00 0.00 C ATOM 1555 CD GLU A 117 11.843 3.163 -6.430 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.484 2.161 -6.809 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.847 4.251 -7.044 1.00 0.00 O ATOM 0 H GLU A 117 10.562 2.813 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 117 12.174 1.432 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.295 4.329 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.787 3.809 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.679 2.025 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.128 3.675 -5.257 1.00 0.00 H new ATOM 1564 N TRP A 118 14.283 2.707 -2.425 1.00 0.00 N ATOM 1565 CA TRP A 118 15.449 2.995 -1.607 1.00 0.00 C ATOM 1566 C TRP A 118 16.089 4.318 -2.001 1.00 0.00 C ATOM 1567 O TRP A 118 16.447 4.514 -3.162 1.00 0.00 O ATOM 1568 CB TRP A 118 16.488 1.890 -1.778 1.00 0.00 C ATOM 1569 CG TRP A 118 16.099 0.576 -1.180 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.537 -0.482 -1.830 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.300 0.158 0.173 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.353 -1.526 -0.958 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.814 -1.158 0.278 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.831 0.773 1.309 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.842 -1.869 1.474 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.860 0.066 2.496 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.368 -1.244 2.570 1.00 0.00 C ATOM 0 H TRP A 118 14.493 2.516 -3.405 1.00 0.00 H new ATOM 0 HA TRP A 118 15.117 3.053 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.678 1.749 -2.842 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.425 2.217 -1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.275 -0.497 -2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.940 -2.429 -1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.212 1.782 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.462 -2.878 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.269 0.531 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.405 -1.771 3.512 1.00 0.00 H new ATOM 1588 N SER A 119 16.284 5.207 -1.032 1.00 0.00 N ATOM 1589 CA SER A 119 16.992 6.446 -1.311 1.00 0.00 C ATOM 1590 C SER A 119 18.464 6.266 -1.007 1.00 0.00 C ATOM 1591 O SER A 119 18.834 5.821 0.079 1.00 0.00 O ATOM 1592 CB SER A 119 16.447 7.631 -0.544 1.00 0.00 C ATOM 1593 OG SER A 119 15.543 7.229 0.469 1.00 0.00 O ATOM 0 H SER A 119 15.969 5.095 -0.068 1.00 0.00 H new ATOM 0 HA SER A 119 16.845 6.667 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.272 8.185 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.944 8.310 -1.233 1.00 0.00 H new ATOM 0 HG SER A 119 14.791 7.856 0.504 1.00 0.00 H new ATOM 1599 N ASP A 120 19.261 6.694 -1.980 1.00 0.00 N ATOM 1600 CA ASP A 120 20.673 6.421 -2.099 1.00 0.00 C ATOM 1601 C ASP A 120 20.671 5.502 -3.252 1.00 0.00 C ATOM 1602 O ASP A 120 19.834 5.744 -4.140 1.00 0.00 O ATOM 1603 CB ASP A 120 21.290 5.894 -0.809 1.00 0.00 C ATOM 1604 CG ASP A 120 21.236 6.916 0.312 1.00 0.00 C ATOM 1605 OD1 ASP A 120 22.155 6.916 1.158 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.288 7.729 0.333 1.00 0.00 O ATOM 0 H ASP A 120 18.912 7.272 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 120 21.312 7.288 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 120 20.765 4.990 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.327 5.613 -0.993 1.00 0.00 H new ATOM 1611 N PRO A 121 21.360 4.393 -3.335 1.00 0.00 N ATOM 1612 CA PRO A 121 22.479 3.895 -2.515 1.00 0.00 C ATOM 1613 C PRO A 121 23.742 4.746 -2.633 1.00 0.00 C ATOM 1614 O PRO A 121 23.800 5.691 -3.420 1.00 0.00 O ATOM 1615 CB PRO A 121 22.756 2.554 -3.184 1.00 0.00 C ATOM 1616 CG PRO A 121 22.451 2.857 -4.605 1.00 0.00 C ATOM 1617 CD PRO A 121 21.203 3.660 -4.528 1.00 0.00 C ATOM 0 HA PRO A 121 22.232 3.880 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 121 23.789 2.234 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 121 22.121 1.761 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 121 23.259 3.415 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 121 22.308 1.947 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 121 21.093 4.316 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 121 20.318 3.025 -4.496 1.00 0.00 H new ATOM 1625 N PRO A 122 24.799 4.359 -1.899 1.00 0.00 N ATOM 1626 CA PRO A 122 26.096 5.014 -1.945 1.00 0.00 C ATOM 1627 C PRO A 122 26.991 4.401 -3.009 1.00 0.00 C ATOM 1628 O PRO A 122 26.569 3.517 -3.755 1.00 0.00 O ATOM 1629 CB PRO A 122 26.676 4.745 -0.549 1.00 0.00 C ATOM 1630 CG PRO A 122 25.814 3.680 0.069 1.00 0.00 C ATOM 1631 CD PRO A 122 24.824 3.232 -0.970 1.00 0.00 C ATOM 0 HA PRO A 122 26.019 6.073 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.713 4.415 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.668 5.651 0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.424 2.841 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.298 4.068 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 122 25.140 2.311 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.842 3.042 -0.538 1.00 0.00 H new ATOM 1639 N THR A 123 28.231 4.857 -3.061 1.00 0.00 N ATOM 1640 CA THR A 123 29.189 4.331 -4.026 1.00 0.00 C ATOM 1641 C THR A 123 30.410 3.756 -3.319 1.00 0.00 C ATOM 1642 O THR A 123 30.484 3.753 -2.091 1.00 0.00 O ATOM 1643 CB THR A 123 29.616 5.422 -5.008 1.00 0.00 C ATOM 1644 OG1 THR A 123 28.924 6.631 -4.749 1.00 0.00 O ATOM 1645 CG2 THR A 123 29.368 5.052 -6.454 1.00 0.00 C ATOM 0 H THR A 123 28.599 5.587 -2.451 1.00 0.00 H new ATOM 0 HA THR A 123 28.702 3.530 -4.582 1.00 0.00 H new ATOM 0 HB THR A 123 30.689 5.543 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 123 29.213 7.316 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.693 5.868 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.928 4.150 -6.700 1.00 0.00 H new ATOM 0 HG23 THR A 123 28.304 4.871 -6.606 1.00 0.00 H new ATOM 1653 N CYS A 124 31.359 3.255 -4.100 1.00 0.00 N ATOM 1654 CA CYS A 124 32.576 2.677 -3.547 1.00 0.00 C ATOM 1655 C CYS A 124 33.787 3.067 -4.384 1.00 0.00 C ATOM 1656 O CYS A 124 34.097 2.422 -5.386 1.00 0.00 O ATOM 1657 CB CYS A 124 32.456 1.153 -3.470 1.00 0.00 C ATOM 1658 SG CYS A 124 31.665 0.547 -1.946 1.00 0.00 S ATOM 0 H CYS A 124 31.309 3.238 -5.119 1.00 0.00 H new ATOM 0 HA CYS A 124 32.712 3.070 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 124 31.884 0.800 -4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 124 33.452 0.716 -3.549 1.00 0.00 H new ATOM 1663 N GLN A 125 34.462 4.135 -3.973 1.00 0.00 N ATOM 1664 CA GLN A 125 35.631 4.621 -4.688 1.00 0.00 C ATOM 1665 C GLN A 125 36.844 4.684 -3.770 1.00 0.00 C ATOM 1666 O GLN A 125 36.716 4.636 -2.547 1.00 0.00 O ATOM 1667 CB GLN A 125 35.352 6.005 -5.274 1.00 0.00 C ATOM 1668 CG GLN A 125 34.723 5.966 -6.656 1.00 0.00 C ATOM 1669 CD GLN A 125 33.924 7.216 -6.968 1.00 0.00 C ATOM 1670 OE1 GLN A 125 34.463 8.323 -6.984 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.631 7.046 -7.216 1.00 0.00 N ATOM 0 H GLN A 125 34.217 4.680 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 125 35.847 3.924 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.692 6.550 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 125 36.287 6.564 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 125 35.506 5.844 -7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 125 34.072 5.095 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 125 32.226 6.110 -7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 125 32.043 7.851 -7.431 1.00 0.00 H new ATOM 1680 N ILE A 126 38.019 4.785 -4.374 1.00 0.00 N ATOM 1681 CA ILE A 126 39.265 4.853 -3.621 1.00 0.00 C ATOM 1682 C ILE A 126 39.625 6.298 -3.293 1.00 0.00 C ATOM 1683 O ILE A 126 40.549 6.866 -3.874 1.00 0.00 O ATOM 1684 CB ILE A 126 40.425 4.204 -4.400 1.00 0.00 C ATOM 1685 CG1 ILE A 126 40.099 2.744 -4.716 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.722 4.301 -3.610 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.984 1.870 -3.487 1.00 0.00 C ATOM 0 H ILE A 126 38.137 4.822 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 126 39.111 4.302 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 126 40.556 4.743 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 126 39.162 2.702 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 126 40.874 2.340 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 126 42.529 3.837 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.961 5.349 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 126 41.606 3.786 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.751 0.848 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.928 1.882 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 126 39.189 2.249 -2.844 1.00 0.00 H new TER 1699 ILE A 126