USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 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 98 ASN : amide:sc= -0.299! K(o=1.4!,f=-8.3) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.533! C(o=1.4!,f=-8.3!) USER MOD Set 1.3: A 102 THR OG1 : rot 7:sc= 1.12 USER MOD Set 2.1: A 76 THR OG1 : rot 161:sc= -2.21! USER MOD Set 2.2: A 79 ASN : amide:sc= -2.29! C(o=-4.5!,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0745 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.35) USER MOD Single : A 26 ASN : amide:sc= -2.96! K(o=-3!,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -1.14 (180deg=-1.18) USER MOD Single : A 31 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 123:sc= 0.125 USER MOD Single : A 41 MET CE :methyl 177:sc=-0.00168 (180deg=-0.00465) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.00057) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 148:sc= 1.17 USER MOD Single : A 56 MET CE :methyl 180:sc= -1.46 (180deg=-1.46) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.56) USER MOD Single : A 68 GLN : amide:sc= -10.8! C(o=-11!,f=-4.4!) USER MOD Single : A 70 GLN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 74 HIS : no HD1:sc= -0.956 K(o=-0.96,f=-0.13) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -30:sc= -2.9 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 68:sc= 0.291 USER MOD Single : A 97 THR OG1 : rot 90:sc= -0.886 USER MOD Single : A 103 ASN : amide:sc= -0.318 K(o=-0.32,f=-3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.851 10.996 -10.894 1.00 0.00 N ATOM 2 CA GLY A 1 32.687 12.325 -10.331 1.00 0.00 C ATOM 3 C GLY A 1 31.224 12.591 -9.969 1.00 0.00 C ATOM 4 O GLY A 1 30.448 11.655 -9.779 1.00 0.00 O ATOM 0 H1 GLY A 1 33.639 10.512 -10.418 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.976 10.450 -10.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.055 11.073 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.309 12.426 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.030 13.072 -11.047 1.00 0.00 H new ATOM 8 N SER A 2 30.891 13.871 -9.885 1.00 0.00 N ATOM 9 CA SER A 2 29.535 14.271 -9.550 1.00 0.00 C ATOM 10 C SER A 2 28.581 13.889 -10.684 1.00 0.00 C ATOM 11 O SER A 2 28.504 14.584 -11.695 1.00 0.00 O ATOM 12 CB SER A 2 29.457 15.774 -9.274 1.00 0.00 C ATOM 13 OG SER A 2 30.161 16.136 -8.090 1.00 0.00 O ATOM 0 H SER A 2 31.537 14.644 -10.043 1.00 0.00 H new ATOM 0 HA SER A 2 29.238 13.746 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.869 16.320 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.413 16.072 -9.180 1.00 0.00 H new ATOM 0 HG SER A 2 30.089 17.103 -7.949 1.00 0.00 H new ATOM 19 N SER A 3 27.879 12.785 -10.477 1.00 0.00 N ATOM 20 CA SER A 3 26.934 12.302 -11.469 1.00 0.00 C ATOM 21 C SER A 3 25.804 11.531 -10.783 1.00 0.00 C ATOM 22 O SER A 3 25.812 10.301 -10.758 1.00 0.00 O ATOM 23 CB SER A 3 27.628 11.416 -12.505 1.00 0.00 C ATOM 24 OG SER A 3 27.434 11.896 -13.833 1.00 0.00 O ATOM 0 H SER A 3 27.946 12.211 -9.637 1.00 0.00 H new ATOM 0 HA SER A 3 26.514 13.163 -11.990 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.695 11.372 -12.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.244 10.399 -12.427 1.00 0.00 H new ATOM 0 HG SER A 3 27.894 11.305 -14.465 1.00 0.00 H new ATOM 30 N GLY A 4 24.858 12.286 -10.244 1.00 0.00 N ATOM 31 CA GLY A 4 23.724 11.690 -9.559 1.00 0.00 C ATOM 32 C GLY A 4 24.187 10.779 -8.421 1.00 0.00 C ATOM 33 O GLY A 4 25.347 10.827 -8.015 1.00 0.00 O ATOM 0 H GLY A 4 24.854 13.306 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.081 12.475 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.127 11.117 -10.268 1.00 0.00 H new ATOM 37 N SER A 5 23.256 9.969 -7.938 1.00 0.00 N ATOM 38 CA SER A 5 23.555 9.048 -6.854 1.00 0.00 C ATOM 39 C SER A 5 22.327 8.189 -6.545 1.00 0.00 C ATOM 40 O SER A 5 21.226 8.710 -6.375 1.00 0.00 O ATOM 41 CB SER A 5 24.005 9.800 -5.600 1.00 0.00 C ATOM 42 OG SER A 5 24.192 8.926 -4.491 1.00 0.00 O ATOM 0 H SER A 5 22.295 9.931 -8.277 1.00 0.00 H new ATOM 0 HA SER A 5 24.374 8.402 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.937 10.326 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.262 10.556 -5.345 1.00 0.00 H new ATOM 0 HG SER A 5 24.481 9.444 -3.711 1.00 0.00 H new ATOM 48 N SER A 6 22.558 6.885 -6.481 1.00 0.00 N ATOM 49 CA SER A 6 21.485 5.949 -6.195 1.00 0.00 C ATOM 50 C SER A 6 20.517 5.885 -7.378 1.00 0.00 C ATOM 51 O SER A 6 20.476 4.888 -8.098 1.00 0.00 O ATOM 52 CB SER A 6 20.737 6.340 -4.918 1.00 0.00 C ATOM 53 OG SER A 6 19.842 5.318 -4.490 1.00 0.00 O ATOM 0 H SER A 6 23.472 6.456 -6.622 1.00 0.00 H new ATOM 0 HA SER A 6 21.924 4.964 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.456 6.547 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.180 7.261 -5.092 1.00 0.00 H new ATOM 0 HG SER A 6 19.385 5.605 -3.672 1.00 0.00 H new ATOM 59 N GLY A 7 19.762 6.961 -7.543 1.00 0.00 N ATOM 60 CA GLY A 7 18.797 7.039 -8.627 1.00 0.00 C ATOM 61 C GLY A 7 17.642 7.976 -8.266 1.00 0.00 C ATOM 62 O GLY A 7 17.376 8.215 -7.089 1.00 0.00 O ATOM 0 H GLY A 7 19.799 7.786 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.289 7.395 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.409 6.044 -8.845 1.00 0.00 H new ATOM 66 N PRO A 8 16.970 8.496 -9.328 1.00 0.00 N ATOM 67 CA PRO A 8 15.851 9.401 -9.135 1.00 0.00 C ATOM 68 C PRO A 8 14.605 8.642 -8.674 1.00 0.00 C ATOM 69 O PRO A 8 14.412 7.481 -9.033 1.00 0.00 O ATOM 70 CB PRO A 8 15.664 10.088 -10.478 1.00 0.00 C ATOM 71 CG PRO A 8 16.377 9.213 -11.496 1.00 0.00 C ATOM 72 CD PRO A 8 17.258 8.235 -10.736 1.00 0.00 C ATOM 0 HA PRO A 8 16.034 10.134 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.606 10.188 -10.722 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.085 11.093 -10.464 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.654 8.677 -12.111 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.978 9.824 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.027 7.204 -11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.313 8.394 -10.961 1.00 0.00 H new ATOM 80 N ASP A 9 13.791 9.328 -7.885 1.00 0.00 N ATOM 81 CA ASP A 9 12.569 8.733 -7.371 1.00 0.00 C ATOM 82 C ASP A 9 11.475 9.800 -7.307 1.00 0.00 C ATOM 83 O ASP A 9 11.742 10.948 -6.954 1.00 0.00 O ATOM 84 CB ASP A 9 12.776 8.184 -5.958 1.00 0.00 C ATOM 85 CG ASP A 9 13.529 6.854 -5.885 1.00 0.00 C ATOM 86 OD1 ASP A 9 13.657 6.215 -6.952 1.00 0.00 O ATOM 87 OD2 ASP A 9 13.959 6.506 -4.765 1.00 0.00 O ATOM 0 H ASP A 9 13.954 10.290 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 9 12.285 7.918 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.320 8.925 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.801 8.059 -5.487 1.00 0.00 H new ATOM 92 N VAL A 10 10.266 9.384 -7.655 1.00 0.00 N ATOM 93 CA VAL A 10 9.130 10.290 -7.642 1.00 0.00 C ATOM 94 C VAL A 10 7.854 9.498 -7.350 1.00 0.00 C ATOM 95 O VAL A 10 7.643 8.425 -7.913 1.00 0.00 O ATOM 96 CB VAL A 10 9.064 11.066 -8.959 1.00 0.00 C ATOM 97 CG1 VAL A 10 8.861 12.561 -8.705 1.00 0.00 C ATOM 98 CG2 VAL A 10 10.315 10.818 -9.804 1.00 0.00 C ATOM 0 H VAL A 10 10.048 8.431 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 10 9.241 11.030 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 10 8.203 10.702 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.818 13.089 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.928 12.714 -8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.692 12.946 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.243 11.381 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.197 11.141 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.397 9.755 -10.029 1.00 0.00 H new ATOM 108 N ARG A 11 7.037 10.057 -6.470 1.00 0.00 N ATOM 109 CA ARG A 11 5.787 9.416 -6.096 1.00 0.00 C ATOM 110 C ARG A 11 4.671 10.455 -5.981 1.00 0.00 C ATOM 111 O ARG A 11 3.620 10.315 -6.605 1.00 0.00 O ATOM 112 CB ARG A 11 5.925 8.675 -4.765 1.00 0.00 C ATOM 113 CG ARG A 11 6.930 7.526 -4.877 1.00 0.00 C ATOM 114 CD ARG A 11 8.284 7.922 -4.286 1.00 0.00 C ATOM 115 NE ARG A 11 9.030 6.712 -3.875 1.00 0.00 N ATOM 116 CZ ARG A 11 10.134 6.732 -3.115 1.00 0.00 C ATOM 117 NH1 ARG A 11 10.626 7.900 -2.680 1.00 0.00 N ATOM 118 NH2 ARG A 11 10.745 5.585 -2.791 1.00 0.00 N ATOM 0 H ARG A 11 7.216 10.947 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 11 5.538 8.696 -6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.247 9.370 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.954 8.285 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.545 6.649 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.054 7.247 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.861 8.483 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.138 8.578 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 11 8.682 5.806 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.160 8.773 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.466 7.916 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.370 4.696 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.585 5.600 -2.213 1.00 0.00 H new ATOM 132 N ARG A 12 4.937 11.475 -5.178 1.00 0.00 N ATOM 133 CA ARG A 12 3.967 12.538 -4.972 1.00 0.00 C ATOM 134 C ARG A 12 4.440 13.826 -5.650 1.00 0.00 C ATOM 135 O ARG A 12 5.640 14.086 -5.729 1.00 0.00 O ATOM 136 CB ARG A 12 3.750 12.805 -3.481 1.00 0.00 C ATOM 137 CG ARG A 12 5.028 13.335 -2.827 1.00 0.00 C ATOM 138 CD ARG A 12 4.731 14.556 -1.955 1.00 0.00 C ATOM 139 NE ARG A 12 5.954 15.374 -1.795 1.00 0.00 N ATOM 140 CZ ARG A 12 6.470 16.149 -2.758 1.00 0.00 C ATOM 141 NH1 ARG A 12 5.873 16.217 -3.956 1.00 0.00 N ATOM 142 NH2 ARG A 12 7.584 16.856 -2.524 1.00 0.00 N ATOM 0 H ARG A 12 5.810 11.588 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 12 3.023 12.216 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.944 13.527 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.438 11.886 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.482 12.552 -2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.752 13.601 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.941 15.154 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.367 14.236 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 12 6.434 15.346 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.025 15.678 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.266 16.807 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.039 16.804 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.977 17.446 -3.257 1.00 0.00 H new ATOM 156 N ASP A 13 3.473 14.598 -6.123 1.00 0.00 N ATOM 157 CA ASP A 13 3.775 15.852 -6.791 1.00 0.00 C ATOM 158 C ASP A 13 2.475 16.482 -7.295 1.00 0.00 C ATOM 159 O ASP A 13 2.220 17.662 -7.058 1.00 0.00 O ATOM 160 CB ASP A 13 4.690 15.627 -7.996 1.00 0.00 C ATOM 161 CG ASP A 13 5.007 16.883 -8.810 1.00 0.00 C ATOM 162 OD1 ASP A 13 5.251 17.928 -8.170 1.00 0.00 O ATOM 163 OD2 ASP A 13 4.999 16.769 -10.055 1.00 0.00 O ATOM 0 H ASP A 13 2.479 14.379 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 13 4.275 16.504 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.627 15.193 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.225 14.893 -8.654 1.00 0.00 H new ATOM 168 N LYS A 14 1.687 15.668 -7.982 1.00 0.00 N ATOM 169 CA LYS A 14 0.420 16.131 -8.521 1.00 0.00 C ATOM 170 C LYS A 14 -0.721 15.333 -7.887 1.00 0.00 C ATOM 171 O LYS A 14 -0.506 14.239 -7.368 1.00 0.00 O ATOM 172 CB LYS A 14 0.436 16.073 -10.050 1.00 0.00 C ATOM 173 CG LYS A 14 1.256 17.225 -10.634 1.00 0.00 C ATOM 174 CD LYS A 14 0.431 18.512 -10.691 1.00 0.00 C ATOM 175 CE LYS A 14 1.106 19.631 -9.895 1.00 0.00 C ATOM 176 NZ LYS A 14 0.725 20.954 -10.438 1.00 0.00 N ATOM 0 H LYS A 14 1.902 14.690 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 14 0.257 17.178 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.855 15.121 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.585 16.119 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.147 17.386 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.596 16.962 -11.636 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.306 18.823 -11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.566 18.327 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.817 19.565 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.189 19.512 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.191 21.703 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.022 21.020 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.307 21.070 -10.377 1.00 0.00 H new ATOM 190 N PRO A 15 -1.943 15.927 -7.953 1.00 0.00 N ATOM 191 CA PRO A 15 -3.119 15.284 -7.391 1.00 0.00 C ATOM 192 C PRO A 15 -3.592 14.134 -8.282 1.00 0.00 C ATOM 193 O PRO A 15 -3.643 14.270 -9.503 1.00 0.00 O ATOM 194 CB PRO A 15 -4.148 16.394 -7.257 1.00 0.00 C ATOM 195 CG PRO A 15 -3.677 17.512 -8.173 1.00 0.00 C ATOM 196 CD PRO A 15 -2.236 17.222 -8.560 1.00 0.00 C ATOM 0 HA PRO A 15 -2.924 14.821 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.139 16.044 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.219 16.738 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.307 17.569 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.750 18.475 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.116 17.188 -9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.563 17.995 -8.189 1.00 0.00 H new ATOM 204 N VAL A 16 -3.927 13.027 -7.635 1.00 0.00 N ATOM 205 CA VAL A 16 -4.395 11.853 -8.353 1.00 0.00 C ATOM 206 C VAL A 16 -5.422 12.280 -9.405 1.00 0.00 C ATOM 207 O VAL A 16 -6.103 13.290 -9.238 1.00 0.00 O ATOM 208 CB VAL A 16 -4.943 10.820 -7.367 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.806 10.081 -6.658 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.886 11.474 -6.356 1.00 0.00 C ATOM 0 H VAL A 16 -3.884 12.918 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.570 11.373 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.516 10.087 -7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.223 9.353 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.190 9.567 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.193 10.796 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.262 10.718 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.347 12.239 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.723 11.932 -6.883 1.00 0.00 H new ATOM 220 N THR A 17 -5.501 11.488 -10.464 1.00 0.00 N ATOM 221 CA THR A 17 -6.433 11.771 -11.542 1.00 0.00 C ATOM 222 C THR A 17 -7.190 10.502 -11.939 1.00 0.00 C ATOM 223 O THR A 17 -6.839 9.405 -11.508 1.00 0.00 O ATOM 224 CB THR A 17 -5.646 12.394 -12.696 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.769 11.354 -13.121 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.705 13.507 -12.229 1.00 0.00 C ATOM 0 H THR A 17 -4.935 10.650 -10.599 1.00 0.00 H new ATOM 0 HA THR A 17 -7.196 12.483 -11.228 1.00 0.00 H new ATOM 0 HB THR A 17 -6.341 12.792 -13.435 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.222 11.673 -13.869 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.171 13.915 -13.087 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.285 14.298 -11.753 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.989 13.102 -11.514 1.00 0.00 H new ATOM 234 N GLY A 18 -8.216 10.694 -12.755 1.00 0.00 N ATOM 235 CA GLY A 18 -9.026 9.579 -13.215 1.00 0.00 C ATOM 236 C GLY A 18 -8.148 8.386 -13.600 1.00 0.00 C ATOM 237 O GLY A 18 -8.591 7.240 -13.538 1.00 0.00 O ATOM 0 H GLY A 18 -8.505 11.606 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.724 9.284 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.623 9.888 -14.073 1.00 0.00 H new ATOM 241 N GLU A 19 -6.920 8.696 -13.988 1.00 0.00 N ATOM 242 CA GLU A 19 -5.977 7.664 -14.383 1.00 0.00 C ATOM 243 C GLU A 19 -5.466 6.913 -13.152 1.00 0.00 C ATOM 244 O GLU A 19 -5.388 5.685 -13.157 1.00 0.00 O ATOM 245 CB GLU A 19 -4.816 8.259 -15.183 1.00 0.00 C ATOM 246 CG GLU A 19 -4.200 7.214 -16.115 1.00 0.00 C ATOM 247 CD GLU A 19 -3.707 7.859 -17.412 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.522 7.928 -18.357 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.526 8.268 -17.429 1.00 0.00 O ATOM 0 H GLU A 19 -6.556 9.648 -14.037 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.494 6.955 -15.029 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.170 9.109 -15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.055 8.636 -14.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.369 6.718 -15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.938 6.446 -16.344 1.00 0.00 H new ATOM 256 N GLN A 20 -5.131 7.682 -12.126 1.00 0.00 N ATOM 257 CA GLN A 20 -4.630 7.104 -10.890 1.00 0.00 C ATOM 258 C GLN A 20 -5.782 6.513 -10.075 1.00 0.00 C ATOM 259 O GLN A 20 -5.666 5.411 -9.540 1.00 0.00 O ATOM 260 CB GLN A 20 -3.857 8.142 -10.074 1.00 0.00 C ATOM 261 CG GLN A 20 -2.691 8.717 -10.881 1.00 0.00 C ATOM 262 CD GLN A 20 -1.615 9.291 -9.957 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.869 8.575 -9.310 1.00 0.00 O ATOM 264 NE2 GLN A 20 -1.578 10.621 -9.931 1.00 0.00 N ATOM 0 H GLN A 20 -5.197 8.700 -12.125 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.939 6.299 -11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.528 8.947 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.480 7.684 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.259 7.937 -11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.056 9.497 -11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.232 11.161 -10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.896 11.101 -9.344 1.00 0.00 H new ATOM 273 N ILE A 21 -6.866 7.270 -10.007 1.00 0.00 N ATOM 274 CA ILE A 21 -8.038 6.835 -9.267 1.00 0.00 C ATOM 275 C ILE A 21 -8.343 5.376 -9.614 1.00 0.00 C ATOM 276 O ILE A 21 -8.164 4.486 -8.783 1.00 0.00 O ATOM 277 CB ILE A 21 -9.212 7.784 -9.515 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.986 9.129 -8.823 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.536 7.140 -9.097 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.310 9.862 -8.601 1.00 0.00 C ATOM 0 H ILE A 21 -6.958 8.183 -10.453 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.847 6.875 -8.195 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.272 7.979 -10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.489 8.970 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.322 9.746 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.354 7.836 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.696 6.229 -9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.503 6.896 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.120 10.815 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.792 10.041 -9.562 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.962 9.253 -7.975 1.00 0.00 H new ATOM 292 N GLU A 22 -8.797 5.176 -10.842 1.00 0.00 N ATOM 293 CA GLU A 22 -9.128 3.840 -11.309 1.00 0.00 C ATOM 294 C GLU A 22 -8.122 2.824 -10.766 1.00 0.00 C ATOM 295 O GLU A 22 -8.509 1.769 -10.265 1.00 0.00 O ATOM 296 CB GLU A 22 -9.184 3.792 -12.837 1.00 0.00 C ATOM 297 CG GLU A 22 -7.960 4.472 -13.453 1.00 0.00 C ATOM 298 CD GLU A 22 -7.000 3.439 -14.048 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.626 2.513 -13.296 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.663 3.598 -15.241 1.00 0.00 O ATOM 0 H GLU A 22 -8.944 5.916 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.117 3.579 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.234 2.755 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.092 4.284 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.278 5.168 -14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.444 5.058 -12.692 1.00 0.00 H new ATOM 307 N VAL A 23 -6.851 3.177 -10.882 1.00 0.00 N ATOM 308 CA VAL A 23 -5.786 2.308 -10.409 1.00 0.00 C ATOM 309 C VAL A 23 -5.950 2.082 -8.904 1.00 0.00 C ATOM 310 O VAL A 23 -6.059 0.943 -8.452 1.00 0.00 O ATOM 311 CB VAL A 23 -4.424 2.899 -10.780 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.363 2.522 -9.744 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.001 2.461 -12.183 1.00 0.00 C ATOM 0 H VAL A 23 -6.534 4.053 -11.297 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.845 1.333 -10.893 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.519 3.985 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.404 2.954 -10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.656 2.906 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.272 1.437 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.030 2.895 -12.422 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.932 1.374 -12.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.739 2.802 -12.909 1.00 0.00 H new ATOM 323 N PHE A 24 -5.962 3.185 -8.170 1.00 0.00 N ATOM 324 CA PHE A 24 -6.110 3.121 -6.726 1.00 0.00 C ATOM 325 C PHE A 24 -7.249 2.178 -6.333 1.00 0.00 C ATOM 326 O PHE A 24 -7.058 1.273 -5.522 1.00 0.00 O ATOM 327 CB PHE A 24 -6.448 4.535 -6.248 1.00 0.00 C ATOM 328 CG PHE A 24 -5.527 5.054 -5.141 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.602 4.524 -3.891 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.635 6.044 -5.408 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.748 5.005 -2.864 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.781 6.526 -4.381 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.856 5.996 -3.130 1.00 0.00 C ATOM 0 H PHE A 24 -5.872 4.128 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.191 2.747 -6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.398 5.216 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.477 4.550 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.311 3.737 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.576 6.464 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.807 4.584 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.072 7.313 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.207 6.363 -2.348 1.00 0.00 H new ATOM 343 N ALA A 25 -8.408 2.421 -6.926 1.00 0.00 N ATOM 344 CA ALA A 25 -9.577 1.605 -6.648 1.00 0.00 C ATOM 345 C ALA A 25 -9.156 0.138 -6.541 1.00 0.00 C ATOM 346 O ALA A 25 -9.267 -0.467 -5.476 1.00 0.00 O ATOM 347 CB ALA A 25 -10.629 1.832 -7.736 1.00 0.00 C ATOM 0 H ALA A 25 -8.563 3.172 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.026 1.889 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.506 1.220 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.916 2.883 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.215 1.555 -8.706 1.00 0.00 H new ATOM 353 N ASN A 26 -8.682 -0.391 -7.660 1.00 0.00 N ATOM 354 CA ASN A 26 -8.243 -1.776 -7.705 1.00 0.00 C ATOM 355 C ASN A 26 -7.487 -2.109 -6.418 1.00 0.00 C ATOM 356 O ASN A 26 -7.672 -3.182 -5.845 1.00 0.00 O ATOM 357 CB ASN A 26 -7.298 -2.016 -8.884 1.00 0.00 C ATOM 358 CG ASN A 26 -8.012 -1.777 -10.216 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.714 -2.629 -10.736 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.794 -0.573 -10.738 1.00 0.00 N ATOM 0 H ASN A 26 -8.592 0.114 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.126 -2.406 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.436 -1.353 -8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.919 -3.037 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.226 -0.316 -11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.195 0.093 -10.250 1.00 0.00 H new ATOM 367 N LYS A 27 -6.651 -1.170 -6.000 1.00 0.00 N ATOM 368 CA LYS A 27 -5.866 -1.351 -4.791 1.00 0.00 C ATOM 369 C LYS A 27 -6.791 -1.293 -3.574 1.00 0.00 C ATOM 370 O LYS A 27 -6.960 -2.288 -2.870 1.00 0.00 O ATOM 371 CB LYS A 27 -4.719 -0.339 -4.740 1.00 0.00 C ATOM 372 CG LYS A 27 -3.814 -0.475 -5.966 1.00 0.00 C ATOM 373 CD LYS A 27 -2.557 0.384 -5.816 1.00 0.00 C ATOM 374 CE LYS A 27 -2.741 1.748 -6.486 1.00 0.00 C ATOM 375 NZ LYS A 27 -1.572 2.072 -7.333 1.00 0.00 N ATOM 0 H LYS A 27 -6.500 -0.281 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.394 -2.334 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.123 0.672 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.134 -0.492 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.532 -1.519 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.360 -0.175 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.331 0.522 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.705 -0.131 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.647 1.742 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.871 2.518 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.641 3.058 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.699 1.949 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.554 1.437 -8.157 1.00 0.00 H new ATOM 389 N LEU A 28 -7.367 -0.118 -3.363 1.00 0.00 N ATOM 390 CA LEU A 28 -8.271 0.082 -2.243 1.00 0.00 C ATOM 391 C LEU A 28 -9.171 -1.146 -2.094 1.00 0.00 C ATOM 392 O LEU A 28 -9.167 -1.801 -1.053 1.00 0.00 O ATOM 393 CB LEU A 28 -9.041 1.394 -2.405 1.00 0.00 C ATOM 394 CG LEU A 28 -9.533 2.047 -1.112 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.395 2.182 -0.099 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.209 3.389 -1.398 1.00 0.00 C ATOM 0 H LEU A 28 -7.225 0.705 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.711 0.181 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.401 2.105 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.903 1.210 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.286 1.397 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.771 2.649 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.999 1.194 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.602 2.799 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.549 3.832 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.497 4.060 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.063 3.233 -2.057 1.00 0.00 H new ATOM 408 N GLY A 29 -9.922 -1.421 -3.151 1.00 0.00 N ATOM 409 CA GLY A 29 -10.826 -2.559 -3.150 1.00 0.00 C ATOM 410 C GLY A 29 -11.988 -2.335 -2.181 1.00 0.00 C ATOM 411 O GLY A 29 -12.903 -1.566 -2.470 1.00 0.00 O ATOM 0 H GLY A 29 -9.923 -0.876 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.213 -2.722 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.282 -3.460 -2.868 1.00 0.00 H new ATOM 415 N GLU A 30 -11.914 -3.022 -1.050 1.00 0.00 N ATOM 416 CA GLU A 30 -12.949 -2.909 -0.037 1.00 0.00 C ATOM 417 C GLU A 30 -12.439 -2.092 1.153 1.00 0.00 C ATOM 418 O GLU A 30 -13.170 -1.872 2.118 1.00 0.00 O ATOM 419 CB GLU A 30 -13.430 -4.290 0.413 1.00 0.00 C ATOM 420 CG GLU A 30 -12.397 -4.962 1.319 1.00 0.00 C ATOM 421 CD GLU A 30 -12.964 -5.190 2.722 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.906 -4.230 3.520 1.00 0.00 O ATOM 423 OE2 GLU A 30 -13.442 -6.319 2.964 1.00 0.00 O ATOM 0 H GLU A 30 -11.153 -3.659 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.801 -2.388 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.377 -4.194 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.616 -4.916 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.094 -5.915 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.503 -4.341 1.381 1.00 0.00 H new ATOM 430 N GLN A 31 -11.190 -1.664 1.044 1.00 0.00 N ATOM 431 CA GLN A 31 -10.575 -0.876 2.098 1.00 0.00 C ATOM 432 C GLN A 31 -11.043 0.578 2.017 1.00 0.00 C ATOM 433 O GLN A 31 -10.691 1.397 2.865 1.00 0.00 O ATOM 434 CB GLN A 31 -9.049 -0.965 2.029 1.00 0.00 C ATOM 435 CG GLN A 31 -8.526 -2.107 2.903 1.00 0.00 C ATOM 436 CD GLN A 31 -7.869 -3.193 2.049 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.887 -3.157 0.830 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.288 -4.159 2.756 1.00 0.00 N ATOM 0 H GLN A 31 -10.587 -1.848 0.242 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.888 -1.284 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.737 -1.120 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.611 -0.022 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.805 -1.719 3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.348 -2.537 3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.310 -4.128 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.821 -4.930 2.279 1.00 0.00 H new ATOM 447 N TRP A 32 -11.831 0.856 0.988 1.00 0.00 N ATOM 448 CA TRP A 32 -12.352 2.197 0.785 1.00 0.00 C ATOM 449 C TRP A 32 -13.154 2.587 2.028 1.00 0.00 C ATOM 450 O TRP A 32 -13.171 3.753 2.420 1.00 0.00 O ATOM 451 CB TRP A 32 -13.172 2.278 -0.504 1.00 0.00 C ATOM 452 CG TRP A 32 -14.517 1.552 -0.433 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.780 0.272 -0.732 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.779 2.118 -0.022 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.115 -0.026 -0.545 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.741 1.132 -0.099 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.097 3.421 0.401 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.085 1.345 0.231 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.444 3.617 0.728 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.425 2.635 0.655 1.00 0.00 C ATOM 0 H TRP A 32 -12.121 0.175 0.286 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.538 2.911 0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.349 3.326 -0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.587 1.858 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.041 -0.437 -1.076 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.560 -0.930 -0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.360 4.208 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.820 0.556 0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.742 4.600 1.060 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.445 2.866 0.924 1.00 0.00 H new ATOM 471 N LYS A 33 -13.798 1.588 2.615 1.00 0.00 N ATOM 472 CA LYS A 33 -14.600 1.812 3.806 1.00 0.00 C ATOM 473 C LYS A 33 -13.675 2.073 4.996 1.00 0.00 C ATOM 474 O LYS A 33 -14.126 2.514 6.052 1.00 0.00 O ATOM 475 CB LYS A 33 -15.570 0.649 4.024 1.00 0.00 C ATOM 476 CG LYS A 33 -16.902 1.146 4.590 1.00 0.00 C ATOM 477 CD LYS A 33 -17.979 0.065 4.485 1.00 0.00 C ATOM 478 CE LYS A 33 -19.236 0.466 5.260 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.419 -0.255 4.739 1.00 0.00 N ATOM 0 H LYS A 33 -13.781 0.622 2.288 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.223 2.698 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.742 0.132 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.128 -0.075 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.773 1.436 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.222 2.037 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.231 -0.102 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.593 -0.877 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.104 0.243 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.393 1.541 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.263 0.029 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.553 -0.022 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.273 -1.280 4.840 1.00 0.00 H new ATOM 493 N ILE A 34 -12.397 1.790 4.786 1.00 0.00 N ATOM 494 CA ILE A 34 -11.405 1.989 5.828 1.00 0.00 C ATOM 495 C ILE A 34 -10.767 3.370 5.662 1.00 0.00 C ATOM 496 O ILE A 34 -10.254 3.940 6.624 1.00 0.00 O ATOM 497 CB ILE A 34 -10.394 0.841 5.832 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.096 -0.507 6.013 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.309 1.069 6.886 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.123 -1.666 5.791 1.00 0.00 C ATOM 0 H ILE A 34 -12.026 1.424 3.909 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.876 1.971 6.811 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.899 0.818 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.518 -0.569 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.927 -0.585 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.604 0.238 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.781 1.998 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.768 1.133 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.647 -2.612 5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.721 -1.615 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.306 -1.598 6.510 1.00 0.00 H new ATOM 512 N LEU A 35 -10.819 3.867 4.435 1.00 0.00 N ATOM 513 CA LEU A 35 -10.252 5.169 4.130 1.00 0.00 C ATOM 514 C LEU A 35 -11.356 6.227 4.187 1.00 0.00 C ATOM 515 O LEU A 35 -11.073 7.423 4.241 1.00 0.00 O ATOM 516 CB LEU A 35 -9.505 5.130 2.796 1.00 0.00 C ATOM 517 CG LEU A 35 -7.983 5.003 2.882 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.318 5.492 1.593 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.442 5.727 4.116 1.00 0.00 C ATOM 0 H LEU A 35 -11.245 3.391 3.640 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.507 5.444 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.887 4.292 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.743 6.038 2.242 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.734 3.948 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.236 5.391 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.671 4.895 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.572 6.539 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.358 5.621 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.702 6.784 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.880 5.292 5.014 1.00 0.00 H new ATOM 531 N ALA A 36 -12.592 5.748 4.172 1.00 0.00 N ATOM 532 CA ALA A 36 -13.740 6.637 4.220 1.00 0.00 C ATOM 533 C ALA A 36 -13.700 7.443 5.520 1.00 0.00 C ATOM 534 O ALA A 36 -13.836 8.666 5.501 1.00 0.00 O ATOM 535 CB ALA A 36 -15.025 5.820 4.080 1.00 0.00 C ATOM 0 H ALA A 36 -12.823 4.755 4.127 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.713 7.345 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.886 6.487 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.017 5.289 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.089 5.100 4.896 1.00 0.00 H new ATOM 541 N PRO A 37 -13.509 6.707 6.647 1.00 0.00 N ATOM 542 CA PRO A 37 -13.450 7.340 7.954 1.00 0.00 C ATOM 543 C PRO A 37 -12.115 8.058 8.155 1.00 0.00 C ATOM 544 O PRO A 37 -11.874 8.645 9.209 1.00 0.00 O ATOM 545 CB PRO A 37 -13.674 6.212 8.948 1.00 0.00 C ATOM 546 CG PRO A 37 -13.386 4.926 8.191 1.00 0.00 C ATOM 547 CD PRO A 37 -13.345 5.257 6.708 1.00 0.00 C ATOM 0 HA PRO A 37 -14.203 8.118 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.014 6.314 9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.696 6.222 9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.437 4.498 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.156 4.182 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.402 4.946 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.140 4.745 6.166 1.00 0.00 H new ATOM 555 N TYR A 38 -11.281 7.989 7.128 1.00 0.00 N ATOM 556 CA TYR A 38 -9.976 8.625 7.179 1.00 0.00 C ATOM 557 C TYR A 38 -9.823 9.654 6.057 1.00 0.00 C ATOM 558 O TYR A 38 -8.813 10.351 5.982 1.00 0.00 O ATOM 559 CB TYR A 38 -8.953 7.507 6.972 1.00 0.00 C ATOM 560 CG TYR A 38 -8.537 6.797 8.263 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.299 5.757 8.754 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.401 7.198 8.935 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.908 5.089 9.968 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.010 6.530 10.150 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.783 5.509 10.606 1.00 0.00 C ATOM 566 OH TYR A 38 -7.413 4.878 11.753 1.00 0.00 O ATOM 0 H TYR A 38 -11.484 7.502 6.255 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.840 9.146 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.368 6.772 6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.065 7.924 6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.189 5.444 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.805 8.012 8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.495 4.273 10.363 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.123 6.833 10.686 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.501 4.532 11.657 1.00 0.00 H new ATOM 576 N LEU A 39 -10.842 9.715 5.211 1.00 0.00 N ATOM 577 CA LEU A 39 -10.833 10.646 4.096 1.00 0.00 C ATOM 578 C LEU A 39 -11.774 11.813 4.404 1.00 0.00 C ATOM 579 O LEU A 39 -11.919 12.728 3.596 1.00 0.00 O ATOM 580 CB LEU A 39 -11.161 9.921 2.789 1.00 0.00 C ATOM 581 CG LEU A 39 -9.962 9.407 1.989 1.00 0.00 C ATOM 582 CD1 LEU A 39 -8.923 8.764 2.910 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.412 8.454 0.879 1.00 0.00 C ATOM 0 H LEU A 39 -11.678 9.135 5.276 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.837 11.066 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.809 9.075 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.733 10.598 2.154 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.482 10.259 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.082 8.407 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.571 9.501 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.375 7.925 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.541 8.103 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.930 7.602 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.086 8.978 0.201 1.00 0.00 H new ATOM 595 N GLU A 40 -12.390 11.741 5.575 1.00 0.00 N ATOM 596 CA GLU A 40 -13.313 12.780 6.000 1.00 0.00 C ATOM 597 C GLU A 40 -14.577 12.751 5.139 1.00 0.00 C ATOM 598 O GLU A 40 -15.066 13.796 4.712 1.00 0.00 O ATOM 599 CB GLU A 40 -12.648 14.157 5.952 1.00 0.00 C ATOM 600 CG GLU A 40 -11.299 14.140 6.673 1.00 0.00 C ATOM 601 CD GLU A 40 -11.480 14.331 8.180 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.892 15.447 8.565 1.00 0.00 O ATOM 603 OE2 GLU A 40 -11.203 13.357 8.913 1.00 0.00 O ATOM 0 H GLU A 40 -12.268 10.979 6.243 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.597 12.586 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.506 14.460 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.302 14.897 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.792 13.194 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.661 14.930 6.277 1.00 0.00 H new ATOM 610 N MET A 41 -15.071 11.543 4.910 1.00 0.00 N ATOM 611 CA MET A 41 -16.270 11.364 4.108 1.00 0.00 C ATOM 612 C MET A 41 -17.529 11.614 4.940 1.00 0.00 C ATOM 613 O MET A 41 -17.441 11.988 6.109 1.00 0.00 O ATOM 614 CB MET A 41 -16.302 9.940 3.549 1.00 0.00 C ATOM 615 CG MET A 41 -15.342 9.794 2.366 1.00 0.00 C ATOM 616 SD MET A 41 -16.227 10.008 0.831 1.00 0.00 S ATOM 617 CE MET A 41 -15.326 11.387 0.143 1.00 0.00 C ATOM 0 H MET A 41 -14.663 10.679 5.266 1.00 0.00 H new ATOM 0 HA MET A 41 -16.249 12.085 3.291 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.030 9.232 4.332 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.315 9.692 3.233 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.544 10.533 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.870 8.812 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.717 11.619 -0.848 1.00 0.00 H new ATOM 0 HE2 MET A 41 -15.441 12.256 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 41 -14.270 11.129 0.065 1.00 0.00 H new ATOM 627 N LYS A 42 -18.672 11.397 4.306 1.00 0.00 N ATOM 628 CA LYS A 42 -19.947 11.594 4.973 1.00 0.00 C ATOM 629 C LYS A 42 -20.675 10.253 5.079 1.00 0.00 C ATOM 630 O LYS A 42 -20.786 9.523 4.094 1.00 0.00 O ATOM 631 CB LYS A 42 -20.760 12.681 4.265 1.00 0.00 C ATOM 632 CG LYS A 42 -20.075 14.044 4.387 1.00 0.00 C ATOM 633 CD LYS A 42 -20.354 14.677 5.752 1.00 0.00 C ATOM 634 CE LYS A 42 -21.841 14.999 5.913 1.00 0.00 C ATOM 635 NZ LYS A 42 -22.021 16.387 6.394 1.00 0.00 N ATOM 0 H LYS A 42 -18.741 11.086 3.337 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.793 11.955 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.880 12.423 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.759 12.732 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.000 13.929 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.429 14.705 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.038 13.998 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.767 15.589 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.353 14.869 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.296 14.302 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.036 16.590 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.549 16.499 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.604 17.049 5.708 1.00 0.00 H new ATOM 649 N ASP A 43 -21.153 9.968 6.281 1.00 0.00 N ATOM 650 CA ASP A 43 -21.867 8.727 6.528 1.00 0.00 C ATOM 651 C ASP A 43 -22.771 8.417 5.333 1.00 0.00 C ATOM 652 O ASP A 43 -22.680 7.341 4.744 1.00 0.00 O ATOM 653 CB ASP A 43 -22.751 8.838 7.773 1.00 0.00 C ATOM 654 CG ASP A 43 -22.171 8.200 9.036 1.00 0.00 C ATOM 655 OD1 ASP A 43 -21.332 7.287 8.877 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.580 8.639 10.133 1.00 0.00 O ATOM 0 H ASP A 43 -21.060 10.576 7.095 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.130 7.938 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.942 9.893 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.714 8.374 7.559 1.00 0.00 H new ATOM 661 N SER A 44 -23.622 9.380 5.011 1.00 0.00 N ATOM 662 CA SER A 44 -24.541 9.223 3.896 1.00 0.00 C ATOM 663 C SER A 44 -23.774 8.809 2.639 1.00 0.00 C ATOM 664 O SER A 44 -24.127 7.828 1.987 1.00 0.00 O ATOM 665 CB SER A 44 -25.322 10.514 3.641 1.00 0.00 C ATOM 666 OG SER A 44 -26.206 10.825 4.715 1.00 0.00 O ATOM 0 H SER A 44 -23.695 10.271 5.502 1.00 0.00 H new ATOM 0 HA SER A 44 -25.257 8.441 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.623 11.338 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.894 10.416 2.718 1.00 0.00 H new ATOM 0 HG SER A 44 -26.684 11.656 4.515 1.00 0.00 H new ATOM 672 N GLU A 45 -22.739 9.578 2.337 1.00 0.00 N ATOM 673 CA GLU A 45 -21.918 9.304 1.169 1.00 0.00 C ATOM 674 C GLU A 45 -21.464 7.843 1.171 1.00 0.00 C ATOM 675 O GLU A 45 -21.700 7.115 0.208 1.00 0.00 O ATOM 676 CB GLU A 45 -20.718 10.251 1.107 1.00 0.00 C ATOM 677 CG GLU A 45 -20.874 11.259 -0.033 1.00 0.00 C ATOM 678 CD GLU A 45 -20.632 10.595 -1.390 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.598 9.903 -1.507 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.487 10.794 -2.279 1.00 0.00 O ATOM 0 H GLU A 45 -22.449 10.391 2.881 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.521 9.476 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.619 10.781 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.803 9.676 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.875 11.689 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.171 12.080 0.104 1.00 0.00 H new ATOM 687 N ILE A 46 -20.821 7.457 2.263 1.00 0.00 N ATOM 688 CA ILE A 46 -20.332 6.096 2.403 1.00 0.00 C ATOM 689 C ILE A 46 -21.401 5.121 1.905 1.00 0.00 C ATOM 690 O ILE A 46 -21.117 4.247 1.088 1.00 0.00 O ATOM 691 CB ILE A 46 -19.883 5.834 3.842 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.711 6.740 4.224 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.555 4.354 4.052 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.329 6.553 5.694 1.00 0.00 C ATOM 0 H ILE A 46 -20.627 8.064 3.060 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.448 5.943 1.785 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.710 6.079 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.853 6.517 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.978 7.781 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.238 4.194 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.441 3.752 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.752 4.060 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.493 7.209 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.182 6.801 6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.039 5.516 5.866 1.00 0.00 H new ATOM 706 N ARG A 47 -22.609 5.304 2.419 1.00 0.00 N ATOM 707 CA ARG A 47 -23.722 4.451 2.037 1.00 0.00 C ATOM 708 C ARG A 47 -24.028 4.614 0.547 1.00 0.00 C ATOM 709 O ARG A 47 -24.113 3.629 -0.184 1.00 0.00 O ATOM 710 CB ARG A 47 -24.975 4.786 2.848 1.00 0.00 C ATOM 711 CG ARG A 47 -24.966 4.062 4.196 1.00 0.00 C ATOM 712 CD ARG A 47 -24.652 5.032 5.337 1.00 0.00 C ATOM 713 NE ARG A 47 -24.836 4.357 6.641 1.00 0.00 N ATOM 714 CZ ARG A 47 -24.000 3.433 7.132 1.00 0.00 C ATOM 715 NH1 ARG A 47 -22.917 3.068 6.432 1.00 0.00 N ATOM 716 NH2 ARG A 47 -24.246 2.873 8.325 1.00 0.00 N ATOM 0 H ARG A 47 -22.841 6.030 3.097 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.436 3.419 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.031 5.862 3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.864 4.502 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -25.935 3.594 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.225 3.263 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.628 5.393 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.304 5.903 5.274 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.650 4.611 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.729 3.494 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.281 2.364 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.070 3.151 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.609 2.169 8.699 1.00 0.00 H new ATOM 730 N GLN A 48 -24.185 5.866 0.141 1.00 0.00 N ATOM 731 CA GLN A 48 -24.480 6.170 -1.249 1.00 0.00 C ATOM 732 C GLN A 48 -23.634 5.294 -2.175 1.00 0.00 C ATOM 733 O GLN A 48 -24.171 4.497 -2.942 1.00 0.00 O ATOM 734 CB GLN A 48 -24.257 7.655 -1.544 1.00 0.00 C ATOM 735 CG GLN A 48 -25.318 8.516 -0.856 1.00 0.00 C ATOM 736 CD GLN A 48 -26.593 8.591 -1.699 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.628 9.177 -2.768 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.636 7.968 -1.158 1.00 0.00 N ATOM 0 H GLN A 48 -24.113 6.681 0.750 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.531 5.950 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.265 7.952 -1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.288 7.824 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.550 8.100 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.927 9.520 -0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.538 7.496 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.534 7.962 -1.642 1.00 0.00 H new ATOM 747 N ILE A 49 -22.325 5.472 -2.074 1.00 0.00 N ATOM 748 CA ILE A 49 -21.400 4.708 -2.893 1.00 0.00 C ATOM 749 C ILE A 49 -21.876 3.257 -2.973 1.00 0.00 C ATOM 750 O ILE A 49 -22.385 2.823 -4.006 1.00 0.00 O ATOM 751 CB ILE A 49 -19.970 4.858 -2.368 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.483 6.302 -2.508 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.028 3.866 -3.053 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.617 6.706 -1.314 1.00 0.00 C ATOM 0 H ILE A 49 -21.883 6.135 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.383 5.095 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.970 4.620 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.911 6.409 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.339 6.973 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.019 3.993 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.367 2.849 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.027 4.048 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.284 7.736 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.200 6.621 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.749 6.049 -1.255 1.00 0.00 H new ATOM 766 N GLU A 50 -21.695 2.545 -1.870 1.00 0.00 N ATOM 767 CA GLU A 50 -22.100 1.152 -1.803 1.00 0.00 C ATOM 768 C GLU A 50 -23.413 0.943 -2.560 1.00 0.00 C ATOM 769 O GLU A 50 -23.487 0.115 -3.467 1.00 0.00 O ATOM 770 CB GLU A 50 -22.224 0.686 -0.351 1.00 0.00 C ATOM 771 CG GLU A 50 -21.240 -0.447 -0.052 1.00 0.00 C ATOM 772 CD GLU A 50 -21.981 -1.738 0.301 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.598 -2.309 -0.624 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.913 -2.124 1.488 1.00 0.00 O ATOM 0 H GLU A 50 -21.273 2.908 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.329 0.547 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.035 1.523 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.242 0.348 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.600 -0.616 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.589 -0.160 0.774 1.00 0.00 H new ATOM 781 N CYS A 51 -24.417 1.709 -2.160 1.00 0.00 N ATOM 782 CA CYS A 51 -25.724 1.619 -2.789 1.00 0.00 C ATOM 783 C CYS A 51 -25.540 1.764 -4.301 1.00 0.00 C ATOM 784 O CYS A 51 -25.996 0.918 -5.069 1.00 0.00 O ATOM 785 CB CYS A 51 -26.694 2.662 -2.230 1.00 0.00 C ATOM 786 SG CYS A 51 -28.402 2.278 -2.765 1.00 0.00 S ATOM 0 H CYS A 51 -24.352 2.395 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.170 0.649 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.639 2.675 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.411 3.656 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.218 3.168 -2.284 1.00 0.00 H new ATOM 792 N ASP A 52 -24.871 2.842 -4.683 1.00 0.00 N ATOM 793 CA ASP A 52 -24.621 3.108 -6.090 1.00 0.00 C ATOM 794 C ASP A 52 -24.163 1.819 -6.775 1.00 0.00 C ATOM 795 O ASP A 52 -24.839 1.313 -7.668 1.00 0.00 O ATOM 796 CB ASP A 52 -23.518 4.154 -6.265 1.00 0.00 C ATOM 797 CG ASP A 52 -23.854 5.292 -7.231 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.748 6.091 -6.879 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.208 5.336 -8.301 1.00 0.00 O ATOM 0 H ASP A 52 -24.494 3.541 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.545 3.481 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.286 4.582 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.616 3.654 -6.617 1.00 0.00 H new ATOM 804 N SER A 53 -23.017 1.325 -6.330 1.00 0.00 N ATOM 805 CA SER A 53 -22.460 0.105 -6.889 1.00 0.00 C ATOM 806 C SER A 53 -22.055 -0.849 -5.764 1.00 0.00 C ATOM 807 O SER A 53 -21.512 -0.419 -4.747 1.00 0.00 O ATOM 808 CB SER A 53 -21.259 0.409 -7.786 1.00 0.00 C ATOM 809 OG SER A 53 -21.346 -0.263 -9.040 1.00 0.00 O ATOM 0 H SER A 53 -22.459 1.748 -5.588 1.00 0.00 H new ATOM 0 HA SER A 53 -23.225 -0.371 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 53 -21.195 1.484 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.342 0.111 -7.278 1.00 0.00 H new ATOM 0 HG SER A 53 -20.923 0.284 -9.734 1.00 0.00 H new ATOM 815 N GLU A 54 -22.333 -2.125 -5.984 1.00 0.00 N ATOM 816 CA GLU A 54 -22.005 -3.143 -5.001 1.00 0.00 C ATOM 817 C GLU A 54 -20.653 -3.780 -5.329 1.00 0.00 C ATOM 818 O GLU A 54 -20.248 -4.750 -4.689 1.00 0.00 O ATOM 819 CB GLU A 54 -23.105 -4.203 -4.920 1.00 0.00 C ATOM 820 CG GLU A 54 -24.157 -3.823 -3.877 1.00 0.00 C ATOM 821 CD GLU A 54 -24.777 -5.070 -3.243 1.00 0.00 C ATOM 822 OE1 GLU A 54 -24.030 -6.060 -3.090 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.985 -5.005 -2.927 1.00 0.00 O ATOM 0 H GLU A 54 -22.782 -2.478 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.934 -2.667 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.579 -4.316 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.667 -5.168 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.700 -3.206 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.937 -3.222 -4.344 1.00 0.00 H new ATOM 830 N ASP A 55 -19.991 -3.209 -6.324 1.00 0.00 N ATOM 831 CA ASP A 55 -18.693 -3.709 -6.744 1.00 0.00 C ATOM 832 C ASP A 55 -17.592 -2.882 -6.077 1.00 0.00 C ATOM 833 O ASP A 55 -17.526 -1.667 -6.260 1.00 0.00 O ATOM 834 CB ASP A 55 -18.521 -3.589 -8.260 1.00 0.00 C ATOM 835 CG ASP A 55 -17.733 -4.726 -8.913 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.989 -5.888 -8.528 1.00 0.00 O ATOM 837 OD2 ASP A 55 -16.894 -4.409 -9.784 1.00 0.00 O ATOM 0 H ASP A 55 -20.329 -2.404 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.626 -4.758 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.508 -3.540 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.020 -2.646 -8.480 1.00 0.00 H new ATOM 842 N MET A 56 -16.756 -3.573 -5.316 1.00 0.00 N ATOM 843 CA MET A 56 -15.662 -2.917 -4.620 1.00 0.00 C ATOM 844 C MET A 56 -14.983 -1.882 -5.519 1.00 0.00 C ATOM 845 O MET A 56 -14.851 -0.718 -5.142 1.00 0.00 O ATOM 846 CB MET A 56 -14.636 -3.964 -4.181 1.00 0.00 C ATOM 847 CG MET A 56 -14.612 -4.103 -2.658 1.00 0.00 C ATOM 848 SD MET A 56 -15.460 -5.596 -2.168 1.00 0.00 S ATOM 849 CE MET A 56 -16.954 -4.894 -1.488 1.00 0.00 C ATOM 0 H MET A 56 -16.814 -4.580 -5.166 1.00 0.00 H new ATOM 0 HA MET A 56 -16.066 -2.403 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.876 -4.926 -4.634 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.646 -3.681 -4.540 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.582 -4.127 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.088 -3.237 -2.198 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.603 -5.694 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 56 -16.701 -4.235 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 56 -17.472 -4.323 -2.259 1.00 0.00 H new ATOM 859 N LYS A 57 -14.569 -2.342 -6.690 1.00 0.00 N ATOM 860 CA LYS A 57 -13.906 -1.471 -7.645 1.00 0.00 C ATOM 861 C LYS A 57 -14.685 -0.159 -7.757 1.00 0.00 C ATOM 862 O LYS A 57 -14.153 0.910 -7.462 1.00 0.00 O ATOM 863 CB LYS A 57 -13.715 -2.188 -8.983 1.00 0.00 C ATOM 864 CG LYS A 57 -12.526 -3.149 -8.925 1.00 0.00 C ATOM 865 CD LYS A 57 -11.982 -3.434 -10.326 1.00 0.00 C ATOM 866 CE LYS A 57 -11.931 -4.938 -10.600 1.00 0.00 C ATOM 867 NZ LYS A 57 -13.150 -5.377 -11.316 1.00 0.00 N ATOM 0 H LYS A 57 -14.680 -3.308 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.903 -1.220 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.621 -2.739 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.556 -1.454 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.738 -2.721 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.831 -4.083 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.612 -2.947 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.983 -3.009 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.048 -5.176 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.839 -5.482 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.099 -6.400 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.988 -5.168 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.221 -4.871 -12.222 1.00 0.00 H new ATOM 881 N MET A 58 -15.933 -0.283 -8.184 1.00 0.00 N ATOM 882 CA MET A 58 -16.791 0.880 -8.339 1.00 0.00 C ATOM 883 C MET A 58 -16.786 1.737 -7.071 1.00 0.00 C ATOM 884 O MET A 58 -16.450 2.920 -7.118 1.00 0.00 O ATOM 885 CB MET A 58 -18.219 0.424 -8.642 1.00 0.00 C ATOM 886 CG MET A 58 -18.437 0.268 -10.148 1.00 0.00 C ATOM 887 SD MET A 58 -19.501 1.569 -10.749 1.00 0.00 S ATOM 888 CE MET A 58 -18.356 2.939 -10.732 1.00 0.00 C ATOM 0 H MET A 58 -16.371 -1.171 -8.428 1.00 0.00 H new ATOM 0 HA MET A 58 -16.410 1.482 -9.164 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.415 -0.525 -8.142 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.928 1.148 -8.241 1.00 0.00 H new ATOM 0 HG2 MET A 58 -17.479 0.301 -10.668 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.882 -0.704 -10.361 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.861 3.840 -11.082 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.993 3.097 -9.716 1.00 0.00 H new ATOM 0 HE3 MET A 58 -17.514 2.718 -11.388 1.00 0.00 H new ATOM 898 N ARG A 59 -17.162 1.107 -5.968 1.00 0.00 N ATOM 899 CA ARG A 59 -17.205 1.797 -4.690 1.00 0.00 C ATOM 900 C ARG A 59 -15.871 2.496 -4.419 1.00 0.00 C ATOM 901 O ARG A 59 -15.800 3.724 -4.410 1.00 0.00 O ATOM 902 CB ARG A 59 -17.505 0.824 -3.548 1.00 0.00 C ATOM 903 CG ARG A 59 -18.867 0.154 -3.742 1.00 0.00 C ATOM 904 CD ARG A 59 -18.912 -1.207 -3.044 1.00 0.00 C ATOM 905 NE ARG A 59 -18.482 -1.067 -1.635 1.00 0.00 N ATOM 906 CZ ARG A 59 -18.658 -2.010 -0.699 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.258 -3.165 -1.016 1.00 0.00 N ATOM 908 NH2 ARG A 59 -18.236 -1.796 0.555 1.00 0.00 N ATOM 0 H ARG A 59 -17.440 0.126 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.003 2.537 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.725 0.064 -3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.490 1.357 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.653 0.797 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.066 0.028 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.923 -1.613 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.263 -1.913 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.023 -0.199 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.581 -3.327 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.392 -3.883 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.781 -0.916 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.370 -2.513 1.268 1.00 0.00 H new ATOM 922 N ALA A 60 -14.847 1.683 -4.204 1.00 0.00 N ATOM 923 CA ALA A 60 -13.519 2.208 -3.933 1.00 0.00 C ATOM 924 C ALA A 60 -13.236 3.379 -4.877 1.00 0.00 C ATOM 925 O ALA A 60 -12.829 4.452 -4.435 1.00 0.00 O ATOM 926 CB ALA A 60 -12.489 1.086 -4.071 1.00 0.00 C ATOM 0 H ALA A 60 -14.910 0.665 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.456 2.585 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.493 1.479 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.718 0.293 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.521 0.685 -5.084 1.00 0.00 H new ATOM 932 N LYS A 61 -13.463 3.133 -6.159 1.00 0.00 N ATOM 933 CA LYS A 61 -13.237 4.153 -7.168 1.00 0.00 C ATOM 934 C LYS A 61 -14.090 5.381 -6.845 1.00 0.00 C ATOM 935 O LYS A 61 -13.569 6.489 -6.727 1.00 0.00 O ATOM 936 CB LYS A 61 -13.481 3.585 -8.568 1.00 0.00 C ATOM 937 CG LYS A 61 -13.130 4.613 -9.645 1.00 0.00 C ATOM 938 CD LYS A 61 -14.069 4.492 -10.847 1.00 0.00 C ATOM 939 CE LYS A 61 -13.612 5.395 -11.994 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.681 5.523 -13.010 1.00 0.00 N ATOM 0 H LYS A 61 -13.801 2.242 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.196 4.476 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.881 2.686 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.526 3.290 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.195 5.618 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.099 4.468 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.100 3.456 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.083 4.761 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.350 6.380 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.713 4.983 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.355 6.139 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.912 4.583 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.529 5.937 -12.572 1.00 0.00 H new ATOM 954 N GLN A 62 -15.386 5.143 -6.712 1.00 0.00 N ATOM 955 CA GLN A 62 -16.316 6.217 -6.404 1.00 0.00 C ATOM 956 C GLN A 62 -15.745 7.116 -5.306 1.00 0.00 C ATOM 957 O GLN A 62 -15.769 8.340 -5.426 1.00 0.00 O ATOM 958 CB GLN A 62 -17.683 5.659 -6.001 1.00 0.00 C ATOM 959 CG GLN A 62 -18.587 5.487 -7.223 1.00 0.00 C ATOM 960 CD GLN A 62 -18.793 6.820 -7.945 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.341 7.029 -9.058 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.501 7.707 -7.251 1.00 0.00 N ATOM 0 H GLN A 62 -15.815 4.223 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.456 6.819 -7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.555 4.699 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.157 6.330 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.145 4.763 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.551 5.085 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -19.850 7.467 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.695 8.627 -7.647 1.00 0.00 H new ATOM 971 N LEU A 63 -15.245 6.474 -4.260 1.00 0.00 N ATOM 972 CA LEU A 63 -14.669 7.201 -3.142 1.00 0.00 C ATOM 973 C LEU A 63 -13.550 8.110 -3.652 1.00 0.00 C ATOM 974 O LEU A 63 -13.660 9.334 -3.585 1.00 0.00 O ATOM 975 CB LEU A 63 -14.222 6.231 -2.046 1.00 0.00 C ATOM 976 CG LEU A 63 -13.400 6.838 -0.907 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.212 7.885 -0.143 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.855 5.747 0.017 1.00 0.00 C ATOM 0 H LEU A 63 -15.227 5.459 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.417 7.845 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.109 5.764 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.635 5.437 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.541 7.351 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.605 8.301 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.509 8.683 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.102 7.418 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.275 6.205 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.685 5.185 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.217 5.072 -0.554 1.00 0.00 H new ATOM 990 N LEU A 64 -12.498 7.478 -4.152 1.00 0.00 N ATOM 991 CA LEU A 64 -11.360 8.215 -4.673 1.00 0.00 C ATOM 992 C LEU A 64 -11.861 9.406 -5.492 1.00 0.00 C ATOM 993 O LEU A 64 -11.291 10.494 -5.425 1.00 0.00 O ATOM 994 CB LEU A 64 -10.428 7.283 -5.450 1.00 0.00 C ATOM 995 CG LEU A 64 -9.509 6.397 -4.607 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.750 6.622 -3.113 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.657 4.925 -4.996 1.00 0.00 C ATOM 0 H LEU A 64 -12.410 6.463 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.761 8.618 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.037 6.640 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.809 7.889 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.477 6.682 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.084 5.980 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.553 7.665 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.785 6.381 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.993 4.318 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.688 4.609 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.396 4.798 -6.047 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.922 9.160 -6.246 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.507 10.199 -7.077 1.00 0.00 C ATOM 1011 C VAL A 65 -14.030 11.326 -6.185 1.00 0.00 C ATOM 1012 O VAL A 65 -13.582 12.467 -6.292 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.587 9.601 -7.980 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.050 10.615 -9.028 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.096 8.313 -8.644 1.00 0.00 C ATOM 0 H VAL A 65 -13.392 8.256 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.753 10.630 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.444 9.350 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.818 10.164 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.460 11.493 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.203 10.911 -9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.883 7.909 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.215 8.528 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.839 7.583 -7.876 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.971 10.967 -5.324 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.560 11.934 -4.413 1.00 0.00 C ATOM 1027 C ALA A 66 -14.452 12.592 -3.588 1.00 0.00 C ATOM 1028 O ALA A 66 -14.429 13.813 -3.436 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.605 11.240 -3.537 1.00 0.00 C ATOM 0 H ALA A 66 -15.340 10.020 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.070 12.722 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.047 11.965 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.385 10.815 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.129 10.445 -2.964 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.561 11.755 -3.078 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.454 12.240 -2.273 1.00 0.00 C ATOM 1037 C TRP A 67 -11.620 13.187 -3.138 1.00 0.00 C ATOM 1038 O TRP A 67 -10.983 14.105 -2.623 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.639 11.077 -1.704 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.281 11.489 -1.132 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.018 12.013 0.073 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.003 11.390 -1.795 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.670 12.257 0.235 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.033 11.867 -0.937 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.678 10.913 -3.077 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.673 11.913 -1.268 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.315 10.966 -3.392 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.325 11.443 -2.540 1.00 0.00 C ATOM 0 H TRP A 67 -13.583 10.743 -3.207 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.820 12.791 -1.406 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.219 10.590 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.482 10.338 -2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.767 12.218 0.823 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.223 12.651 1.063 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.421 10.536 -3.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.932 12.291 -0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.011 10.611 -4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.293 11.451 -2.858 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.650 12.931 -4.438 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.904 13.750 -5.379 1.00 0.00 C ATOM 1061 C GLN A 68 -11.691 15.017 -5.719 1.00 0.00 C ATOM 1062 O GLN A 68 -11.106 16.082 -5.913 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.564 12.959 -6.644 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.760 13.814 -7.625 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.225 12.965 -8.780 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -9.711 13.014 -9.898 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.199 12.186 -8.449 1.00 0.00 N ATOM 0 H GLN A 68 -12.179 12.169 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.965 14.044 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.993 12.069 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.482 12.617 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.389 14.613 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.930 14.289 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.840 12.193 -7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.771 11.581 -9.150 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.005 14.861 -5.782 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.878 15.979 -6.096 1.00 0.00 C ATOM 1078 C ASP A 69 -13.935 16.928 -4.897 1.00 0.00 C ATOM 1079 O ASP A 69 -14.056 18.140 -5.065 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.302 15.501 -6.388 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.156 16.476 -7.201 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.662 17.599 -7.442 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.285 16.077 -7.561 1.00 0.00 O ATOM 0 H ASP A 69 -13.487 13.976 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.478 16.482 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.249 14.554 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.804 15.303 -5.441 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.845 16.340 -3.713 1.00 0.00 N ATOM 1089 CA GLN A 70 -13.884 17.118 -2.486 1.00 0.00 C ATOM 1090 C GLN A 70 -12.601 17.938 -2.336 1.00 0.00 C ATOM 1091 O GLN A 70 -12.643 19.167 -2.323 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.104 16.215 -1.271 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.410 16.785 -0.032 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.126 16.348 1.247 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.310 16.055 1.257 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -13.344 16.321 2.323 1.00 0.00 N ATOM 0 H GLN A 70 -13.745 15.334 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.727 17.807 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.172 16.111 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.720 15.217 -1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.373 16.450 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.392 17.873 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.360 16.579 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.728 16.043 3.226 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.490 17.224 -2.225 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.197 17.870 -2.076 1.00 0.00 C ATOM 1107 C GLU A 71 -9.930 18.801 -3.260 1.00 0.00 C ATOM 1108 O GLU A 71 -9.332 19.864 -3.095 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.081 16.834 -1.930 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.258 16.013 -0.651 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.257 16.446 0.422 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.069 16.090 0.266 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -8.702 17.124 1.373 1.00 0.00 O ATOM 0 H GLU A 71 -11.459 16.205 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.214 18.468 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.080 16.171 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.114 17.336 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.274 16.133 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.123 14.954 -0.873 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.385 18.369 -4.426 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.202 19.151 -5.637 1.00 0.00 C ATOM 1122 C GLY A 72 -8.824 18.895 -6.252 1.00 0.00 C ATOM 1123 O GLY A 72 -8.499 17.763 -6.606 1.00 0.00 O ATOM 0 H GLY A 72 -10.880 17.487 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.979 18.898 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.311 20.211 -5.409 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.052 19.966 -6.361 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.717 19.872 -6.927 1.00 0.00 C ATOM 1129 C VAL A 73 -5.710 19.608 -5.806 1.00 0.00 C ATOM 1130 O VAL A 73 -4.512 19.831 -5.978 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.400 21.135 -7.731 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.490 21.413 -8.768 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -6.201 22.338 -6.808 1.00 0.00 C ATOM 0 H VAL A 73 -8.325 20.904 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.655 19.035 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.465 20.966 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.240 22.316 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.562 20.570 -9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.446 21.551 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.977 23.222 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.111 22.510 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.373 22.141 -6.127 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.232 19.138 -4.683 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.394 18.842 -3.534 1.00 0.00 C ATOM 1145 C HIS A 74 -5.246 17.326 -3.384 1.00 0.00 C ATOM 1146 O HIS A 74 -4.228 16.844 -2.891 1.00 0.00 O ATOM 1147 CB HIS A 74 -5.942 19.512 -2.273 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.208 20.990 -2.430 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.638 21.946 -1.607 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.987 21.666 -3.323 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -6.063 23.139 -1.995 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.899 22.964 -3.058 1.00 0.00 N ATOM 0 H HIS A 74 -7.226 18.955 -4.544 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.398 19.256 -3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.868 19.015 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.233 19.365 -1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.575 21.221 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.794 24.085 -1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.378 23.708 -3.566 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.279 16.618 -3.817 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.277 15.167 -3.736 1.00 0.00 C ATOM 1162 C ALA A 75 -4.947 14.632 -4.272 1.00 0.00 C ATOM 1163 O ALA A 75 -4.789 14.447 -5.477 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.480 14.612 -4.502 1.00 0.00 C ATOM 0 H ALA A 75 -7.122 17.022 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.370 14.840 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.479 13.524 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.400 14.999 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.419 14.918 -5.547 1.00 0.00 H new ATOM 1170 N THR A 76 -4.026 14.399 -3.349 1.00 0.00 N ATOM 1171 CA THR A 76 -2.715 13.889 -3.713 1.00 0.00 C ATOM 1172 C THR A 76 -2.523 12.472 -3.168 1.00 0.00 C ATOM 1173 O THR A 76 -3.243 12.048 -2.265 1.00 0.00 O ATOM 1174 CB THR A 76 -1.665 14.881 -3.209 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.085 15.187 -1.883 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.730 16.224 -3.940 1.00 0.00 C ATOM 0 H THR A 76 -4.161 14.554 -2.350 1.00 0.00 H new ATOM 0 HA THR A 76 -2.610 13.804 -4.795 1.00 0.00 H new ATOM 0 HB THR A 76 -0.671 14.450 -3.329 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.333 15.565 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.964 16.891 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.559 16.067 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.713 16.672 -3.792 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.522 11.761 -3.753 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.227 10.401 -3.336 1.00 0.00 C ATOM 1186 C PRO A 77 -0.497 10.387 -1.991 1.00 0.00 C ATOM 1187 O PRO A 77 -0.566 9.405 -1.254 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.400 9.813 -4.467 1.00 0.00 C ATOM 1189 CG PRO A 77 0.129 11.000 -5.257 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.649 12.232 -4.825 1.00 0.00 C ATOM 0 HA PRO A 77 -2.126 9.808 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.418 9.207 -4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.007 9.163 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.194 11.137 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.011 10.830 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.018 13.020 -4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.225 12.647 -5.652 1.00 0.00 H new ATOM 1198 N GLU A 78 0.186 11.488 -1.714 1.00 0.00 N ATOM 1199 CA GLU A 78 0.929 11.614 -0.471 1.00 0.00 C ATOM 1200 C GLU A 78 -0.031 11.824 0.702 1.00 0.00 C ATOM 1201 O GLU A 78 0.167 11.264 1.779 1.00 0.00 O ATOM 1202 CB GLU A 78 1.948 12.752 -0.554 1.00 0.00 C ATOM 1203 CG GLU A 78 3.132 12.498 0.381 1.00 0.00 C ATOM 1204 CD GLU A 78 3.358 13.688 1.316 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.357 14.137 1.915 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.526 14.121 1.410 1.00 0.00 O ATOM 0 H GLU A 78 0.241 12.300 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 78 1.480 10.688 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.305 12.851 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.468 13.695 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.949 11.599 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.032 12.317 -0.207 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.052 12.631 0.453 1.00 0.00 N ATOM 1214 CA ASN A 79 -2.043 12.921 1.475 1.00 0.00 C ATOM 1215 C ASN A 79 -2.910 11.681 1.705 1.00 0.00 C ATOM 1216 O ASN A 79 -3.369 11.439 2.820 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.961 14.066 1.042 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.221 15.405 1.075 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.254 15.591 1.794 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.729 16.323 0.258 1.00 0.00 N ATOM 0 H ASN A 79 -1.214 13.093 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.516 13.206 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.334 13.877 0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.829 14.110 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.306 17.250 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.541 16.100 -0.317 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.108 10.930 0.632 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.911 9.721 0.703 1.00 0.00 C ATOM 1229 C LEU A 80 -3.096 8.610 1.368 1.00 0.00 C ATOM 1230 O LEU A 80 -3.607 7.883 2.219 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.442 9.348 -0.682 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.510 8.253 -0.719 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.742 8.661 0.091 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.868 7.884 -2.160 1.00 0.00 C ATOM 0 H LEU A 80 -2.726 11.135 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.792 9.886 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.854 10.245 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.601 9.029 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.098 7.359 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.486 7.865 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.455 8.834 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.165 9.575 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.629 7.104 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.252 8.764 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.978 7.521 -2.674 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.840 8.513 0.956 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.949 7.503 1.501 1.00 0.00 C ATOM 1248 C ILE A 81 -0.846 7.685 3.017 1.00 0.00 C ATOM 1249 O ILE A 81 -0.948 6.717 3.769 1.00 0.00 O ATOM 1250 CB ILE A 81 0.402 7.538 0.784 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.333 6.799 -0.554 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.514 6.993 1.683 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.667 6.884 -1.297 1.00 0.00 C ATOM 0 H ILE A 81 -1.419 9.118 0.251 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.351 6.505 1.326 1.00 0.00 H new ATOM 0 HB ILE A 81 0.645 8.578 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.074 5.754 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.458 7.227 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.464 7.029 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.582 7.600 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.289 5.962 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.590 6.351 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.911 7.929 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.451 6.433 -0.689 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.645 8.931 3.419 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.528 9.251 4.832 1.00 0.00 C ATOM 1267 C ASN A 82 -1.699 8.626 5.591 1.00 0.00 C ATOM 1268 O ASN A 82 -1.503 7.984 6.622 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.570 10.764 5.059 1.00 0.00 C ATOM 1270 CG ASN A 82 0.679 11.242 5.802 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.645 11.700 5.215 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.605 11.109 7.124 1.00 0.00 N ATOM 0 H ASN A 82 -0.560 9.731 2.792 1.00 0.00 H new ATOM 0 HA ASN A 82 0.424 8.859 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.646 11.277 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.460 11.025 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.388 11.399 7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.234 10.717 7.551 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.892 8.836 5.053 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.095 8.301 5.667 1.00 0.00 C ATOM 1281 C ALA A 83 -4.007 6.774 5.706 1.00 0.00 C ATOM 1282 O ALA A 83 -4.205 6.163 6.755 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.323 8.795 4.900 1.00 0.00 C ATOM 0 H ALA A 83 -3.051 9.370 4.198 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.190 8.652 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.226 8.394 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.355 9.884 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.264 8.460 3.864 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.709 6.201 4.549 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.592 4.757 4.437 1.00 0.00 C ATOM 1291 C LEU A 84 -2.776 4.223 5.616 1.00 0.00 C ATOM 1292 O LEU A 84 -3.121 3.198 6.201 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.025 4.369 3.070 1.00 0.00 C ATOM 1294 CG LEU A 84 -3.948 4.598 1.872 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.147 4.684 0.571 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.037 3.525 1.805 1.00 0.00 C ATOM 0 H LEU A 84 -3.545 6.711 3.681 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.575 4.290 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.105 4.931 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.753 3.314 3.098 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.449 5.557 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.827 4.847 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.442 5.513 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.601 3.753 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.679 3.712 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.575 2.543 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.634 3.555 2.716 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.707 4.942 5.928 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.839 4.553 7.026 1.00 0.00 C ATOM 1310 C ASN A 85 -1.666 4.431 8.307 1.00 0.00 C ATOM 1311 O ASN A 85 -1.890 3.328 8.804 1.00 0.00 O ATOM 1312 CB ASN A 85 0.250 5.601 7.265 1.00 0.00 C ATOM 1313 CG ASN A 85 1.639 5.023 6.982 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.260 4.394 7.822 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.088 5.271 5.755 1.00 0.00 N ATOM 0 H ASN A 85 -1.423 5.791 5.440 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.374 3.602 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.075 6.465 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.202 5.953 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.005 4.927 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.516 5.805 5.101 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.099 5.580 8.805 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.897 5.616 10.019 1.00 0.00 C ATOM 1324 C LYS A 86 -4.094 4.675 9.865 1.00 0.00 C ATOM 1325 O LYS A 86 -4.515 4.038 10.830 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.287 7.056 10.362 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.044 7.709 9.204 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.244 9.205 9.454 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.132 9.442 10.677 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.133 10.875 11.047 1.00 0.00 N ATOM 0 H LYS A 86 -1.912 6.493 8.390 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.315 5.257 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.908 7.065 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.392 7.635 10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.492 7.562 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.013 7.225 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.277 9.685 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.697 9.667 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.150 9.115 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.774 8.844 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.741 11.018 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.163 11.177 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.496 11.439 10.252 1.00 0.00 H new ATOM 1344 N SER A 87 -4.608 4.618 8.646 1.00 0.00 N ATOM 1345 CA SER A 87 -5.748 3.765 8.353 1.00 0.00 C ATOM 1346 C SER A 87 -5.349 2.294 8.488 1.00 0.00 C ATOM 1347 O SER A 87 -6.204 1.410 8.451 1.00 0.00 O ATOM 1348 CB SER A 87 -6.296 4.040 6.952 1.00 0.00 C ATOM 1349 OG SER A 87 -5.727 3.172 5.976 1.00 0.00 O ATOM 0 H SER A 87 -4.256 5.149 7.849 1.00 0.00 H new ATOM 0 HA SER A 87 -6.536 3.989 9.072 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.379 3.920 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.091 5.075 6.680 1.00 0.00 H new ATOM 0 HG SER A 87 -4.816 2.929 6.245 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.051 2.077 8.642 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.529 0.729 8.782 1.00 0.00 C ATOM 1357 C GLY A 88 -3.582 -0.021 7.450 1.00 0.00 C ATOM 1358 O GLY A 88 -3.729 -1.242 7.426 1.00 0.00 O ATOM 0 H GLY A 88 -3.345 2.813 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.500 0.769 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.107 0.188 9.531 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.460 0.741 6.373 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.493 0.163 5.040 1.00 0.00 C ATOM 1364 C LEU A 89 -2.092 0.225 4.428 1.00 0.00 C ATOM 1365 O LEU A 89 -1.943 0.474 3.233 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.566 0.843 4.188 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.931 0.153 4.153 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.155 -0.685 5.413 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.054 1.168 3.932 1.00 0.00 C ATOM 0 H LEU A 89 -3.338 1.753 6.396 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.775 -0.889 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.704 1.860 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.195 0.922 3.166 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.945 -0.532 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.133 -1.164 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.380 -1.448 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.112 -0.040 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.013 0.651 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.052 1.896 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.898 1.682 2.983 1.00 0.00 H new ATOM 1381 N SER A 90 -1.100 -0.007 5.276 1.00 0.00 N ATOM 1382 CA SER A 90 0.284 0.019 4.833 1.00 0.00 C ATOM 1383 C SER A 90 0.397 -0.590 3.434 1.00 0.00 C ATOM 1384 O SER A 90 1.237 -0.173 2.638 1.00 0.00 O ATOM 1385 CB SER A 90 1.189 -0.730 5.813 1.00 0.00 C ATOM 1386 OG SER A 90 0.576 -1.918 6.305 1.00 0.00 O ATOM 0 H SER A 90 -1.227 -0.214 6.267 1.00 0.00 H new ATOM 0 HA SER A 90 0.613 1.058 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.127 -0.984 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.436 -0.077 6.650 1.00 0.00 H new ATOM 0 HG SER A 90 1.186 -2.368 6.926 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.460 -1.567 3.177 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.467 -2.237 1.888 1.00 0.00 C ATOM 1394 C ASP A 91 -0.542 -1.190 0.774 1.00 0.00 C ATOM 1395 O ASP A 91 0.361 -1.097 -0.056 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.680 -3.159 1.753 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.580 -4.200 0.636 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.814 -5.169 0.831 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.271 -4.004 -0.387 1.00 0.00 O ATOM 0 H ASP A 91 -1.155 -1.911 3.840 1.00 0.00 H new ATOM 0 HA ASP A 91 0.445 -2.828 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.830 -3.677 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.565 -2.547 1.581 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.627 -0.430 0.792 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.831 0.606 -0.206 1.00 0.00 C ATOM 1406 C LEU A 92 -0.645 1.572 -0.182 1.00 0.00 C ATOM 1407 O LEU A 92 0.060 1.719 -1.179 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.184 1.289 0.001 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.352 0.724 -0.810 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.603 1.560 -2.066 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.125 -0.753 -1.141 1.00 0.00 C ATOM 0 H LEU A 92 -2.374 -0.511 1.482 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.868 0.171 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.440 1.230 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.076 2.346 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.253 0.783 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.438 1.137 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.840 2.585 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.710 1.555 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.969 -1.131 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.211 -0.859 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.033 -1.323 -0.217 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.461 2.205 0.967 1.00 0.00 N ATOM 1424 CA ALA A 93 0.628 3.153 1.133 1.00 0.00 C ATOM 1425 C ALA A 93 1.868 2.631 0.406 1.00 0.00 C ATOM 1426 O ALA A 93 2.614 3.405 -0.192 1.00 0.00 O ATOM 1427 CB ALA A 93 0.881 3.383 2.625 1.00 0.00 C ATOM 0 H ALA A 93 -1.047 2.080 1.792 1.00 0.00 H new ATOM 0 HA ALA A 93 0.369 4.116 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.698 4.094 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.021 3.781 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.147 2.438 3.099 1.00 0.00 H new ATOM 1433 N GLU A 94 2.052 1.320 0.480 1.00 0.00 N ATOM 1434 CA GLU A 94 3.189 0.686 -0.164 1.00 0.00 C ATOM 1435 C GLU A 94 2.922 0.512 -1.660 1.00 0.00 C ATOM 1436 O GLU A 94 3.757 0.872 -2.489 1.00 0.00 O ATOM 1437 CB GLU A 94 3.513 -0.657 0.495 1.00 0.00 C ATOM 1438 CG GLU A 94 4.639 -0.507 1.520 1.00 0.00 C ATOM 1439 CD GLU A 94 5.994 -0.345 0.826 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.529 -1.382 0.378 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.463 0.811 0.761 1.00 0.00 O ATOM 0 H GLU A 94 1.432 0.680 0.977 1.00 0.00 H new ATOM 0 HA GLU A 94 4.058 1.332 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.622 -1.051 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.804 -1.379 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.445 0.358 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.662 -1.381 2.171 1.00 0.00 H new ATOM 1448 N SER A 95 1.756 -0.039 -1.961 1.00 0.00 N ATOM 1449 CA SER A 95 1.369 -0.264 -3.344 1.00 0.00 C ATOM 1450 C SER A 95 1.511 1.031 -4.145 1.00 0.00 C ATOM 1451 O SER A 95 2.051 1.025 -5.250 1.00 0.00 O ATOM 1452 CB SER A 95 -0.065 -0.791 -3.436 1.00 0.00 C ATOM 1453 OG SER A 95 -0.195 -2.089 -2.863 1.00 0.00 O ATOM 0 H SER A 95 1.066 -0.337 -1.271 1.00 0.00 H new ATOM 0 HA SER A 95 2.033 -1.019 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.738 -0.101 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.373 -0.824 -4.481 1.00 0.00 H new ATOM 0 HG SER A 95 -0.064 -2.033 -1.893 1.00 0.00 H new ATOM 1459 N LEU A 96 1.018 2.111 -3.556 1.00 0.00 N ATOM 1460 CA LEU A 96 1.084 3.411 -4.201 1.00 0.00 C ATOM 1461 C LEU A 96 2.549 3.796 -4.416 1.00 0.00 C ATOM 1462 O LEU A 96 2.953 4.118 -5.532 1.00 0.00 O ATOM 1463 CB LEU A 96 0.287 4.445 -3.404 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.236 4.359 -3.526 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.681 4.548 -4.978 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.760 3.050 -2.933 1.00 0.00 C ATOM 0 H LEU A 96 0.571 2.112 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 96 0.617 3.372 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.553 4.347 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.601 5.439 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.672 5.173 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.767 4.482 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.357 5.526 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.236 3.770 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.845 3.014 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.319 2.207 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.490 2.995 -1.878 1.00 0.00 H new ATOM 1478 N THR A 97 3.305 3.749 -3.329 1.00 0.00 N ATOM 1479 CA THR A 97 4.717 4.089 -3.384 1.00 0.00 C ATOM 1480 C THR A 97 5.546 2.863 -3.772 1.00 0.00 C ATOM 1481 O THR A 97 6.737 2.795 -3.474 1.00 0.00 O ATOM 1482 CB THR A 97 5.112 4.688 -2.033 1.00 0.00 C ATOM 1483 OG1 THR A 97 6.017 5.736 -2.369 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.952 3.727 -1.190 1.00 0.00 C ATOM 0 H THR A 97 2.967 3.481 -2.405 1.00 0.00 H new ATOM 0 HA THR A 97 4.915 4.833 -4.155 1.00 0.00 H new ATOM 0 HB THR A 97 4.213 4.964 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.518 6.569 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.205 4.201 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.383 2.817 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.867 3.477 -1.727 1.00 0.00 H new ATOM 1492 N ASN A 98 4.882 1.923 -4.429 1.00 0.00 N ATOM 1493 CA ASN A 98 5.542 0.703 -4.860 1.00 0.00 C ATOM 1494 C ASN A 98 6.969 1.030 -5.304 1.00 0.00 C ATOM 1495 O ASN A 98 7.238 2.131 -5.781 1.00 0.00 O ATOM 1496 CB ASN A 98 4.811 0.070 -6.046 1.00 0.00 C ATOM 1497 CG ASN A 98 4.383 -1.363 -5.724 1.00 0.00 C ATOM 1498 OD1 ASN A 98 5.195 -2.248 -5.510 1.00 0.00 O ATOM 1499 ND2 ASN A 98 3.065 -1.541 -5.702 1.00 0.00 N ATOM 0 H ASN A 98 3.893 1.982 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 98 5.541 0.005 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.935 0.667 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.461 0.071 -6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.678 -2.462 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.441 -0.756 -5.890 1.00 0.00 H new ATOM 1506 N ASP A 99 7.848 0.053 -5.131 1.00 0.00 N ATOM 1507 CA ASP A 99 9.240 0.223 -5.508 1.00 0.00 C ATOM 1508 C ASP A 99 9.555 -0.681 -6.702 1.00 0.00 C ATOM 1509 O ASP A 99 9.959 -1.829 -6.526 1.00 0.00 O ATOM 1510 CB ASP A 99 10.174 -0.168 -4.360 1.00 0.00 C ATOM 1511 CG ASP A 99 10.279 0.862 -3.234 1.00 0.00 C ATOM 1512 OD1 ASP A 99 9.363 1.708 -3.150 1.00 0.00 O ATOM 1513 OD2 ASP A 99 11.274 0.780 -2.481 1.00 0.00 O ATOM 0 H ASP A 99 7.622 -0.859 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 99 9.395 1.273 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.831 -1.112 -3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.170 -0.344 -4.766 1.00 0.00 H new ATOM 1518 N ASN A 100 9.359 -0.128 -7.890 1.00 0.00 N ATOM 1519 CA ASN A 100 9.617 -0.870 -9.112 1.00 0.00 C ATOM 1520 C ASN A 100 9.007 -0.119 -10.298 1.00 0.00 C ATOM 1521 O ASN A 100 8.204 0.795 -10.112 1.00 0.00 O ATOM 1522 CB ASN A 100 8.982 -2.261 -9.057 1.00 0.00 C ATOM 1523 CG ASN A 100 7.552 -2.189 -8.518 1.00 0.00 C ATOM 1524 OD1 ASN A 100 6.603 -1.916 -9.235 1.00 0.00 O ATOM 1525 ND2 ASN A 100 7.450 -2.450 -7.217 1.00 0.00 N ATOM 0 H ASN A 100 9.025 0.825 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 100 10.697 -0.971 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.977 -2.702 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.581 -2.914 -8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.537 -2.428 -6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.285 -2.672 -6.674 1.00 0.00 H new ATOM 1532 N GLU A 101 9.412 -0.531 -11.490 1.00 0.00 N ATOM 1533 CA GLU A 101 8.915 0.091 -12.705 1.00 0.00 C ATOM 1534 C GLU A 101 7.411 0.348 -12.594 1.00 0.00 C ATOM 1535 O GLU A 101 6.926 1.403 -13.001 1.00 0.00 O ATOM 1536 CB GLU A 101 9.236 -0.767 -13.931 1.00 0.00 C ATOM 1537 CG GLU A 101 10.391 -0.166 -14.734 1.00 0.00 C ATOM 1538 CD GLU A 101 10.218 -0.437 -16.230 1.00 0.00 C ATOM 1539 OE1 GLU A 101 9.832 -1.579 -16.559 1.00 0.00 O ATOM 1540 OE2 GLU A 101 10.477 0.504 -17.011 1.00 0.00 O ATOM 0 H GLU A 101 10.079 -1.288 -11.640 1.00 0.00 H new ATOM 0 HA GLU A 101 9.419 1.049 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.496 -1.777 -13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.352 -0.848 -14.564 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.440 0.909 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.336 -0.588 -14.391 1.00 0.00 H new ATOM 1547 N THR A 102 6.715 -0.634 -12.041 1.00 0.00 N ATOM 1548 CA THR A 102 5.276 -0.527 -11.871 1.00 0.00 C ATOM 1549 C THR A 102 4.587 -0.393 -13.230 1.00 0.00 C ATOM 1550 O THR A 102 4.103 -1.379 -13.785 1.00 0.00 O ATOM 1551 CB THR A 102 4.996 0.646 -10.930 1.00 0.00 C ATOM 1552 OG1 THR A 102 5.240 0.115 -9.630 1.00 0.00 O ATOM 1553 CG2 THR A 102 3.517 1.035 -10.902 1.00 0.00 C ATOM 0 H THR A 102 7.121 -1.507 -11.705 1.00 0.00 H new ATOM 0 HA THR A 102 4.864 -1.429 -11.420 1.00 0.00 H new ATOM 0 HB THR A 102 5.591 1.506 -11.236 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.615 -0.787 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.374 1.872 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.198 1.325 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.924 0.185 -10.564 1.00 0.00 H new ATOM 1561 N ASN A 103 4.564 0.834 -13.728 1.00 0.00 N ATOM 1562 CA ASN A 103 3.942 1.110 -15.012 1.00 0.00 C ATOM 1563 C ASN A 103 4.804 2.109 -15.787 1.00 0.00 C ATOM 1564 O ASN A 103 5.471 2.953 -15.190 1.00 0.00 O ATOM 1565 CB ASN A 103 2.553 1.725 -14.830 1.00 0.00 C ATOM 1566 CG ASN A 103 1.495 0.924 -15.593 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.790 -0.016 -16.312 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.250 1.348 -15.396 1.00 0.00 N ATOM 0 H ASN A 103 4.966 1.649 -13.265 1.00 0.00 H new ATOM 0 HA ASN A 103 3.851 0.168 -15.552 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.299 1.752 -13.770 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.559 2.756 -15.183 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.528 0.879 -15.860 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.073 2.142 -14.780 1.00 0.00 H new ATOM 1575 N SER A 104 4.762 1.980 -17.105 1.00 0.00 N ATOM 1576 CA SER A 104 5.530 2.861 -17.968 1.00 0.00 C ATOM 1577 C SER A 104 4.598 3.851 -18.669 1.00 0.00 C ATOM 1578 O SER A 104 4.079 3.564 -19.746 1.00 0.00 O ATOM 1579 CB SER A 104 6.329 2.062 -19.000 1.00 0.00 C ATOM 1580 OG SER A 104 7.619 2.623 -19.228 1.00 0.00 O ATOM 0 H SER A 104 4.208 1.278 -17.596 1.00 0.00 H new ATOM 0 HA SER A 104 6.237 3.414 -17.349 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.437 1.033 -18.657 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.777 2.029 -19.939 1.00 0.00 H new ATOM 0 HG SER A 104 8.098 2.083 -19.891 1.00 0.00 H new ATOM 1586 N SER A 105 4.413 4.996 -18.028 1.00 0.00 N ATOM 1587 CA SER A 105 3.553 6.030 -18.577 1.00 0.00 C ATOM 1588 C SER A 105 4.176 7.408 -18.344 1.00 0.00 C ATOM 1589 O SER A 105 5.157 7.534 -17.613 1.00 0.00 O ATOM 1590 CB SER A 105 2.155 5.969 -17.958 1.00 0.00 C ATOM 1591 OG SER A 105 1.187 5.465 -18.874 1.00 0.00 O ATOM 0 H SER A 105 4.844 5.230 -17.134 1.00 0.00 H new ATOM 0 HA SER A 105 3.455 5.859 -19.649 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.179 5.336 -17.071 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.860 6.966 -17.631 1.00 0.00 H new ATOM 0 HG SER A 105 0.308 5.440 -18.441 1.00 0.00 H new ATOM 1597 N GLY A 106 3.581 8.406 -18.980 1.00 0.00 N ATOM 1598 CA GLY A 106 4.065 9.770 -18.851 1.00 0.00 C ATOM 1599 C GLY A 106 2.917 10.774 -18.970 1.00 0.00 C ATOM 1600 O GLY A 106 1.825 10.538 -18.455 1.00 0.00 O ATOM 0 H GLY A 106 2.768 8.297 -19.586 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.562 9.893 -17.889 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.809 9.970 -19.622 1.00 0.00 H new ATOM 1604 N PRO A 107 3.210 11.902 -19.672 1.00 0.00 N ATOM 1605 CA PRO A 107 2.214 12.942 -19.865 1.00 0.00 C ATOM 1606 C PRO A 107 1.177 12.521 -20.909 1.00 0.00 C ATOM 1607 O PRO A 107 1.528 12.197 -22.042 1.00 0.00 O ATOM 1608 CB PRO A 107 3.006 14.172 -20.278 1.00 0.00 C ATOM 1609 CG PRO A 107 4.357 13.660 -20.749 1.00 0.00 C ATOM 1610 CD PRO A 107 4.492 12.215 -20.296 1.00 0.00 C ATOM 0 HA PRO A 107 1.634 13.141 -18.964 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.496 14.716 -21.073 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.120 14.862 -19.442 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.434 13.729 -21.834 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.161 14.267 -20.333 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.695 11.553 -21.138 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.315 12.096 -19.591 1.00 0.00 H new ATOM 1618 N SER A 108 -0.079 12.540 -20.489 1.00 0.00 N ATOM 1619 CA SER A 108 -1.170 12.165 -21.373 1.00 0.00 C ATOM 1620 C SER A 108 -2.504 12.623 -20.781 1.00 0.00 C ATOM 1621 O SER A 108 -2.708 12.552 -19.571 1.00 0.00 O ATOM 1622 CB SER A 108 -1.187 10.654 -21.614 1.00 0.00 C ATOM 1623 OG SER A 108 -1.563 9.931 -20.446 1.00 0.00 O ATOM 0 H SER A 108 -0.366 12.809 -19.548 1.00 0.00 H new ATOM 0 HA SER A 108 -1.018 12.658 -22.333 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.881 10.424 -22.422 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.199 10.328 -21.940 1.00 0.00 H new ATOM 0 HG SER A 108 -1.563 8.971 -20.642 1.00 0.00 H new ATOM 1629 N SER A 109 -3.379 13.084 -21.664 1.00 0.00 N ATOM 1630 CA SER A 109 -4.688 13.554 -21.244 1.00 0.00 C ATOM 1631 C SER A 109 -4.537 14.749 -20.301 1.00 0.00 C ATOM 1632 O SER A 109 -3.500 14.913 -19.661 1.00 0.00 O ATOM 1633 CB SER A 109 -5.482 12.437 -20.563 1.00 0.00 C ATOM 1634 OG SER A 109 -6.510 11.923 -21.405 1.00 0.00 O ATOM 0 H SER A 109 -3.207 13.142 -22.668 1.00 0.00 H new ATOM 0 HA SER A 109 -5.240 13.866 -22.130 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.805 11.630 -20.283 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.924 12.816 -19.642 1.00 0.00 H new ATOM 0 HG SER A 109 -6.993 11.211 -20.935 1.00 0.00 H new ATOM 1640 N GLY A 110 -5.588 15.554 -20.245 1.00 0.00 N ATOM 1641 CA GLY A 110 -5.586 16.730 -19.391 1.00 0.00 C ATOM 1642 C GLY A 110 -6.084 17.961 -20.151 1.00 0.00 C ATOM 1643 O GLY A 110 -6.560 17.847 -21.280 1.00 0.00 O ATOM 0 H GLY A 110 -6.447 15.415 -20.777 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.220 16.554 -18.522 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.578 16.912 -19.019 1.00 0.00 H new TER 1647 GLY A 110