USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 889 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 29 HIS : no HE2:sc= -1.98 K(o=-2.8,f=-12!) USER MOD Set 1.2: A 31 SER OG : rot -76:sc= 0.535 USER MOD Set 1.3: A 64 GLN : amide:sc= -1.38 K(o=-2.8,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0476 (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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00656 X(o=-0.0066,f=-0.09) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0106) USER MOD Single : A 22 GLN : amide:sc=-0.00804 K(o=-0.008,f=-1.5!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 35 HIS :FLIP no HE2:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 36:sc= 1.25 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -161:sc= -1.63 (180deg=-2.62!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -109:sc= -4.11! (180deg=-6.57!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 135:sc= -4.53! (180deg=-9.72!) USER MOD Single : A 78 MET CE :methyl 166:sc= -1.32 (180deg=-1.99) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.0985 F(o=-0.79,f=-0.098) USER MOD Single : A 82 CYS SG : rot -6:sc= -0.258 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0032) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0965 X(o=-0.096,f=-0.49) USER MOD Single : A 93 CYS SG : rot -56:sc= -0.394 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 160:sc= -0.0993 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.0585 (180deg=-0.428) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= -0.764 (180deg=-1.94!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 40:sc= 0.445 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.274 40.270 16.784 1.00 0.00 N ATOM 2 CA GLY A 1 -9.998 38.846 16.802 1.00 0.00 C ATOM 3 C GLY A 1 -10.485 38.145 15.549 1.00 0.00 C ATOM 4 O GLY A 1 -10.682 38.779 14.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.396 40.796 16.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.649 40.539 15.852 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.975 40.497 17.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.925 38.688 16.909 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.474 38.398 17.674 1.00 0.00 H new ATOM 8 N SER A 2 -10.678 36.833 15.643 1.00 0.00 N ATOM 9 CA SER A 2 -11.140 36.045 14.507 1.00 0.00 C ATOM 10 C SER A 2 -12.117 34.964 14.958 1.00 0.00 C ATOM 11 O SER A 2 -12.011 34.436 16.065 1.00 0.00 O ATOM 12 CB SER A 2 -9.952 35.406 13.786 1.00 0.00 C ATOM 13 OG SER A 2 -10.149 35.400 12.383 1.00 0.00 O ATOM 0 H SER A 2 -10.521 36.294 16.494 1.00 0.00 H new ATOM 0 HA SER A 2 -11.657 36.713 13.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.040 35.953 14.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.814 34.385 14.141 1.00 0.00 H new ATOM 0 HG SER A 2 -9.375 34.988 11.946 1.00 0.00 H new ATOM 19 N SER A 3 -13.072 34.640 14.092 1.00 0.00 N ATOM 20 CA SER A 3 -14.072 33.624 14.400 1.00 0.00 C ATOM 21 C SER A 3 -14.762 33.137 13.130 1.00 0.00 C ATOM 22 O SER A 3 -14.450 33.587 12.028 1.00 0.00 O ATOM 23 CB SER A 3 -15.111 34.182 15.376 1.00 0.00 C ATOM 24 OG SER A 3 -15.686 35.378 14.881 1.00 0.00 O ATOM 0 H SER A 3 -13.174 35.067 13.171 1.00 0.00 H new ATOM 0 HA SER A 3 -13.564 32.778 14.863 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.893 33.441 15.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.642 34.373 16.341 1.00 0.00 H new ATOM 0 HG SER A 3 -16.347 35.713 15.522 1.00 0.00 H new ATOM 30 N GLY A 4 -15.705 32.213 13.292 1.00 0.00 N ATOM 31 CA GLY A 4 -16.425 31.680 12.151 1.00 0.00 C ATOM 32 C GLY A 4 -17.928 31.804 12.304 1.00 0.00 C ATOM 33 O GLY A 4 -18.421 32.766 12.893 1.00 0.00 O ATOM 0 H GLY A 4 -15.983 31.825 14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.110 32.205 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.162 30.631 12.017 1.00 0.00 H new ATOM 37 N SER A 5 -18.658 30.830 11.771 1.00 0.00 N ATOM 38 CA SER A 5 -20.114 30.837 11.846 1.00 0.00 C ATOM 39 C SER A 5 -20.675 29.427 11.684 1.00 0.00 C ATOM 40 O SER A 5 -21.095 29.036 10.595 1.00 0.00 O ATOM 41 CB SER A 5 -20.698 31.756 10.771 1.00 0.00 C ATOM 42 OG SER A 5 -21.477 32.788 11.350 1.00 0.00 O ATOM 0 H SER A 5 -18.265 30.026 11.282 1.00 0.00 H new ATOM 0 HA SER A 5 -20.399 31.212 12.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.890 32.192 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.313 31.173 10.085 1.00 0.00 H new ATOM 0 HG SER A 5 -21.837 33.362 10.642 1.00 0.00 H new ATOM 48 N SER A 6 -20.676 28.669 12.776 1.00 0.00 N ATOM 49 CA SER A 6 -21.180 27.301 12.754 1.00 0.00 C ATOM 50 C SER A 6 -21.556 26.839 14.159 1.00 0.00 C ATOM 51 O SER A 6 -20.728 26.849 15.070 1.00 0.00 O ATOM 52 CB SER A 6 -20.133 26.357 12.159 1.00 0.00 C ATOM 53 OG SER A 6 -20.729 25.429 11.270 1.00 0.00 O ATOM 0 H SER A 6 -20.334 28.979 13.686 1.00 0.00 H new ATOM 0 HA SER A 6 -22.074 27.280 12.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.375 26.936 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.624 25.822 12.961 1.00 0.00 H new ATOM 0 HG SER A 6 -20.039 24.839 10.902 1.00 0.00 H new ATOM 59 N GLY A 7 -22.812 26.435 14.327 1.00 0.00 N ATOM 60 CA GLY A 7 -23.277 25.975 15.622 1.00 0.00 C ATOM 61 C GLY A 7 -22.425 24.851 16.178 1.00 0.00 C ATOM 62 O GLY A 7 -21.522 25.085 16.982 1.00 0.00 O ATOM 0 H GLY A 7 -23.516 26.418 13.589 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.274 26.810 16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.309 25.635 15.534 1.00 0.00 H new ATOM 66 N LYS A 8 -22.711 23.626 15.751 1.00 0.00 N ATOM 67 CA LYS A 8 -21.966 22.461 16.211 1.00 0.00 C ATOM 68 C LYS A 8 -21.433 21.655 15.031 1.00 0.00 C ATOM 69 O LYS A 8 -20.631 20.736 15.204 1.00 0.00 O ATOM 70 CB LYS A 8 -22.855 21.574 17.087 1.00 0.00 C ATOM 71 CG LYS A 8 -24.152 21.160 16.414 1.00 0.00 C ATOM 72 CD LYS A 8 -25.332 21.262 17.366 1.00 0.00 C ATOM 73 CE LYS A 8 -26.602 20.708 16.740 1.00 0.00 C ATOM 74 NZ LYS A 8 -27.233 21.684 15.808 1.00 0.00 N ATOM 0 H LYS A 8 -23.455 23.414 15.086 1.00 0.00 H new ATOM 0 HA LYS A 8 -21.119 22.813 16.801 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.299 20.679 17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -23.088 22.106 18.010 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.330 21.792 15.544 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.064 20.136 16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.109 20.717 18.283 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.487 22.304 17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.370 19.789 16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.310 20.447 17.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.096 21.269 15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.477 22.551 16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -26.567 21.914 15.043 1.00 0.00 H new ATOM 88 N LYS A 9 -21.882 22.006 13.831 1.00 0.00 N ATOM 89 CA LYS A 9 -21.448 21.317 12.620 1.00 0.00 C ATOM 90 C LYS A 9 -21.404 19.809 12.838 1.00 0.00 C ATOM 91 O LYS A 9 -20.349 19.223 13.084 1.00 0.00 O ATOM 92 CB LYS A 9 -20.068 21.821 12.189 1.00 0.00 C ATOM 93 CG LYS A 9 -19.569 21.196 10.898 1.00 0.00 C ATOM 94 CD LYS A 9 -18.084 21.451 10.693 1.00 0.00 C ATOM 95 CE LYS A 9 -17.244 20.302 11.228 1.00 0.00 C ATOM 96 NZ LYS A 9 -16.117 20.786 12.073 1.00 0.00 N ATOM 0 H LYS A 9 -22.546 22.763 13.670 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.170 21.531 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.107 22.903 12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.351 21.615 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.756 20.122 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.129 21.602 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.880 21.589 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.800 22.376 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.875 19.632 11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.850 19.721 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.568 19.973 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.501 21.405 11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.494 21.319 12.883 1.00 0.00 H new ATOM 110 N PRO A 10 -22.575 19.162 12.745 1.00 0.00 N ATOM 111 CA PRO A 10 -22.697 17.713 12.927 1.00 0.00 C ATOM 112 C PRO A 10 -22.062 16.930 11.783 1.00 0.00 C ATOM 113 O PRO A 10 -21.432 15.896 12.001 1.00 0.00 O ATOM 114 CB PRO A 10 -24.209 17.483 12.956 1.00 0.00 C ATOM 115 CG PRO A 10 -24.781 18.627 12.192 1.00 0.00 C ATOM 116 CD PRO A 10 -23.872 19.797 12.455 1.00 0.00 C ATOM 0 HA PRO A 10 -22.183 17.372 13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.473 16.530 12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -24.587 17.461 13.978 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.827 18.401 11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -25.799 18.843 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.811 20.460 11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.222 20.397 13.295 1.00 0.00 H new ATOM 124 N GLU A 11 -22.232 17.431 10.563 1.00 0.00 N ATOM 125 CA GLU A 11 -21.675 16.777 9.385 1.00 0.00 C ATOM 126 C GLU A 11 -22.058 17.529 8.113 1.00 0.00 C ATOM 127 O GLU A 11 -23.235 17.776 7.855 1.00 0.00 O ATOM 128 CB GLU A 11 -22.163 15.330 9.300 1.00 0.00 C ATOM 129 CG GLU A 11 -21.068 14.338 8.939 1.00 0.00 C ATOM 130 CD GLU A 11 -20.750 14.333 7.457 1.00 0.00 C ATOM 131 OE1 GLU A 11 -21.520 13.722 6.687 1.00 0.00 O ATOM 132 OE2 GLU A 11 -19.731 14.940 7.067 1.00 0.00 O ATOM 0 H GLU A 11 -22.751 18.287 10.365 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.589 16.783 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.598 15.045 10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.958 15.267 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.165 14.580 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.374 13.337 9.244 1.00 0.00 H new ATOM 139 N GLY A 12 -21.052 17.892 7.321 1.00 0.00 N ATOM 140 CA GLY A 12 -21.303 18.613 6.088 1.00 0.00 C ATOM 141 C GLY A 12 -21.654 17.690 4.938 1.00 0.00 C ATOM 142 O GLY A 12 -21.117 16.588 4.830 1.00 0.00 O ATOM 0 H GLY A 12 -20.069 17.699 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -22.118 19.320 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.420 19.196 5.825 1.00 0.00 H new ATOM 146 N LYS A 13 -22.560 18.139 4.076 1.00 0.00 N ATOM 147 CA LYS A 13 -22.985 17.347 2.928 1.00 0.00 C ATOM 148 C LYS A 13 -23.986 18.118 2.074 1.00 0.00 C ATOM 149 O LYS A 13 -25.194 17.894 2.137 1.00 0.00 O ATOM 150 CB LYS A 13 -23.606 16.027 3.395 1.00 0.00 C ATOM 151 CG LYS A 13 -23.530 14.920 2.358 1.00 0.00 C ATOM 152 CD LYS A 13 -23.227 13.577 2.998 1.00 0.00 C ATOM 153 CE LYS A 13 -23.077 12.482 1.954 1.00 0.00 C ATOM 154 NZ LYS A 13 -21.742 11.825 2.026 1.00 0.00 N ATOM 0 H LYS A 13 -23.015 19.049 4.151 1.00 0.00 H new ATOM 0 HA LYS A 13 -22.106 17.134 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -23.101 15.698 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -24.650 16.198 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -24.474 14.861 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.758 15.158 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.311 13.651 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.027 13.314 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.858 11.735 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.220 12.906 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.680 11.085 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.998 12.533 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -21.615 11.398 2.966 1.00 0.00 H new ATOM 168 N PRO A 14 -23.472 19.048 1.254 1.00 0.00 N ATOM 169 CA PRO A 14 -24.304 19.870 0.371 1.00 0.00 C ATOM 170 C PRO A 14 -24.914 19.061 -0.769 1.00 0.00 C ATOM 171 O PRO A 14 -24.857 17.831 -0.770 1.00 0.00 O ATOM 172 CB PRO A 14 -23.322 20.908 -0.176 1.00 0.00 C ATOM 173 CG PRO A 14 -21.988 20.251 -0.088 1.00 0.00 C ATOM 174 CD PRO A 14 -22.041 19.368 1.127 1.00 0.00 C ATOM 0 HA PRO A 14 -25.154 20.303 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -23.563 21.178 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -23.350 21.827 0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -21.780 19.668 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -21.193 20.992 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -21.438 18.469 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -21.664 19.880 2.012 1.00 0.00 H new ATOM 182 N ASP A 15 -25.495 19.758 -1.739 1.00 0.00 N ATOM 183 CA ASP A 15 -26.114 19.104 -2.885 1.00 0.00 C ATOM 184 C ASP A 15 -25.509 19.610 -4.192 1.00 0.00 C ATOM 185 O ASP A 15 -26.217 20.134 -5.052 1.00 0.00 O ATOM 186 CB ASP A 15 -27.625 19.343 -2.882 1.00 0.00 C ATOM 187 CG ASP A 15 -28.297 18.781 -1.646 1.00 0.00 C ATOM 188 OD1 ASP A 15 -27.596 18.565 -0.635 1.00 0.00 O ATOM 189 OD2 ASP A 15 -29.525 18.555 -1.689 1.00 0.00 O ATOM 0 H ASP A 15 -25.550 20.776 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 15 -25.923 18.034 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -27.821 20.414 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -28.064 18.887 -3.770 1.00 0.00 H new ATOM 194 N GLN A 16 -24.196 19.452 -4.330 1.00 0.00 N ATOM 195 CA GLN A 16 -23.497 19.895 -5.530 1.00 0.00 C ATOM 196 C GLN A 16 -22.069 19.361 -5.557 1.00 0.00 C ATOM 197 O GLN A 16 -21.676 18.655 -6.485 1.00 0.00 O ATOM 198 CB GLN A 16 -23.484 21.424 -5.603 1.00 0.00 C ATOM 199 CG GLN A 16 -23.769 21.969 -6.993 1.00 0.00 C ATOM 200 CD GLN A 16 -22.585 21.826 -7.930 1.00 0.00 C ATOM 201 OE1 GLN A 16 -22.682 21.185 -8.977 1.00 0.00 O ATOM 202 NE2 GLN A 16 -21.459 22.423 -7.558 1.00 0.00 N ATOM 0 H GLN A 16 -23.596 19.021 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 16 -24.029 19.501 -6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -24.225 21.819 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -22.511 21.787 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -24.627 21.446 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -24.043 23.021 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.423 22.944 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.630 22.361 -8.148 1.00 0.00 H new ATOM 211 N LYS A 17 -21.296 19.702 -4.532 1.00 0.00 N ATOM 212 CA LYS A 17 -19.911 19.257 -4.436 1.00 0.00 C ATOM 213 C LYS A 17 -19.819 17.739 -4.546 1.00 0.00 C ATOM 214 O LYS A 17 -20.711 17.018 -4.098 1.00 0.00 O ATOM 215 CB LYS A 17 -19.295 19.721 -3.114 1.00 0.00 C ATOM 216 CG LYS A 17 -18.498 21.008 -3.234 1.00 0.00 C ATOM 217 CD LYS A 17 -18.709 21.909 -2.028 1.00 0.00 C ATOM 218 CE LYS A 17 -19.306 23.248 -2.431 1.00 0.00 C ATOM 219 NZ LYS A 17 -18.280 24.165 -3.001 1.00 0.00 N ATOM 0 H LYS A 17 -21.606 20.286 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.356 19.698 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.090 19.863 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.645 18.935 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.438 20.773 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.793 21.537 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.369 21.415 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.757 22.071 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.096 23.087 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.768 23.716 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.727 25.067 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.538 24.339 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.857 23.730 -3.846 1.00 0.00 H new ATOM 233 N PHE A 18 -18.735 17.258 -5.145 1.00 0.00 N ATOM 234 CA PHE A 18 -18.526 15.824 -5.314 1.00 0.00 C ATOM 235 C PHE A 18 -19.801 15.143 -5.805 1.00 0.00 C ATOM 236 O PHE A 18 -20.767 15.808 -6.180 1.00 0.00 O ATOM 237 CB PHE A 18 -18.075 15.194 -3.994 1.00 0.00 C ATOM 238 CG PHE A 18 -19.163 15.121 -2.962 1.00 0.00 C ATOM 239 CD1 PHE A 18 -20.016 14.029 -2.910 1.00 0.00 C ATOM 240 CD2 PHE A 18 -19.335 16.143 -2.042 1.00 0.00 C ATOM 241 CE1 PHE A 18 -21.018 13.959 -1.962 1.00 0.00 C ATOM 242 CE2 PHE A 18 -20.336 16.078 -1.091 1.00 0.00 C ATOM 243 CZ PHE A 18 -21.178 14.985 -1.051 1.00 0.00 C ATOM 0 H PHE A 18 -17.987 17.840 -5.522 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.747 15.681 -6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.702 14.188 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.242 15.770 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.895 13.224 -3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.679 17.001 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.676 13.103 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.459 16.882 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 18 -21.961 14.932 -0.309 1.00 0.00 H new ATOM 253 N ASP A 19 -19.794 13.815 -5.802 1.00 0.00 N ATOM 254 CA ASP A 19 -20.948 13.043 -6.247 1.00 0.00 C ATOM 255 C ASP A 19 -20.957 12.907 -7.767 1.00 0.00 C ATOM 256 O ASP A 19 -22.012 12.962 -8.397 1.00 0.00 O ATOM 257 CB ASP A 19 -22.243 13.704 -5.774 1.00 0.00 C ATOM 258 CG ASP A 19 -23.367 12.705 -5.583 1.00 0.00 C ATOM 259 OD1 ASP A 19 -23.812 12.115 -6.588 1.00 0.00 O ATOM 260 OD2 ASP A 19 -23.802 12.514 -4.427 1.00 0.00 O ATOM 0 H ASP A 19 -19.002 13.250 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 19 -20.878 12.046 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -22.060 14.224 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -22.549 14.457 -6.500 1.00 0.00 H new ATOM 265 N GLN A 20 -19.774 12.729 -8.347 1.00 0.00 N ATOM 266 CA GLN A 20 -19.647 12.586 -9.792 1.00 0.00 C ATOM 267 C GLN A 20 -18.388 11.806 -10.154 1.00 0.00 C ATOM 268 O GLN A 20 -17.604 11.433 -9.281 1.00 0.00 O ATOM 269 CB GLN A 20 -19.619 13.962 -10.461 1.00 0.00 C ATOM 270 CG GLN A 20 -20.560 14.081 -11.648 1.00 0.00 C ATOM 271 CD GLN A 20 -21.467 15.293 -11.554 1.00 0.00 C ATOM 272 OE1 GLN A 20 -22.136 15.504 -10.542 1.00 0.00 O ATOM 273 NE2 GLN A 20 -21.495 16.095 -12.611 1.00 0.00 N ATOM 0 H GLN A 20 -18.891 12.680 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.512 12.031 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.881 14.721 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.602 14.175 -10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.975 14.140 -12.566 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.170 13.180 -11.715 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.924 15.881 -13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.088 16.925 -12.606 1.00 0.00 H new ATOM 282 N LYS A 21 -18.200 11.562 -11.446 1.00 0.00 N ATOM 283 CA LYS A 21 -17.036 10.826 -11.924 1.00 0.00 C ATOM 284 C LYS A 21 -16.167 11.704 -12.820 1.00 0.00 C ATOM 285 O LYS A 21 -16.617 12.175 -13.864 1.00 0.00 O ATOM 286 CB LYS A 21 -17.475 9.575 -12.689 1.00 0.00 C ATOM 287 CG LYS A 21 -17.882 8.423 -11.788 1.00 0.00 C ATOM 288 CD LYS A 21 -17.264 7.113 -12.246 1.00 0.00 C ATOM 289 CE LYS A 21 -18.288 5.988 -12.258 1.00 0.00 C ATOM 290 NZ LYS A 21 -18.799 5.688 -10.891 1.00 0.00 N ATOM 0 H LYS A 21 -18.839 11.863 -12.181 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.447 10.526 -11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.313 9.831 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.660 9.250 -13.335 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.573 8.634 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.968 8.331 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.846 7.236 -13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.439 6.848 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.121 6.262 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.837 5.091 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.469 4.894 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.003 5.435 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.282 6.526 -10.509 1.00 0.00 H new ATOM 304 N GLN A 22 -14.923 11.918 -12.405 1.00 0.00 N ATOM 305 CA GLN A 22 -13.994 12.738 -13.172 1.00 0.00 C ATOM 306 C GLN A 22 -12.568 12.573 -12.656 1.00 0.00 C ATOM 307 O GLN A 22 -11.659 12.236 -13.414 1.00 0.00 O ATOM 308 CB GLN A 22 -14.404 14.210 -13.105 1.00 0.00 C ATOM 309 CG GLN A 22 -14.584 14.855 -14.470 1.00 0.00 C ATOM 310 CD GLN A 22 -14.683 16.365 -14.393 1.00 0.00 C ATOM 311 OE1 GLN A 22 -14.394 16.967 -13.358 1.00 0.00 O ATOM 312 NE2 GLN A 22 -15.093 16.989 -15.492 1.00 0.00 N ATOM 0 H GLN A 22 -14.536 11.535 -11.543 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.027 12.405 -14.209 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.337 14.294 -12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.649 14.764 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.745 14.582 -15.110 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.485 14.459 -14.939 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.322 16.452 -16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.178 18.005 -15.500 1.00 0.00 H new ATOM 321 N GLU A 23 -12.380 12.811 -11.361 1.00 0.00 N ATOM 322 CA GLU A 23 -11.065 12.689 -10.745 1.00 0.00 C ATOM 323 C GLU A 23 -11.086 11.665 -9.614 1.00 0.00 C ATOM 324 O GLU A 23 -10.820 11.994 -8.458 1.00 0.00 O ATOM 325 CB GLU A 23 -10.599 14.045 -10.211 1.00 0.00 C ATOM 326 CG GLU A 23 -11.519 14.630 -9.153 1.00 0.00 C ATOM 327 CD GLU A 23 -11.629 16.140 -9.246 1.00 0.00 C ATOM 328 OE1 GLU A 23 -12.129 16.636 -10.278 1.00 0.00 O ATOM 329 OE2 GLU A 23 -11.216 16.825 -8.288 1.00 0.00 O ATOM 0 H GLU A 23 -13.122 13.089 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.366 12.347 -11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.599 13.937 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.522 14.746 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.511 14.190 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.150 14.356 -8.164 1.00 0.00 H new ATOM 336 N LEU A 24 -11.405 10.421 -9.957 1.00 0.00 N ATOM 337 CA LEU A 24 -11.463 9.348 -8.971 1.00 0.00 C ATOM 338 C LEU A 24 -10.093 9.112 -8.343 1.00 0.00 C ATOM 339 O LEU A 24 -9.928 9.224 -7.128 1.00 0.00 O ATOM 340 CB LEU A 24 -11.966 8.058 -9.621 1.00 0.00 C ATOM 341 CG LEU A 24 -13.478 7.831 -9.580 1.00 0.00 C ATOM 342 CD1 LEU A 24 -13.936 7.541 -8.160 1.00 0.00 C ATOM 343 CD2 LEU A 24 -14.213 9.039 -10.143 1.00 0.00 C ATOM 0 H LEU A 24 -11.627 10.131 -10.909 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.157 9.647 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.646 8.051 -10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.479 7.214 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.713 6.965 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.014 7.382 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.434 6.646 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.688 8.386 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.288 8.861 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.971 9.921 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.907 9.202 -11.177 1.00 0.00 H new ATOM 355 N GLY A 25 -9.112 8.786 -9.178 1.00 0.00 N ATOM 356 CA GLY A 25 -7.768 8.542 -8.686 1.00 0.00 C ATOM 357 C GLY A 25 -7.652 7.222 -7.949 1.00 0.00 C ATOM 358 O GLY A 25 -8.214 7.055 -6.867 1.00 0.00 O ATOM 0 H GLY A 25 -9.223 8.686 -10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.071 8.550 -9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.475 9.354 -8.020 1.00 0.00 H new ATOM 362 N ARG A 26 -6.920 6.280 -8.537 1.00 0.00 N ATOM 363 CA ARG A 26 -6.735 4.968 -7.931 1.00 0.00 C ATOM 364 C ARG A 26 -5.308 4.805 -7.414 1.00 0.00 C ATOM 365 O ARG A 26 -4.373 4.616 -8.192 1.00 0.00 O ATOM 366 CB ARG A 26 -7.051 3.866 -8.944 1.00 0.00 C ATOM 367 CG ARG A 26 -6.473 4.124 -10.325 1.00 0.00 C ATOM 368 CD ARG A 26 -7.555 4.532 -11.314 1.00 0.00 C ATOM 369 NE ARG A 26 -7.075 5.528 -12.269 1.00 0.00 N ATOM 370 CZ ARG A 26 -7.822 6.026 -13.248 1.00 0.00 C ATOM 371 NH1 ARG A 26 -9.077 5.625 -13.399 1.00 0.00 N ATOM 372 NH2 ARG A 26 -7.315 6.930 -14.077 1.00 0.00 N ATOM 0 H ARG A 26 -6.446 6.402 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.421 4.884 -7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.665 2.918 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.133 3.759 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.719 4.909 -10.264 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.970 3.226 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.904 3.651 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.410 4.933 -10.771 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.114 5.859 -12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.471 4.932 -12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.648 6.009 -14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.351 7.243 -13.963 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.889 7.312 -14.828 1.00 0.00 H new ATOM 386 N VAL A 27 -5.149 4.879 -6.096 1.00 0.00 N ATOM 387 CA VAL A 27 -3.838 4.740 -5.475 1.00 0.00 C ATOM 388 C VAL A 27 -3.896 3.804 -4.273 1.00 0.00 C ATOM 389 O VAL A 27 -4.628 4.054 -3.315 1.00 0.00 O ATOM 390 CB VAL A 27 -3.282 6.103 -5.024 1.00 0.00 C ATOM 391 CG1 VAL A 27 -2.047 5.917 -4.157 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.970 6.976 -6.231 1.00 0.00 C ATOM 0 H VAL A 27 -5.913 5.035 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.174 4.318 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.042 6.606 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.669 6.892 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.307 5.332 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.279 5.393 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.578 7.936 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.228 6.480 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.881 7.138 -6.808 1.00 0.00 H new ATOM 402 N ILE A 28 -3.120 2.728 -4.330 1.00 0.00 N ATOM 403 CA ILE A 28 -3.082 1.755 -3.245 1.00 0.00 C ATOM 404 C ILE A 28 -2.057 2.152 -2.187 1.00 0.00 C ATOM 405 O ILE A 28 -0.850 2.072 -2.416 1.00 0.00 O ATOM 406 CB ILE A 28 -2.747 0.345 -3.764 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.835 -0.141 -4.724 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.589 -0.624 -2.601 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.110 -0.565 -4.028 1.00 0.00 C ATOM 0 H ILE A 28 -2.509 2.507 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.076 1.742 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.803 0.389 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.065 0.655 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.450 -0.981 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.352 -1.617 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.783 -0.284 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.519 -0.666 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.836 -0.897 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.894 -1.382 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.519 0.279 -3.472 1.00 0.00 H new ATOM 421 N HIS A 29 -2.548 2.578 -1.027 1.00 0.00 N ATOM 422 CA HIS A 29 -1.674 2.985 0.068 1.00 0.00 C ATOM 423 C HIS A 29 -1.298 1.789 0.936 1.00 0.00 C ATOM 424 O HIS A 29 -2.157 1.174 1.571 1.00 0.00 O ATOM 425 CB HIS A 29 -2.355 4.056 0.921 1.00 0.00 C ATOM 426 CG HIS A 29 -1.442 4.697 1.920 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.848 5.699 2.776 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.137 4.473 2.198 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.832 6.064 3.537 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.219 5.334 3.206 1.00 0.00 N ATOM 0 H HIS A 29 -3.544 2.650 -0.821 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.762 3.400 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.761 4.827 0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.198 3.608 1.447 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.787 6.096 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.505 3.751 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.856 6.828 4.300 1.00 0.00 H new ATOM 438 N LEU A 30 -0.011 1.462 0.961 1.00 0.00 N ATOM 439 CA LEU A 30 0.479 0.339 1.751 1.00 0.00 C ATOM 440 C LEU A 30 1.244 0.827 2.977 1.00 0.00 C ATOM 441 O LEU A 30 2.179 1.621 2.861 1.00 0.00 O ATOM 442 CB LEU A 30 1.378 -0.558 0.897 1.00 0.00 C ATOM 443 CG LEU A 30 0.783 -1.038 -0.426 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.885 -1.493 -1.372 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.214 -2.163 -0.186 1.00 0.00 C ATOM 0 H LEU A 30 0.713 1.960 0.442 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.382 -0.237 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.300 -0.017 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.652 -1.432 1.488 1.00 0.00 H new ATOM 0 HG LEU A 30 0.255 -0.204 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.443 -1.832 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.562 -0.661 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.441 -2.312 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.628 -2.492 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.290 -2.999 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.020 -1.805 0.455 1.00 0.00 H new ATOM 457 N SER A 31 0.844 0.346 4.148 1.00 0.00 N ATOM 458 CA SER A 31 1.492 0.735 5.396 1.00 0.00 C ATOM 459 C SER A 31 1.950 -0.493 6.176 1.00 0.00 C ATOM 460 O SER A 31 1.571 -1.620 5.859 1.00 0.00 O ATOM 461 CB SER A 31 0.536 1.570 6.253 1.00 0.00 C ATOM 462 OG SER A 31 0.174 2.769 5.590 1.00 0.00 O ATOM 0 H SER A 31 0.074 -0.314 4.260 1.00 0.00 H new ATOM 0 HA SER A 31 2.368 1.335 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.359 0.989 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.009 1.806 7.206 1.00 0.00 H new ATOM 0 HG SER A 31 0.916 3.407 5.640 1.00 0.00 H new ATOM 468 N ASN A 32 2.768 -0.266 7.199 1.00 0.00 N ATOM 469 CA ASN A 32 3.280 -1.353 8.025 1.00 0.00 C ATOM 470 C ASN A 32 3.923 -2.436 7.162 1.00 0.00 C ATOM 471 O ASN A 32 3.638 -3.623 7.323 1.00 0.00 O ATOM 472 CB ASN A 32 2.153 -1.958 8.864 1.00 0.00 C ATOM 473 CG ASN A 32 2.659 -2.567 10.158 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.145 -1.861 11.041 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.546 -3.885 10.274 1.00 0.00 N ATOM 0 H ASN A 32 3.090 0.661 7.476 1.00 0.00 H new ATOM 0 HA ASN A 32 4.040 -0.943 8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.418 -1.186 9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.640 -2.723 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.869 -4.352 11.121 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.136 -4.430 9.516 1.00 0.00 H new ATOM 482 N LEU A 33 4.790 -2.016 6.248 1.00 0.00 N ATOM 483 CA LEU A 33 5.475 -2.950 5.360 1.00 0.00 C ATOM 484 C LEU A 33 6.664 -3.598 6.062 1.00 0.00 C ATOM 485 O LEU A 33 7.251 -3.037 6.987 1.00 0.00 O ATOM 486 CB LEU A 33 5.947 -2.228 4.096 1.00 0.00 C ATOM 487 CG LEU A 33 4.847 -1.731 3.157 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.405 -0.714 2.174 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.211 -2.898 2.416 1.00 0.00 C ATOM 0 H LEU A 33 5.036 -1.037 6.102 1.00 0.00 H new ATOM 0 HA LEU A 33 4.769 -3.733 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.555 -1.374 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.597 -2.902 3.538 1.00 0.00 H new ATOM 0 HG LEU A 33 4.077 -1.244 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.608 -0.371 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.813 0.135 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.194 -1.176 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.430 -2.526 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.971 -3.414 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.775 -3.592 3.135 1.00 0.00 H new ATOM 501 N PRO A 34 7.030 -4.807 5.612 1.00 0.00 N ATOM 502 CA PRO A 34 8.153 -5.557 6.183 1.00 0.00 C ATOM 503 C PRO A 34 9.500 -4.921 5.856 1.00 0.00 C ATOM 504 O PRO A 34 9.562 -3.851 5.249 1.00 0.00 O ATOM 505 CB PRO A 34 8.037 -6.931 5.518 1.00 0.00 C ATOM 506 CG PRO A 34 7.321 -6.673 4.237 1.00 0.00 C ATOM 507 CD PRO A 34 6.376 -5.536 4.513 1.00 0.00 C ATOM 0 HA PRO A 34 8.109 -5.590 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.019 -7.369 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.485 -7.630 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.022 -6.414 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.779 -7.560 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.241 -4.904 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.388 -5.896 4.801 1.00 0.00 H new ATOM 515 N HIS A 35 10.577 -5.585 6.263 1.00 0.00 N ATOM 516 CA HIS A 35 11.924 -5.083 6.012 1.00 0.00 C ATOM 517 C HIS A 35 12.933 -6.228 5.983 1.00 0.00 C ATOM 518 O HIS A 35 13.896 -6.240 6.750 1.00 0.00 O ATOM 519 CB HIS A 35 12.320 -4.066 7.083 1.00 0.00 C ATOM 520 CG HIS A 35 13.318 -3.055 6.609 1.00 0.00 C ATOM 521 ND1 HIS A 35 14.647 -2.946 6.844 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 12.986 -1.996 5.793 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 15.089 -1.834 6.171 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 14.067 -1.279 5.544 1.00 0.00 N flip ATOM 0 H HIS A 35 10.544 -6.471 6.767 1.00 0.00 H new ATOM 0 HA HIS A 35 11.928 -4.593 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.426 -3.547 7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.732 -4.596 7.941 1.00 0.00 H new ATOM 0 HD1 HIS A 35 15.214 -3.573 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.996 -1.785 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.106 -1.472 6.156 1.00 0.00 H new ATOM 532 N SER A 36 12.705 -7.188 5.093 1.00 0.00 N ATOM 533 CA SER A 36 13.592 -8.339 4.966 1.00 0.00 C ATOM 534 C SER A 36 14.525 -8.177 3.771 1.00 0.00 C ATOM 535 O SER A 36 15.020 -9.159 3.217 1.00 0.00 O ATOM 536 CB SER A 36 12.776 -9.625 4.820 1.00 0.00 C ATOM 537 OG SER A 36 12.698 -10.323 6.051 1.00 0.00 O ATOM 0 H SER A 36 11.914 -7.192 4.449 1.00 0.00 H new ATOM 0 HA SER A 36 14.197 -8.402 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.772 -9.384 4.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.232 -10.265 4.064 1.00 0.00 H new ATOM 0 HG SER A 36 12.170 -11.140 5.931 1.00 0.00 H new ATOM 543 N GLY A 37 14.762 -6.929 3.377 1.00 0.00 N ATOM 544 CA GLY A 37 15.635 -6.660 2.250 1.00 0.00 C ATOM 545 C GLY A 37 15.065 -7.167 0.940 1.00 0.00 C ATOM 546 O GLY A 37 15.788 -7.727 0.116 1.00 0.00 O ATOM 0 H GLY A 37 14.365 -6.100 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.807 -5.586 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.604 -7.127 2.426 1.00 0.00 H new ATOM 550 N TYR A 38 13.764 -6.974 0.749 1.00 0.00 N ATOM 551 CA TYR A 38 13.097 -7.421 -0.468 1.00 0.00 C ATOM 552 C TYR A 38 13.139 -6.336 -1.541 1.00 0.00 C ATOM 553 O TYR A 38 13.571 -5.213 -1.287 1.00 0.00 O ATOM 554 CB TYR A 38 11.645 -7.800 -0.168 1.00 0.00 C ATOM 555 CG TYR A 38 10.900 -6.758 0.635 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.939 -6.763 2.023 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.158 -5.767 0.004 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.259 -5.813 2.760 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.476 -4.812 0.732 1.00 0.00 C ATOM 560 CZ TYR A 38 9.529 -4.840 2.110 1.00 0.00 C ATOM 561 OH TYR A 38 8.851 -3.890 2.841 1.00 0.00 O ATOM 0 H TYR A 38 13.151 -6.512 1.421 1.00 0.00 H new ATOM 0 HA TYR A 38 13.626 -8.298 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.120 -7.965 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.630 -8.745 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.511 -7.523 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.114 -5.743 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.299 -5.832 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.905 -4.048 0.226 1.00 0.00 H new ATOM 0 HH TYR A 38 9.372 -3.656 3.637 1.00 0.00 H new ATOM 571 N SER A 39 12.687 -6.685 -2.742 1.00 0.00 N ATOM 572 CA SER A 39 12.676 -5.745 -3.856 1.00 0.00 C ATOM 573 C SER A 39 11.283 -5.157 -4.058 1.00 0.00 C ATOM 574 O SER A 39 10.301 -5.654 -3.503 1.00 0.00 O ATOM 575 CB SER A 39 13.141 -6.436 -5.140 1.00 0.00 C ATOM 576 OG SER A 39 13.897 -5.552 -5.949 1.00 0.00 O ATOM 0 H SER A 39 12.324 -7.611 -2.968 1.00 0.00 H new ATOM 0 HA SER A 39 13.363 -4.933 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.743 -7.309 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.276 -6.795 -5.698 1.00 0.00 H new ATOM 0 HG SER A 39 14.184 -6.017 -6.762 1.00 0.00 H new ATOM 582 N ASP A 40 11.204 -4.097 -4.853 1.00 0.00 N ATOM 583 CA ASP A 40 9.930 -3.441 -5.130 1.00 0.00 C ATOM 584 C ASP A 40 8.919 -4.433 -5.695 1.00 0.00 C ATOM 585 O ASP A 40 7.792 -4.530 -5.209 1.00 0.00 O ATOM 586 CB ASP A 40 10.130 -2.285 -6.110 1.00 0.00 C ATOM 587 CG ASP A 40 10.841 -2.717 -7.378 1.00 0.00 C ATOM 588 OD1 ASP A 40 12.090 -2.710 -7.390 1.00 0.00 O ATOM 589 OD2 ASP A 40 10.148 -3.062 -8.358 1.00 0.00 O ATOM 0 H ASP A 40 12.007 -3.672 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 40 9.541 -3.048 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.160 -1.859 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.706 -1.497 -5.625 1.00 0.00 H new ATOM 594 N SER A 41 9.330 -5.169 -6.723 1.00 0.00 N ATOM 595 CA SER A 41 8.458 -6.151 -7.356 1.00 0.00 C ATOM 596 C SER A 41 7.650 -6.914 -6.311 1.00 0.00 C ATOM 597 O SER A 41 6.477 -7.220 -6.521 1.00 0.00 O ATOM 598 CB SER A 41 9.282 -7.129 -8.195 1.00 0.00 C ATOM 599 OG SER A 41 9.026 -6.956 -9.578 1.00 0.00 O ATOM 0 H SER A 41 10.261 -5.104 -7.135 1.00 0.00 H new ATOM 0 HA SER A 41 7.765 -5.619 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.343 -6.978 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.045 -8.152 -7.903 1.00 0.00 H new ATOM 0 HG SER A 41 9.566 -7.592 -10.093 1.00 0.00 H new ATOM 605 N ALA A 42 8.288 -7.220 -5.186 1.00 0.00 N ATOM 606 CA ALA A 42 7.630 -7.946 -4.107 1.00 0.00 C ATOM 607 C ALA A 42 6.442 -7.160 -3.562 1.00 0.00 C ATOM 608 O ALA A 42 5.393 -7.729 -3.260 1.00 0.00 O ATOM 609 CB ALA A 42 8.621 -8.248 -2.993 1.00 0.00 C ATOM 0 H ALA A 42 9.260 -6.976 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 42 7.256 -8.887 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.116 -8.790 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.436 -8.856 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.022 -7.314 -2.600 1.00 0.00 H new ATOM 615 N VAL A 43 6.613 -5.847 -3.438 1.00 0.00 N ATOM 616 CA VAL A 43 5.554 -4.983 -2.929 1.00 0.00 C ATOM 617 C VAL A 43 4.436 -4.823 -3.953 1.00 0.00 C ATOM 618 O VAL A 43 3.288 -4.553 -3.597 1.00 0.00 O ATOM 619 CB VAL A 43 6.097 -3.591 -2.556 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.956 -2.601 -2.384 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.941 -3.669 -1.294 1.00 0.00 C ATOM 0 H VAL A 43 7.474 -5.359 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 43 5.157 -5.462 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 43 6.732 -3.239 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.359 -1.623 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.397 -2.524 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.292 -2.945 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.316 -2.676 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.332 -4.043 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.781 -4.344 -1.459 1.00 0.00 H new ATOM 631 N LEU A 44 4.778 -4.992 -5.226 1.00 0.00 N ATOM 632 CA LEU A 44 3.802 -4.867 -6.303 1.00 0.00 C ATOM 633 C LEU A 44 3.170 -6.217 -6.624 1.00 0.00 C ATOM 634 O LEU A 44 2.179 -6.295 -7.350 1.00 0.00 O ATOM 635 CB LEU A 44 4.465 -4.290 -7.554 1.00 0.00 C ATOM 636 CG LEU A 44 5.592 -3.285 -7.313 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.391 -3.064 -8.589 1.00 0.00 C ATOM 638 CD2 LEU A 44 5.030 -1.967 -6.799 1.00 0.00 C ATOM 0 H LEU A 44 5.723 -5.216 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 44 3.016 -4.189 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.862 -5.116 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.697 -3.807 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 44 6.261 -3.692 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.189 -2.346 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.824 -4.010 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.733 -2.678 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.846 -1.264 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.339 -1.554 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.502 -2.138 -5.861 1.00 0.00 H new ATOM 650 N LYS A 45 3.749 -7.282 -6.077 1.00 0.00 N ATOM 651 CA LYS A 45 3.242 -8.629 -6.302 1.00 0.00 C ATOM 652 C LYS A 45 1.821 -8.772 -5.768 1.00 0.00 C ATOM 653 O LYS A 45 1.058 -9.624 -6.225 1.00 0.00 O ATOM 654 CB LYS A 45 4.156 -9.659 -5.632 1.00 0.00 C ATOM 655 CG LYS A 45 5.115 -10.338 -6.594 1.00 0.00 C ATOM 656 CD LYS A 45 5.948 -11.398 -5.894 1.00 0.00 C ATOM 657 CE LYS A 45 5.329 -12.780 -6.040 1.00 0.00 C ATOM 658 NZ LYS A 45 5.680 -13.668 -4.898 1.00 0.00 N ATOM 0 H LYS A 45 4.571 -7.237 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 45 3.227 -8.810 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.730 -9.167 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.541 -10.418 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.553 -10.795 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.773 -9.592 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.956 -11.404 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.041 -11.150 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.245 -12.687 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.669 -13.234 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.239 -14.600 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.713 -13.777 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.333 -13.248 -4.012 1.00 0.00 H new ATOM 672 N LEU A 46 1.469 -7.932 -4.800 1.00 0.00 N ATOM 673 CA LEU A 46 0.138 -7.964 -4.205 1.00 0.00 C ATOM 674 C LEU A 46 -0.850 -7.156 -5.040 1.00 0.00 C ATOM 675 O LEU A 46 -2.033 -7.070 -4.707 1.00 0.00 O ATOM 676 CB LEU A 46 0.183 -7.418 -2.777 1.00 0.00 C ATOM 677 CG LEU A 46 1.352 -6.487 -2.452 1.00 0.00 C ATOM 678 CD1 LEU A 46 1.036 -5.642 -1.227 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.627 -7.288 -2.233 1.00 0.00 C ATOM 0 H LEU A 46 2.087 -7.220 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.198 -9.001 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.747 -6.882 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.214 -8.262 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 46 1.506 -5.820 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.879 -4.986 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.148 -5.040 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.855 -6.294 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.448 -6.609 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.484 -7.979 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.863 -7.850 -3.137 1.00 0.00 H new ATOM 691 N ALA A 47 -0.359 -6.568 -6.125 1.00 0.00 N ATOM 692 CA ALA A 47 -1.200 -5.771 -7.010 1.00 0.00 C ATOM 693 C ALA A 47 -1.015 -6.187 -8.464 1.00 0.00 C ATOM 694 O ALA A 47 -1.662 -5.646 -9.361 1.00 0.00 O ATOM 695 CB ALA A 47 -0.892 -4.291 -6.838 1.00 0.00 C ATOM 0 H ALA A 47 0.618 -6.628 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.241 -5.948 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.527 -3.707 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.083 -3.997 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.155 -4.107 -7.080 1.00 0.00 H new ATOM 701 N GLU A 48 -0.127 -7.150 -8.692 1.00 0.00 N ATOM 702 CA GLU A 48 0.143 -7.636 -10.041 1.00 0.00 C ATOM 703 C GLU A 48 -1.092 -8.309 -10.634 1.00 0.00 C ATOM 704 O GLU A 48 -1.631 -7.885 -11.656 1.00 0.00 O ATOM 705 CB GLU A 48 1.316 -8.618 -10.027 1.00 0.00 C ATOM 706 CG GLU A 48 2.621 -8.013 -10.516 1.00 0.00 C ATOM 707 CD GLU A 48 2.793 -8.135 -12.017 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.902 -9.276 -12.512 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.818 -7.088 -12.698 1.00 0.00 O ATOM 0 H GLU A 48 0.417 -7.609 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 48 0.403 -6.780 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.455 -8.990 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.067 -9.477 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.658 -6.961 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.455 -8.506 -10.017 1.00 0.00 H new ATOM 716 N PRO A 49 -1.551 -9.386 -9.978 1.00 0.00 N ATOM 717 CA PRO A 49 -2.725 -10.142 -10.422 1.00 0.00 C ATOM 718 C PRO A 49 -4.020 -9.359 -10.240 1.00 0.00 C ATOM 719 O PRO A 49 -5.109 -9.867 -10.515 1.00 0.00 O ATOM 720 CB PRO A 49 -2.715 -11.377 -9.517 1.00 0.00 C ATOM 721 CG PRO A 49 -1.986 -10.942 -8.291 1.00 0.00 C ATOM 722 CD PRO A 49 -0.957 -9.948 -8.753 1.00 0.00 C ATOM 0 HA PRO A 49 -2.681 -10.376 -11.486 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.728 -11.703 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.214 -12.217 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.668 -10.491 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.514 -11.791 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.778 -9.177 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.002 -10.426 -8.954 1.00 0.00 H new ATOM 730 N TYR A 50 -3.897 -8.120 -9.777 1.00 0.00 N ATOM 731 CA TYR A 50 -5.059 -7.267 -9.556 1.00 0.00 C ATOM 732 C TYR A 50 -5.270 -6.320 -10.734 1.00 0.00 C ATOM 733 O TYR A 50 -6.402 -6.020 -11.108 1.00 0.00 O ATOM 734 CB TYR A 50 -4.892 -6.465 -8.264 1.00 0.00 C ATOM 735 CG TYR A 50 -5.094 -7.286 -7.011 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.035 -7.971 -6.428 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.343 -7.379 -6.411 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.214 -8.723 -5.283 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.532 -8.128 -5.266 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.465 -8.798 -4.706 1.00 0.00 C ATOM 741 OH TYR A 50 -5.649 -9.546 -3.565 1.00 0.00 O ATOM 0 H TYR A 50 -3.004 -7.684 -9.547 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.937 -7.907 -9.466 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.894 -6.027 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.603 -5.638 -8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.055 -7.915 -6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.181 -6.856 -6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.380 -9.249 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.510 -8.188 -4.812 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.587 -9.493 -3.287 1.00 0.00 H new ATOM 751 N GLY A 51 -4.168 -5.852 -11.313 1.00 0.00 N ATOM 752 CA GLY A 51 -4.252 -4.943 -12.441 1.00 0.00 C ATOM 753 C GLY A 51 -2.888 -4.495 -12.927 1.00 0.00 C ATOM 754 O GLY A 51 -1.875 -4.744 -12.274 1.00 0.00 O ATOM 0 H GLY A 51 -3.219 -6.086 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.783 -5.431 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.838 -4.069 -12.157 1.00 0.00 H new ATOM 758 N LYS A 52 -2.860 -3.832 -14.078 1.00 0.00 N ATOM 759 CA LYS A 52 -1.610 -3.347 -14.652 1.00 0.00 C ATOM 760 C LYS A 52 -1.021 -2.224 -13.804 1.00 0.00 C ATOM 761 O LYS A 52 -1.681 -1.218 -13.543 1.00 0.00 O ATOM 762 CB LYS A 52 -1.841 -2.852 -16.082 1.00 0.00 C ATOM 763 CG LYS A 52 -1.487 -3.878 -17.145 1.00 0.00 C ATOM 764 CD LYS A 52 -0.516 -3.311 -18.167 1.00 0.00 C ATOM 765 CE LYS A 52 -0.853 -3.778 -19.574 1.00 0.00 C ATOM 766 NZ LYS A 52 0.343 -3.771 -20.462 1.00 0.00 N ATOM 0 H LYS A 52 -3.689 -3.618 -14.632 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.902 -4.175 -14.669 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.888 -2.570 -16.195 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.249 -1.952 -16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.047 -4.756 -16.672 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.395 -4.209 -17.649 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.540 -2.222 -18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.499 -3.616 -17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.269 -4.785 -19.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.623 -3.132 -19.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.072 -4.096 -21.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.725 -2.806 -20.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.068 -4.407 -20.073 1.00 0.00 H new ATOM 780 N ILE A 53 0.224 -2.403 -13.377 1.00 0.00 N ATOM 781 CA ILE A 53 0.903 -1.405 -12.560 1.00 0.00 C ATOM 782 C ILE A 53 1.345 -0.214 -13.403 1.00 0.00 C ATOM 783 O ILE A 53 2.386 -0.255 -14.058 1.00 0.00 O ATOM 784 CB ILE A 53 2.132 -2.000 -11.849 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.696 -3.037 -10.812 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.948 -0.898 -11.190 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.758 -4.070 -10.507 1.00 0.00 C ATOM 0 H ILE A 53 0.784 -3.230 -13.583 1.00 0.00 H new ATOM 0 HA ILE A 53 0.186 -1.071 -11.810 1.00 0.00 H new ATOM 0 HB ILE A 53 2.758 -2.495 -12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.424 -2.524 -9.889 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.800 -3.544 -11.171 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.813 -1.335 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.284 -0.191 -11.949 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.332 -0.377 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.380 -4.772 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.014 -4.609 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.647 -3.574 -10.118 1.00 0.00 H new ATOM 799 N LYS A 54 0.547 0.849 -13.382 1.00 0.00 N ATOM 800 CA LYS A 54 0.856 2.054 -14.141 1.00 0.00 C ATOM 801 C LYS A 54 1.943 2.870 -13.448 1.00 0.00 C ATOM 802 O LYS A 54 2.653 3.644 -14.088 1.00 0.00 O ATOM 803 CB LYS A 54 -0.403 2.907 -14.317 1.00 0.00 C ATOM 804 CG LYS A 54 -0.899 2.971 -15.751 1.00 0.00 C ATOM 805 CD LYS A 54 -1.447 1.630 -16.211 1.00 0.00 C ATOM 806 CE LYS A 54 -0.536 0.978 -17.239 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.857 1.419 -18.625 1.00 0.00 N ATOM 0 H LYS A 54 -0.320 0.899 -12.846 1.00 0.00 H new ATOM 0 HA LYS A 54 1.223 1.752 -15.122 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.195 2.505 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.198 3.919 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.676 3.731 -15.835 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.083 3.276 -16.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.560 0.968 -15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.440 1.769 -16.639 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.502 1.222 -17.011 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.630 -0.106 -17.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.214 0.952 -19.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.839 1.163 -18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.742 2.450 -18.696 1.00 0.00 H new ATOM 821 N ASN A 55 2.067 2.690 -12.137 1.00 0.00 N ATOM 822 CA ASN A 55 3.068 3.408 -11.358 1.00 0.00 C ATOM 823 C ASN A 55 3.121 2.887 -9.925 1.00 0.00 C ATOM 824 O ASN A 55 2.104 2.476 -9.366 1.00 0.00 O ATOM 825 CB ASN A 55 2.764 4.908 -11.356 1.00 0.00 C ATOM 826 CG ASN A 55 3.976 5.745 -11.719 1.00 0.00 C ATOM 827 OD1 ASN A 55 5.067 5.217 -11.935 1.00 0.00 O ATOM 828 ND2 ASN A 55 3.789 7.057 -11.786 1.00 0.00 N ATOM 0 H ASN A 55 1.486 2.053 -11.592 1.00 0.00 H new ATOM 0 HA ASN A 55 4.040 3.241 -11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.959 5.114 -12.062 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.405 5.202 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.567 7.672 -12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.867 7.451 -11.599 1.00 0.00 H new ATOM 835 N TYR A 56 4.311 2.907 -9.337 1.00 0.00 N ATOM 836 CA TYR A 56 4.497 2.435 -7.970 1.00 0.00 C ATOM 837 C TYR A 56 5.500 3.309 -7.223 1.00 0.00 C ATOM 838 O TYR A 56 6.356 3.952 -7.833 1.00 0.00 O ATOM 839 CB TYR A 56 4.972 0.981 -7.971 1.00 0.00 C ATOM 840 CG TYR A 56 6.461 0.830 -8.189 1.00 0.00 C ATOM 841 CD1 TYR A 56 7.007 0.908 -9.464 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.321 0.610 -7.121 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.366 0.771 -9.669 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.682 0.472 -7.316 1.00 0.00 C ATOM 845 CZ TYR A 56 9.200 0.554 -8.592 1.00 0.00 C ATOM 846 OH TYR A 56 10.554 0.416 -8.791 1.00 0.00 O ATOM 0 H TYR A 56 5.162 3.245 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 56 3.537 2.497 -7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.704 0.519 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.442 0.435 -8.751 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.357 1.079 -10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.919 0.546 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.773 0.833 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.337 0.301 -6.474 1.00 0.00 H new ATOM 0 HH TYR A 56 10.998 0.270 -7.930 1.00 0.00 H new ATOM 856 N ILE A 57 5.387 3.328 -5.900 1.00 0.00 N ATOM 857 CA ILE A 57 6.285 4.121 -5.068 1.00 0.00 C ATOM 858 C ILE A 57 6.723 3.341 -3.833 1.00 0.00 C ATOM 859 O ILE A 57 5.906 3.008 -2.974 1.00 0.00 O ATOM 860 CB ILE A 57 5.623 5.438 -4.622 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.583 6.433 -5.783 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.366 6.029 -3.434 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.854 7.242 -5.928 1.00 0.00 C ATOM 0 H ILE A 57 4.683 2.804 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 57 7.159 4.351 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 57 4.599 5.227 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.399 5.890 -6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.743 7.113 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.886 6.959 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.345 5.323 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.400 6.229 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.755 7.927 -6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.028 7.812 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.695 6.571 -6.103 1.00 0.00 H new ATOM 875 N LEU A 58 8.017 3.055 -3.750 1.00 0.00 N ATOM 876 CA LEU A 58 8.566 2.315 -2.618 1.00 0.00 C ATOM 877 C LEU A 58 9.289 3.252 -1.655 1.00 0.00 C ATOM 878 O LEU A 58 10.464 3.567 -1.845 1.00 0.00 O ATOM 879 CB LEU A 58 9.525 1.231 -3.109 1.00 0.00 C ATOM 880 CG LEU A 58 9.230 -0.192 -2.633 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.222 -0.255 -1.114 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.902 -0.678 -3.195 1.00 0.00 C ATOM 0 H LEU A 58 8.706 3.324 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 58 7.738 1.845 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.520 1.236 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.534 1.496 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 58 10.019 -0.848 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.010 -1.275 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.196 0.051 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.454 0.414 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.709 -1.692 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.101 -0.019 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.943 -0.671 -4.284 1.00 0.00 H new ATOM 894 N MET A 59 8.580 3.692 -0.621 1.00 0.00 N ATOM 895 CA MET A 59 9.157 4.590 0.374 1.00 0.00 C ATOM 896 C MET A 59 9.643 3.811 1.591 1.00 0.00 C ATOM 897 O MET A 59 8.846 3.220 2.321 1.00 0.00 O ATOM 898 CB MET A 59 8.129 5.639 0.801 1.00 0.00 C ATOM 899 CG MET A 59 8.054 6.834 -0.135 1.00 0.00 C ATOM 900 SD MET A 59 6.884 8.085 0.428 1.00 0.00 S ATOM 901 CE MET A 59 6.039 8.471 -1.104 1.00 0.00 C ATOM 0 H MET A 59 7.606 3.442 -0.450 1.00 0.00 H new ATOM 0 HA MET A 59 10.012 5.093 -0.078 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.146 5.171 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.374 5.989 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.043 7.282 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.766 6.494 -1.130 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.539 9.435 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.763 8.515 -1.918 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.301 7.698 -1.317 1.00 0.00 H new ATOM 911 N ARG A 60 10.954 3.815 1.805 1.00 0.00 N ATOM 912 CA ARG A 60 11.546 3.108 2.934 1.00 0.00 C ATOM 913 C ARG A 60 11.590 3.998 4.172 1.00 0.00 C ATOM 914 O ARG A 60 11.813 3.522 5.285 1.00 0.00 O ATOM 915 CB ARG A 60 12.959 2.635 2.584 1.00 0.00 C ATOM 916 CG ARG A 60 13.473 1.527 3.488 1.00 0.00 C ATOM 917 CD ARG A 60 14.693 0.843 2.893 1.00 0.00 C ATOM 918 NE ARG A 60 14.341 -0.380 2.176 1.00 0.00 N ATOM 919 CZ ARG A 60 15.207 -1.085 1.457 1.00 0.00 C ATOM 920 NH1 ARG A 60 16.469 -0.693 1.360 1.00 0.00 N ATOM 921 NH2 ARG A 60 14.809 -2.187 0.833 1.00 0.00 N ATOM 0 H ARG A 60 11.627 4.300 1.211 1.00 0.00 H new ATOM 0 HA ARG A 60 10.923 2.241 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.970 2.285 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.641 3.483 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.726 1.941 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.684 0.792 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.197 1.529 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.399 0.606 3.689 1.00 0.00 H new ATOM 0 HE ARG A 60 13.378 -0.711 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.778 0.153 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.131 -1.237 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.838 -2.492 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.474 -2.729 0.281 1.00 0.00 H new ATOM 935 N MET A 61 11.374 5.294 3.970 1.00 0.00 N ATOM 936 CA MET A 61 11.387 6.252 5.070 1.00 0.00 C ATOM 937 C MET A 61 10.706 5.670 6.305 1.00 0.00 C ATOM 938 O MET A 61 11.367 5.293 7.271 1.00 0.00 O ATOM 939 CB MET A 61 10.693 7.549 4.653 1.00 0.00 C ATOM 940 CG MET A 61 11.654 8.701 4.406 1.00 0.00 C ATOM 941 SD MET A 61 10.922 10.307 4.771 1.00 0.00 S ATOM 942 CE MET A 61 12.084 10.942 5.977 1.00 0.00 C ATOM 0 H MET A 61 11.188 5.705 3.055 1.00 0.00 H new ATOM 0 HA MET A 61 12.426 6.469 5.318 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.116 7.367 3.746 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.984 7.838 5.429 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.544 8.564 5.020 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.978 8.682 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 61 11.767 11.933 6.301 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.118 10.273 6.837 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.075 11.007 5.528 1.00 0.00 H new ATOM 952 N LYS A 62 9.379 5.602 6.265 1.00 0.00 N ATOM 953 CA LYS A 62 8.606 5.066 7.380 1.00 0.00 C ATOM 954 C LYS A 62 7.912 3.767 6.986 1.00 0.00 C ATOM 955 O LYS A 62 6.849 3.435 7.511 1.00 0.00 O ATOM 956 CB LYS A 62 7.570 6.089 7.848 1.00 0.00 C ATOM 957 CG LYS A 62 8.158 7.212 8.686 1.00 0.00 C ATOM 958 CD LYS A 62 7.509 8.546 8.365 1.00 0.00 C ATOM 959 CE LYS A 62 8.335 9.343 7.367 1.00 0.00 C ATOM 960 NZ LYS A 62 7.644 10.594 6.947 1.00 0.00 N ATOM 0 H LYS A 62 8.816 5.911 5.472 1.00 0.00 H new ATOM 0 HA LYS A 62 9.294 4.856 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.076 6.518 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.803 5.577 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.024 6.986 9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.231 7.276 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.511 8.378 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.388 9.123 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.299 9.592 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.537 8.728 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.240 11.108 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.735 10.356 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.474 11.193 7.780 1.00 0.00 H new ATOM 974 N SER A 63 8.520 3.033 6.059 1.00 0.00 N ATOM 975 CA SER A 63 7.958 1.771 5.593 1.00 0.00 C ATOM 976 C SER A 63 6.599 1.990 4.936 1.00 0.00 C ATOM 977 O SER A 63 5.587 1.453 5.385 1.00 0.00 O ATOM 978 CB SER A 63 7.821 0.788 6.758 1.00 0.00 C ATOM 979 OG SER A 63 9.065 0.591 7.408 1.00 0.00 O ATOM 0 H SER A 63 9.402 3.291 5.616 1.00 0.00 H new ATOM 0 HA SER A 63 8.637 1.352 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.090 1.166 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.444 -0.166 6.390 1.00 0.00 H new ATOM 0 HG SER A 63 8.950 -0.040 8.149 1.00 0.00 H new ATOM 985 N GLN A 64 6.585 2.785 3.870 1.00 0.00 N ATOM 986 CA GLN A 64 5.351 3.077 3.152 1.00 0.00 C ATOM 987 C GLN A 64 5.545 2.916 1.648 1.00 0.00 C ATOM 988 O GLN A 64 6.672 2.930 1.153 1.00 0.00 O ATOM 989 CB GLN A 64 4.875 4.497 3.468 1.00 0.00 C ATOM 990 CG GLN A 64 4.114 4.606 4.780 1.00 0.00 C ATOM 991 CD GLN A 64 2.865 5.456 4.660 1.00 0.00 C ATOM 992 OE1 GLN A 64 1.829 5.143 5.247 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.958 6.540 3.898 1.00 0.00 N ATOM 0 H GLN A 64 7.414 3.238 3.485 1.00 0.00 H new ATOM 0 HA GLN A 64 4.593 2.366 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.738 5.161 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.236 4.846 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.838 3.608 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.768 5.033 5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.837 6.761 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.150 7.152 3.781 1.00 0.00 H new ATOM 1002 N ALA A 65 4.440 2.764 0.927 1.00 0.00 N ATOM 1003 CA ALA A 65 4.489 2.602 -0.522 1.00 0.00 C ATOM 1004 C ALA A 65 3.123 2.858 -1.149 1.00 0.00 C ATOM 1005 O ALA A 65 2.088 2.645 -0.518 1.00 0.00 O ATOM 1006 CB ALA A 65 4.984 1.209 -0.880 1.00 0.00 C ATOM 0 H ALA A 65 3.500 2.750 1.322 1.00 0.00 H new ATOM 0 HA ALA A 65 5.187 3.338 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.016 1.102 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.984 1.062 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.308 0.464 -0.461 1.00 0.00 H new ATOM 1012 N PHE A 66 3.127 3.320 -2.396 1.00 0.00 N ATOM 1013 CA PHE A 66 1.888 3.607 -3.109 1.00 0.00 C ATOM 1014 C PHE A 66 1.884 2.945 -4.483 1.00 0.00 C ATOM 1015 O PHE A 66 2.742 3.226 -5.321 1.00 0.00 O ATOM 1016 CB PHE A 66 1.699 5.118 -3.258 1.00 0.00 C ATOM 1017 CG PHE A 66 1.752 5.860 -1.953 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.957 6.052 -1.299 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.595 6.365 -1.381 1.00 0.00 C ATOM 1020 CE1 PHE A 66 3.009 6.735 -0.098 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.640 7.048 -0.180 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.848 7.234 0.462 1.00 0.00 C ATOM 0 H PHE A 66 3.975 3.503 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 66 1.061 3.200 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.471 5.509 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.739 5.311 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.867 5.664 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.353 6.223 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.956 6.878 0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.269 7.436 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.886 7.768 1.400 1.00 0.00 H new ATOM 1032 N ILE A 67 0.916 2.064 -4.707 1.00 0.00 N ATOM 1033 CA ILE A 67 0.800 1.362 -5.980 1.00 0.00 C ATOM 1034 C ILE A 67 -0.435 1.818 -6.748 1.00 0.00 C ATOM 1035 O ILE A 67 -1.565 1.535 -6.350 1.00 0.00 O ATOM 1036 CB ILE A 67 0.732 -0.163 -5.778 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.035 -0.676 -5.161 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.456 -0.861 -7.101 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.986 -2.137 -4.774 1.00 0.00 C ATOM 0 H ILE A 67 0.200 1.819 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 67 1.693 1.604 -6.556 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.086 -0.388 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.848 -0.524 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.268 -0.082 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.411 -1.938 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.495 -0.514 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.254 -0.632 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.943 -2.432 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.195 -2.293 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.785 -2.741 -5.659 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.213 2.521 -7.854 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.309 3.014 -8.680 1.00 0.00 C ATOM 1053 C GLU A 68 -1.720 1.973 -9.715 1.00 0.00 C ATOM 1054 O GLU A 68 -1.028 1.765 -10.712 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.907 4.314 -9.378 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.028 4.942 -10.189 1.00 0.00 C ATOM 1057 CD GLU A 68 -2.210 6.417 -9.887 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -1.189 7.121 -9.733 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -3.371 6.867 -9.806 1.00 0.00 O ATOM 0 H GLU A 68 0.716 2.762 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.161 3.210 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.568 5.029 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.061 4.116 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.818 4.815 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.960 4.415 -9.983 1.00 0.00 H new ATOM 1066 N MET A 69 -2.852 1.320 -9.474 1.00 0.00 N ATOM 1067 CA MET A 69 -3.357 0.301 -10.386 1.00 0.00 C ATOM 1068 C MET A 69 -3.758 0.918 -11.723 1.00 0.00 C ATOM 1069 O MET A 69 -3.849 2.139 -11.850 1.00 0.00 O ATOM 1070 CB MET A 69 -4.554 -0.422 -9.766 1.00 0.00 C ATOM 1071 CG MET A 69 -4.285 -0.951 -8.367 1.00 0.00 C ATOM 1072 SD MET A 69 -2.759 -1.908 -8.266 1.00 0.00 S ATOM 1073 CE MET A 69 -3.172 -3.312 -9.300 1.00 0.00 C ATOM 0 H MET A 69 -3.437 1.479 -8.654 1.00 0.00 H new ATOM 0 HA MET A 69 -2.559 -0.420 -10.563 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.402 0.261 -9.730 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.841 -1.253 -10.411 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.231 -0.114 -7.671 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.122 -1.574 -8.052 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.299 -4.198 -8.677 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.099 -3.109 -9.836 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.369 -3.485 -10.017 1.00 0.00 H new ATOM 1083 N GLU A 70 -3.995 0.067 -12.715 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.386 0.529 -14.042 1.00 0.00 C ATOM 1085 C GLU A 70 -5.805 1.088 -14.027 1.00 0.00 C ATOM 1086 O GLU A 70 -6.144 1.977 -14.810 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.285 -0.612 -15.056 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.617 -0.194 -16.478 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.193 -1.331 -17.300 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -4.400 -2.088 -17.900 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.433 -1.463 -17.344 1.00 0.00 O ATOM 0 H GLU A 70 -3.923 -0.947 -12.626 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.703 1.326 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.274 -1.019 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.959 -1.414 -14.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.330 0.630 -16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.715 0.180 -16.963 1.00 0.00 H new ATOM 1098 N THR A 71 -6.634 0.559 -13.132 1.00 0.00 N ATOM 1099 CA THR A 71 -8.017 1.001 -13.016 1.00 0.00 C ATOM 1100 C THR A 71 -8.474 1.006 -11.562 1.00 0.00 C ATOM 1101 O THR A 71 -7.873 0.348 -10.711 1.00 0.00 O ATOM 1102 CB THR A 71 -8.965 0.105 -13.837 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.260 -1.092 -13.108 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.345 -0.251 -15.179 1.00 0.00 C ATOM 0 H THR A 71 -6.370 -0.177 -12.477 1.00 0.00 H new ATOM 0 HA THR A 71 -8.057 2.017 -13.410 1.00 0.00 H new ATOM 0 HB THR A 71 -9.888 0.657 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.864 -1.656 -13.635 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.032 -0.884 -15.741 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.149 0.661 -15.742 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.409 -0.786 -15.017 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.537 1.751 -11.282 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.073 1.841 -9.929 1.00 0.00 C ATOM 1114 C ARG A 72 -10.597 0.487 -9.461 1.00 0.00 C ATOM 1115 O ARG A 72 -10.532 0.162 -8.275 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.193 2.881 -9.869 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.742 3.107 -8.469 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.859 4.588 -8.148 1.00 0.00 C ATOM 1119 NE ARG A 72 -12.597 4.824 -6.911 1.00 0.00 N ATOM 1120 CZ ARG A 72 -13.924 4.810 -6.834 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.652 4.574 -7.916 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -14.524 5.033 -5.671 1.00 0.00 N ATOM 0 H ARG A 72 -10.045 2.302 -11.974 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.265 2.148 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.820 3.827 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.006 2.564 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.721 2.636 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.090 2.626 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.862 5.020 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.359 5.099 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.066 5.010 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.194 4.402 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.670 4.564 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.967 5.215 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.542 5.022 -5.612 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.116 -0.298 -10.400 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.653 -1.616 -10.082 1.00 0.00 C ATOM 1138 C GLU A 73 -10.596 -2.485 -9.405 1.00 0.00 C ATOM 1139 O GLU A 73 -10.826 -3.035 -8.328 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.159 -2.305 -11.351 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.609 -1.991 -11.677 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.889 -2.014 -13.167 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.239 -3.096 -13.687 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -13.760 -0.954 -13.814 1.00 0.00 O ATOM 0 H GLU A 73 -11.176 -0.044 -11.386 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.487 -1.484 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.533 -2.005 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.046 -3.383 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.255 -2.714 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.863 -1.009 -11.278 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.438 -2.603 -10.045 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.345 -3.404 -9.506 1.00 0.00 C ATOM 1153 C ASP A 74 -8.041 -3.008 -8.064 1.00 0.00 C ATOM 1154 O ASP A 74 -8.186 -3.813 -7.146 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.092 -3.241 -10.368 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.385 -3.381 -11.849 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.343 -4.103 -12.198 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.658 -2.769 -12.657 1.00 0.00 O ATOM 0 H ASP A 74 -9.232 -2.154 -10.938 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.652 -4.450 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.650 -2.263 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.353 -3.987 -10.075 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.617 -1.762 -7.875 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.294 -1.260 -6.545 1.00 0.00 C ATOM 1165 C ALA A 75 -8.414 -1.562 -5.557 1.00 0.00 C ATOM 1166 O ALA A 75 -8.181 -2.153 -4.502 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.023 0.237 -6.598 1.00 0.00 C ATOM 0 H ALA A 75 -7.489 -1.083 -8.625 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.394 -1.769 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.783 0.599 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.183 0.431 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.908 0.754 -6.968 1.00 0.00 H new ATOM 1173 N MET A 76 -9.630 -1.152 -5.904 1.00 0.00 N ATOM 1174 CA MET A 76 -10.786 -1.380 -5.045 1.00 0.00 C ATOM 1175 C MET A 76 -10.869 -2.843 -4.621 1.00 0.00 C ATOM 1176 O MET A 76 -11.158 -3.148 -3.465 1.00 0.00 O ATOM 1177 CB MET A 76 -12.072 -0.973 -5.767 1.00 0.00 C ATOM 1178 CG MET A 76 -12.116 0.498 -6.148 1.00 0.00 C ATOM 1179 SD MET A 76 -13.142 1.474 -5.030 1.00 0.00 S ATOM 1180 CE MET A 76 -11.971 2.720 -4.497 1.00 0.00 C ATOM 0 H MET A 76 -9.840 -0.661 -6.773 1.00 0.00 H new ATOM 0 HA MET A 76 -10.669 -0.767 -4.151 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.179 -1.577 -6.668 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.925 -1.200 -5.128 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.103 0.900 -6.149 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.498 0.595 -7.164 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.445 3.701 -4.526 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.648 2.503 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.107 2.715 -5.161 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.614 -3.743 -5.565 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.658 -5.174 -5.288 1.00 0.00 C ATOM 1192 C ALA A 77 -9.530 -5.586 -4.348 1.00 0.00 C ATOM 1193 O ALA A 77 -9.664 -6.541 -3.584 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.582 -5.965 -6.586 1.00 0.00 C ATOM 0 H ALA A 77 -10.375 -3.507 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.605 -5.395 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.616 -7.032 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.425 -5.700 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.650 -5.731 -7.101 1.00 0.00 H new ATOM 1200 N MET A 78 -8.419 -4.859 -4.411 1.00 0.00 N ATOM 1201 CA MET A 78 -7.267 -5.150 -3.564 1.00 0.00 C ATOM 1202 C MET A 78 -7.569 -4.819 -2.106 1.00 0.00 C ATOM 1203 O MET A 78 -7.489 -5.685 -1.234 1.00 0.00 O ATOM 1204 CB MET A 78 -6.046 -4.359 -4.037 1.00 0.00 C ATOM 1205 CG MET A 78 -4.736 -4.851 -3.444 1.00 0.00 C ATOM 1206 SD MET A 78 -3.296 -4.062 -4.191 1.00 0.00 S ATOM 1207 CE MET A 78 -2.095 -4.237 -2.874 1.00 0.00 C ATOM 0 H MET A 78 -8.292 -4.065 -5.039 1.00 0.00 H new ATOM 0 HA MET A 78 -7.051 -6.216 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.987 -4.414 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.181 -3.309 -3.778 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.734 -4.661 -2.371 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.664 -5.930 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.098 -4.029 -3.261 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.328 -3.534 -2.074 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.128 -5.254 -2.484 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.913 -3.562 -1.847 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.226 -3.118 -0.494 1.00 0.00 C ATOM 1219 C VAL A 79 -9.346 -3.954 0.113 1.00 0.00 C ATOM 1220 O VAL A 79 -9.330 -4.261 1.306 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.639 -1.634 -0.472 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.584 -0.776 -1.155 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.997 -1.450 -1.131 1.00 0.00 C ATOM 0 H VAL A 79 -7.982 -2.833 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.320 -3.245 0.098 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.718 -1.312 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.893 0.269 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.633 -0.886 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.470 -1.096 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.273 -0.396 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.948 -1.789 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.744 -2.033 -0.593 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.318 -4.321 -0.714 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.447 -5.124 -0.259 1.00 0.00 C ATOM 1235 C ASP A 80 -10.980 -6.492 0.229 1.00 0.00 C ATOM 1236 O ASP A 80 -11.307 -6.912 1.340 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.468 -5.293 -1.386 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.897 -5.162 -0.897 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.130 -4.388 0.056 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.783 -5.831 -1.467 1.00 0.00 O ATOM 0 H ASP A 80 -10.347 -4.075 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.919 -4.602 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.281 -4.545 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.334 -6.270 -1.850 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.214 -7.183 -0.610 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.702 -8.505 -0.264 1.00 0.00 C ATOM 1247 C HIS A 81 -9.012 -8.482 1.096 1.00 0.00 C ATOM 1248 O HIS A 81 -9.035 -9.470 1.832 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.725 -8.993 -1.335 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.086 -10.307 -1.008 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -7.114 -10.622 -0.121 1.00 0.00 N flip ATOM 1252 CD2 HIS A 81 -8.433 -11.488 -1.629 1.00 0.00 C flip ATOM 1253 CE1 HIS A 81 -6.894 -11.974 -0.220 1.00 0.00 C flip ATOM 1254 NE2 HIS A 81 -7.704 -12.473 -1.136 1.00 0.00 N flip ATOM 0 H HIS A 81 -9.935 -6.850 -1.533 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.547 -9.192 -0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.254 -9.082 -2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.946 -8.244 -1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.184 -11.592 -2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.176 -12.537 0.357 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.758 -13.453 -1.415 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.401 -7.349 1.425 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.703 -7.197 2.697 1.00 0.00 C ATOM 1264 C CYS A 82 -8.688 -6.921 3.828 1.00 0.00 C ATOM 1265 O CYS A 82 -8.420 -7.232 4.989 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.678 -6.065 2.609 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.183 -5.393 4.211 1.00 0.00 S ATOM 0 H CYS A 82 -8.375 -6.522 0.828 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.184 -8.131 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.792 -6.431 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.092 -5.260 2.002 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.901 -5.935 5.149 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.829 -6.335 3.483 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.855 -6.015 4.469 1.00 0.00 C ATOM 1275 C LEU A 83 -11.481 -7.286 5.034 1.00 0.00 C ATOM 1276 O LEU A 83 -11.709 -7.395 6.239 1.00 0.00 O ATOM 1277 CB LEU A 83 -11.938 -5.136 3.841 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.575 -3.663 3.644 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.312 -3.087 2.444 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.891 -2.863 4.899 1.00 0.00 C ATOM 0 H LEU A 83 -10.067 -6.072 2.527 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.382 -5.470 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.203 -5.557 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.829 -5.190 4.466 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.504 -3.596 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.041 -2.039 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.036 -3.642 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.387 -3.167 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.626 -1.818 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.956 -2.938 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.318 -3.259 5.737 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.755 -8.245 4.157 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.352 -9.511 4.569 1.00 0.00 C ATOM 1294 C LYS A 84 -11.302 -10.436 5.175 1.00 0.00 C ATOM 1295 O LYS A 84 -11.541 -11.078 6.198 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.021 -10.195 3.374 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.391 -9.632 3.040 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.286 -8.282 2.350 1.00 0.00 C ATOM 1299 CE LYS A 84 -15.236 -8.187 1.165 1.00 0.00 C ATOM 1300 NZ LYS A 84 -16.661 -8.246 1.591 1.00 0.00 N ATOM 0 H LYS A 84 -11.573 -8.170 3.156 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.105 -9.299 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.375 -10.097 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.116 -11.261 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.925 -10.330 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.976 -9.530 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.511 -7.489 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.262 -8.124 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.056 -7.255 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.031 -9.000 0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.277 -8.144 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.848 -9.160 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.855 -7.475 2.262 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.137 -10.498 4.539 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.048 -11.342 5.017 1.00 0.00 C ATOM 1316 C LYS A 85 -7.777 -10.525 5.226 1.00 0.00 C ATOM 1317 O LYS A 85 -7.602 -9.466 4.622 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.780 -12.475 4.024 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.703 -13.444 4.482 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.992 -14.860 4.017 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.253 -15.186 2.728 1.00 0.00 C ATOM 1322 NZ LYS A 85 -5.856 -15.631 2.987 1.00 0.00 N ATOM 0 H LYS A 85 -9.923 -9.974 3.691 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.346 -11.768 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.705 -13.026 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.487 -12.045 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.736 -13.123 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.634 -13.424 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.699 -15.566 4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.064 -14.982 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.789 -15.968 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.241 -14.307 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.386 -15.844 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.336 -14.876 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.868 -16.485 3.580 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.893 -11.022 6.085 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.638 -10.339 6.371 1.00 0.00 C ATOM 1338 C ALA A 86 -4.617 -10.580 5.264 1.00 0.00 C ATOM 1339 O ALA A 86 -4.206 -11.715 5.020 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.082 -10.795 7.711 1.00 0.00 C ATOM 0 H ALA A 86 -7.023 -11.896 6.595 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.839 -9.269 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.144 -10.276 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.799 -10.566 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.903 -11.870 7.684 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.212 -9.506 4.595 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.240 -9.600 3.511 1.00 0.00 C ATOM 1348 C LEU A 87 -1.820 -9.692 4.061 1.00 0.00 C ATOM 1349 O LEU A 87 -1.319 -8.748 4.671 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.363 -8.392 2.582 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.937 -8.616 1.130 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.809 -7.802 0.187 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.470 -8.259 0.944 1.00 0.00 C ATOM 0 H LEU A 87 -4.542 -8.560 4.784 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.450 -10.507 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.401 -8.058 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.765 -7.579 2.994 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.066 -9.672 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.492 -7.974 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.850 -8.105 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.712 -6.743 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.184 -8.424 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.315 -7.211 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.858 -8.885 1.593 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.177 -10.832 3.838 1.00 0.00 N ATOM 1366 CA TRP A 88 0.187 -11.046 4.310 1.00 0.00 C ATOM 1367 C TRP A 88 1.177 -10.994 3.151 1.00 0.00 C ATOM 1368 O TRP A 88 1.137 -11.834 2.252 1.00 0.00 O ATOM 1369 CB TRP A 88 0.295 -12.390 5.031 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.531 -12.463 6.279 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.816 -12.914 6.387 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.131 -12.071 7.596 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.237 -12.826 7.692 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.222 -12.312 8.453 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.045 -11.541 8.136 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.170 -12.041 9.819 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.095 -11.272 9.490 1.00 0.00 C ATOM 1378 CH2 TRP A 88 -0.007 -11.522 10.319 1.00 0.00 C ATOM 0 H TRP A 88 -1.578 -11.623 3.333 1.00 0.00 H new ATOM 0 HA TRP A 88 0.433 -10.247 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.015 -13.184 4.352 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.339 -12.576 5.284 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.413 -13.285 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.157 -13.099 8.038 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.900 -11.345 7.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.018 -12.234 10.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.998 -10.862 9.917 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.063 -11.301 11.374 1.00 0.00 H new ATOM 1389 N PHE A 89 2.064 -10.006 3.181 1.00 0.00 N ATOM 1390 CA PHE A 89 3.065 -9.845 2.131 1.00 0.00 C ATOM 1391 C PHE A 89 4.280 -10.727 2.400 1.00 0.00 C ATOM 1392 O PHE A 89 4.569 -11.651 1.641 1.00 0.00 O ATOM 1393 CB PHE A 89 3.496 -8.381 2.028 1.00 0.00 C ATOM 1394 CG PHE A 89 4.823 -8.194 1.351 1.00 0.00 C ATOM 1395 CD1 PHE A 89 5.234 -9.059 0.349 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.661 -7.152 1.716 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.455 -8.889 -0.275 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.883 -6.977 1.095 1.00 0.00 C ATOM 1399 CZ PHE A 89 7.280 -7.846 0.098 1.00 0.00 C ATOM 0 H PHE A 89 2.111 -9.305 3.920 1.00 0.00 H new ATOM 0 HA PHE A 89 2.617 -10.151 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.736 -7.824 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.544 -7.953 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.592 -9.876 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.355 -6.469 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.764 -9.571 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.527 -6.161 1.389 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.234 -7.710 -0.389 1.00 0.00 H new ATOM 1409 N GLN A 90 4.988 -10.434 3.487 1.00 0.00 N ATOM 1410 CA GLN A 90 6.173 -11.200 3.856 1.00 0.00 C ATOM 1411 C GLN A 90 6.232 -11.419 5.363 1.00 0.00 C ATOM 1412 O GLN A 90 7.176 -10.991 6.027 1.00 0.00 O ATOM 1413 CB GLN A 90 7.438 -10.481 3.383 1.00 0.00 C ATOM 1414 CG GLN A 90 7.957 -10.980 2.044 1.00 0.00 C ATOM 1415 CD GLN A 90 9.385 -11.481 2.123 1.00 0.00 C ATOM 1416 OE1 GLN A 90 9.787 -12.097 3.111 1.00 0.00 O ATOM 1417 NE2 GLN A 90 10.163 -11.221 1.078 1.00 0.00 N ATOM 0 H GLN A 90 4.762 -9.672 4.127 1.00 0.00 H new ATOM 0 HA GLN A 90 6.112 -12.173 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.233 -9.413 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.218 -10.604 4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.313 -11.783 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.898 -10.174 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.790 -10.708 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.133 -11.535 1.074 1.00 0.00 H new ATOM 1426 N GLY A 91 5.217 -12.089 5.899 1.00 0.00 N ATOM 1427 CA GLY A 91 5.173 -12.353 7.326 1.00 0.00 C ATOM 1428 C GLY A 91 4.582 -11.198 8.111 1.00 0.00 C ATOM 1429 O GLY A 91 4.582 -11.211 9.342 1.00 0.00 O ATOM 0 H GLY A 91 4.424 -12.454 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.584 -13.252 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.182 -12.555 7.686 1.00 0.00 H new ATOM 1433 N ARG A 92 4.078 -10.197 7.398 1.00 0.00 N ATOM 1434 CA ARG A 92 3.485 -9.027 8.036 1.00 0.00 C ATOM 1435 C ARG A 92 2.072 -8.781 7.514 1.00 0.00 C ATOM 1436 O ARG A 92 1.742 -9.157 6.389 1.00 0.00 O ATOM 1437 CB ARG A 92 4.353 -7.791 7.794 1.00 0.00 C ATOM 1438 CG ARG A 92 5.661 -7.804 8.569 1.00 0.00 C ATOM 1439 CD ARG A 92 5.874 -6.500 9.321 1.00 0.00 C ATOM 1440 NE ARG A 92 7.291 -6.176 9.465 1.00 0.00 N ATOM 1441 CZ ARG A 92 7.739 -5.114 10.122 1.00 0.00 C ATOM 1442 NH1 ARG A 92 6.886 -4.275 10.695 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.044 -4.886 10.209 1.00 0.00 N ATOM 0 H ARG A 92 4.068 -10.172 6.378 1.00 0.00 H new ATOM 0 HA ARG A 92 3.430 -9.218 9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.572 -7.714 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.787 -6.901 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.660 -8.636 9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.491 -7.969 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.369 -5.691 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.416 -6.572 10.308 1.00 0.00 H new ATOM 0 HE ARG A 92 7.974 -6.801 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.882 -4.445 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.234 -3.459 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.704 -5.528 9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.386 -4.069 10.715 1.00 0.00 H new ATOM 1457 N CYS A 93 1.245 -8.148 8.337 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.133 -7.853 7.959 1.00 0.00 C ATOM 1459 C CYS A 93 -0.236 -6.473 7.317 1.00 0.00 C ATOM 1460 O CYS A 93 -1.126 -5.688 7.647 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.047 -7.929 9.183 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.811 -7.945 8.787 1.00 0.00 S ATOM 0 H CYS A 93 1.504 -7.829 9.271 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.452 -8.598 7.230 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.804 -8.828 9.749 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.839 -7.078 9.832 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.104 -6.902 8.068 1.00 0.00 H new ATOM 1468 N VAL A 94 0.681 -6.183 6.399 1.00 0.00 N ATOM 1469 CA VAL A 94 0.693 -4.898 5.712 1.00 0.00 C ATOM 1470 C VAL A 94 -0.723 -4.375 5.499 1.00 0.00 C ATOM 1471 O VAL A 94 -1.609 -5.107 5.058 1.00 0.00 O ATOM 1472 CB VAL A 94 1.400 -4.999 4.347 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.790 -6.113 3.509 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.331 -3.669 3.611 1.00 0.00 C ATOM 0 H VAL A 94 1.425 -6.821 6.114 1.00 0.00 H new ATOM 0 HA VAL A 94 1.242 -4.204 6.348 1.00 0.00 H new ATOM 0 HB VAL A 94 2.449 -5.240 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.303 -6.168 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.897 -7.063 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.268 -5.907 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.835 -3.759 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.288 -3.396 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.820 -2.898 4.206 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.930 -3.101 5.817 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.238 -2.476 5.660 1.00 0.00 C ATOM 1486 C LYS A 95 -2.395 -1.884 4.263 1.00 0.00 C ATOM 1487 O LYS A 95 -1.647 -0.988 3.870 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.434 -1.382 6.713 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.677 -1.574 7.564 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.322 -1.940 8.996 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.283 -1.305 9.989 1.00 0.00 C ATOM 1492 NZ LYS A 95 -3.810 0.033 10.440 1.00 0.00 N ATOM 0 H LYS A 95 -0.208 -2.481 6.185 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.998 -3.245 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.559 -1.354 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.491 -0.415 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.268 -0.658 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.298 -2.358 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.342 -3.024 9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.305 -1.615 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.267 -1.207 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.398 -1.960 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.492 0.433 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.883 -0.064 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.725 0.666 9.619 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.372 -2.390 3.518 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.629 -1.909 2.164 1.00 0.00 C ATOM 1508 C VAL A 96 -4.967 -1.182 2.084 1.00 0.00 C ATOM 1509 O VAL A 96 -6.026 -1.795 2.220 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.623 -3.065 1.148 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.339 -4.281 1.716 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.259 -2.625 -0.162 1.00 0.00 C ATOM 0 H VAL A 96 -3.999 -3.133 3.828 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.826 -1.214 1.917 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.588 -3.344 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.324 -5.087 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.835 -4.608 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.372 -4.020 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.247 -3.454 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.289 -2.318 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.698 -1.787 -0.576 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.910 0.126 1.862 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.118 0.938 1.762 1.00 0.00 C ATOM 1524 C ASP A 97 -6.015 1.923 0.602 1.00 0.00 C ATOM 1525 O ASP A 97 -4.933 2.423 0.292 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.362 1.692 3.070 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.533 0.760 4.252 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -7.571 0.070 4.318 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -5.629 0.721 5.113 1.00 0.00 O ATOM 0 H ASP A 97 -4.041 0.647 1.748 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.960 0.272 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.526 2.365 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.253 2.312 2.968 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.148 2.198 -0.036 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.185 3.125 -1.163 1.00 0.00 C ATOM 1536 C LEU A 98 -7.062 4.568 -0.686 1.00 0.00 C ATOM 1537 O LEU A 98 -7.721 4.975 0.272 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.483 2.945 -1.951 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.329 2.726 -3.457 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.984 1.420 -3.876 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.922 3.895 -4.231 1.00 0.00 C ATOM 0 H LEU A 98 -8.052 1.793 0.207 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.338 2.904 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.023 2.095 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.105 3.826 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.266 2.666 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.864 1.281 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.513 0.591 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.045 1.450 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.803 3.721 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.982 3.988 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.406 4.814 -3.953 1.00 0.00 H new ATOM 1553 N SER A 99 -6.217 5.339 -1.361 1.00 0.00 N ATOM 1554 CA SER A 99 -6.005 6.737 -1.005 1.00 0.00 C ATOM 1555 C SER A 99 -6.946 7.646 -1.792 1.00 0.00 C ATOM 1556 O SER A 99 -7.132 7.470 -2.995 1.00 0.00 O ATOM 1557 CB SER A 99 -4.553 7.140 -1.267 1.00 0.00 C ATOM 1558 OG SER A 99 -4.255 8.391 -0.675 1.00 0.00 O ATOM 0 H SER A 99 -5.667 5.019 -2.158 1.00 0.00 H new ATOM 0 HA SER A 99 -6.219 6.851 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.884 6.377 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.375 7.191 -2.341 1.00 0.00 H new ATOM 0 HG SER A 99 -3.285 8.481 -0.571 1.00 0.00 H new ATOM 1564 N GLU A 100 -7.536 8.617 -1.100 1.00 0.00 N ATOM 1565 CA GLU A 100 -8.459 9.552 -1.733 1.00 0.00 C ATOM 1566 C GLU A 100 -7.963 10.988 -1.586 1.00 0.00 C ATOM 1567 O GLU A 100 -8.722 11.884 -1.217 1.00 0.00 O ATOM 1568 CB GLU A 100 -9.855 9.418 -1.123 1.00 0.00 C ATOM 1569 CG GLU A 100 -9.947 9.926 0.306 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.648 8.950 1.229 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -10.632 7.737 0.935 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -11.215 9.401 2.248 1.00 0.00 O ATOM 0 H GLU A 100 -7.391 8.776 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.510 9.310 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.566 9.966 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.154 8.370 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.943 10.120 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.481 10.876 0.316 1.00 0.00 H new ATOM 1579 N LYS A 101 -6.684 11.198 -1.878 1.00 0.00 N ATOM 1580 CA LYS A 101 -6.085 12.524 -1.779 1.00 0.00 C ATOM 1581 C LYS A 101 -4.952 12.685 -2.788 1.00 0.00 C ATOM 1582 O LYS A 101 -4.810 13.736 -3.414 1.00 0.00 O ATOM 1583 CB LYS A 101 -5.558 12.765 -0.363 1.00 0.00 C ATOM 1584 CG LYS A 101 -4.637 11.666 0.138 1.00 0.00 C ATOM 1585 CD LYS A 101 -5.008 11.226 1.545 1.00 0.00 C ATOM 1586 CE LYS A 101 -3.883 10.436 2.197 1.00 0.00 C ATOM 1587 NZ LYS A 101 -4.077 10.304 3.667 1.00 0.00 N ATOM 0 H LYS A 101 -6.042 10.467 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.856 13.261 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.023 13.714 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.403 12.859 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.688 10.812 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.606 12.020 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.239 12.101 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.910 10.615 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.828 9.444 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.931 10.929 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.290 9.760 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.104 11.249 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.973 9.811 3.856 1.00 0.00 H new ATOM 1601 N TYR A 102 -4.149 11.638 -2.943 1.00 0.00 N ATOM 1602 CA TYR A 102 -3.030 11.664 -3.875 1.00 0.00 C ATOM 1603 C TYR A 102 -3.521 11.638 -5.319 1.00 0.00 C ATOM 1604 O TYR A 102 -3.230 12.539 -6.104 1.00 0.00 O ATOM 1605 CB TYR A 102 -2.098 10.477 -3.620 1.00 0.00 C ATOM 1606 CG TYR A 102 -1.138 10.697 -2.474 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -1.561 10.587 -1.155 1.00 0.00 C ATOM 1608 CD2 TYR A 102 0.194 11.014 -2.710 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -0.687 10.788 -0.105 1.00 0.00 C ATOM 1610 CE2 TYR A 102 1.077 11.215 -1.665 1.00 0.00 C ATOM 1611 CZ TYR A 102 0.631 11.101 -0.365 1.00 0.00 C ATOM 1612 OH TYR A 102 1.506 11.300 0.678 1.00 0.00 O ATOM 0 H TYR A 102 -4.253 10.760 -2.434 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.480 12.591 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.699 9.591 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.528 10.272 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.592 10.340 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.546 11.105 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.033 10.701 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.110 11.460 -1.866 1.00 0.00 H new ATOM 0 HH TYR A 102 2.395 11.511 0.324 1.00 0.00 H new ATOM 1622 N LYS A 103 -4.271 10.595 -5.663 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.807 10.450 -7.011 1.00 0.00 C ATOM 1624 C LYS A 103 -3.731 9.960 -7.974 1.00 0.00 C ATOM 1625 O LYS A 103 -3.915 8.960 -8.670 1.00 0.00 O ATOM 1626 CB LYS A 103 -5.379 11.782 -7.502 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.495 11.626 -8.520 1.00 0.00 C ATOM 1628 CD LYS A 103 -6.481 12.753 -9.539 1.00 0.00 C ATOM 1629 CE LYS A 103 -6.032 12.263 -10.907 1.00 0.00 C ATOM 1630 NZ LYS A 103 -4.578 12.495 -11.130 1.00 0.00 N ATOM 0 H LYS A 103 -4.521 9.838 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.606 9.709 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.755 12.344 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.576 12.372 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.390 10.670 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.457 11.610 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.478 13.187 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.814 13.545 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.248 11.199 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.604 12.774 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.243 11.882 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.421 13.491 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.054 12.274 -10.259 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.608 10.668 -8.008 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.500 10.304 -8.884 1.00 0.00 C ATOM 1646 C LYS A 104 -0.182 10.290 -8.117 1.00 0.00 C ATOM 1647 O LYS A 104 -0.076 10.869 -7.034 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.409 11.283 -10.057 1.00 0.00 C ATOM 1649 CG LYS A 104 -1.288 12.735 -9.631 1.00 0.00 C ATOM 1650 CD LYS A 104 -0.469 13.541 -10.626 1.00 0.00 C ATOM 1651 CE LYS A 104 1.023 13.348 -10.407 1.00 0.00 C ATOM 1652 NZ LYS A 104 1.549 12.182 -11.168 1.00 0.00 N ATOM 0 H LYS A 104 -2.440 11.498 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.687 9.301 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.548 11.021 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.294 11.170 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.282 13.172 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.823 12.789 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.730 13.241 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.718 14.598 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.554 14.250 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.219 13.206 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.543 12.353 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.484 11.326 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.988 12.051 -12.034 1.00 0.00 H new ATOM 1666 N LEU A 105 0.820 9.628 -8.684 1.00 0.00 N ATOM 1667 CA LEU A 105 2.133 9.540 -8.053 1.00 0.00 C ATOM 1668 C LEU A 105 3.143 10.428 -8.774 1.00 0.00 C ATOM 1669 O LEU A 105 3.434 10.225 -9.954 1.00 0.00 O ATOM 1670 CB LEU A 105 2.622 8.091 -8.048 1.00 0.00 C ATOM 1671 CG LEU A 105 1.787 7.104 -7.232 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.428 5.725 -7.242 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.616 7.603 -5.804 1.00 0.00 C ATOM 0 H LEU A 105 0.749 9.144 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 105 2.039 9.888 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.661 7.738 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.643 8.074 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 105 0.801 7.027 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.819 5.037 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.498 5.364 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.427 5.785 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.019 6.888 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.595 7.710 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.112 8.569 -5.814 1.00 0.00 H new ATOM 1685 N VAL A 106 3.678 11.410 -8.056 1.00 0.00 N ATOM 1686 CA VAL A 106 4.660 12.326 -8.626 1.00 0.00 C ATOM 1687 C VAL A 106 5.984 12.248 -7.876 1.00 0.00 C ATOM 1688 O VAL A 106 6.014 12.252 -6.645 1.00 0.00 O ATOM 1689 CB VAL A 106 4.152 13.779 -8.600 1.00 0.00 C ATOM 1690 CG1 VAL A 106 3.968 14.256 -7.167 1.00 0.00 C ATOM 1691 CG2 VAL A 106 5.107 14.692 -9.356 1.00 0.00 C ATOM 0 H VAL A 106 3.448 11.592 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 106 4.814 12.021 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 106 3.182 13.814 -9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.609 15.285 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.242 13.619 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.922 14.206 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.732 15.715 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.092 14.653 -8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.182 14.362 -10.392 1.00 0.00 H new ATOM 1701 N SER A 107 7.080 12.179 -8.625 1.00 0.00 N ATOM 1702 CA SER A 107 8.409 12.098 -8.031 1.00 0.00 C ATOM 1703 C SER A 107 9.395 12.990 -8.779 1.00 0.00 C ATOM 1704 O SER A 107 9.722 12.738 -9.938 1.00 0.00 O ATOM 1705 CB SER A 107 8.906 10.651 -8.039 1.00 0.00 C ATOM 1706 OG SER A 107 9.168 10.194 -6.723 1.00 0.00 O ATOM 0 H SER A 107 7.074 12.178 -9.645 1.00 0.00 H new ATOM 0 HA SER A 107 8.341 12.447 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.160 10.010 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.812 10.578 -8.640 1.00 0.00 H new ATOM 0 HG SER A 107 9.483 9.266 -6.755 1.00 0.00 H new ATOM 1712 N GLY A 108 9.865 14.036 -8.107 1.00 0.00 N ATOM 1713 CA GLY A 108 10.807 14.951 -8.722 1.00 0.00 C ATOM 1714 C GLY A 108 10.799 16.320 -8.070 1.00 0.00 C ATOM 1715 O GLY A 108 11.514 16.574 -7.101 1.00 0.00 O ATOM 0 H GLY A 108 9.610 14.266 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.810 14.529 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.569 15.055 -9.781 1.00 0.00 H new ATOM 1719 N PRO A 109 9.973 17.231 -8.608 1.00 0.00 N ATOM 1720 CA PRO A 109 9.855 18.596 -8.088 1.00 0.00 C ATOM 1721 C PRO A 109 9.174 18.640 -6.724 1.00 0.00 C ATOM 1722 O PRO A 109 9.364 19.582 -5.955 1.00 0.00 O ATOM 1723 CB PRO A 109 8.994 19.302 -9.139 1.00 0.00 C ATOM 1724 CG PRO A 109 8.205 18.212 -9.777 1.00 0.00 C ATOM 1725 CD PRO A 109 9.092 16.997 -9.764 1.00 0.00 C ATOM 0 HA PRO A 109 10.829 19.059 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.343 20.047 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.611 19.824 -9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.281 18.027 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.923 18.479 -10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.515 16.079 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.660 16.904 -10.690 1.00 0.00 H new ATOM 1733 N SER A 110 8.381 17.615 -6.431 1.00 0.00 N ATOM 1734 CA SER A 110 7.669 17.539 -5.160 1.00 0.00 C ATOM 1735 C SER A 110 8.641 17.622 -3.987 1.00 0.00 C ATOM 1736 O SER A 110 9.418 16.700 -3.744 1.00 0.00 O ATOM 1737 CB SER A 110 6.864 16.241 -5.079 1.00 0.00 C ATOM 1738 OG SER A 110 5.580 16.470 -4.524 1.00 0.00 O ATOM 0 H SER A 110 8.215 16.826 -7.056 1.00 0.00 H new ATOM 0 HA SER A 110 6.985 18.386 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.761 15.810 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.402 15.513 -4.471 1.00 0.00 H new ATOM 0 HG SER A 110 5.085 15.625 -4.485 1.00 0.00 H new ATOM 1744 N SER A 111 8.590 18.736 -3.262 1.00 0.00 N ATOM 1745 CA SER A 111 9.468 18.943 -2.117 1.00 0.00 C ATOM 1746 C SER A 111 8.967 20.093 -1.249 1.00 0.00 C ATOM 1747 O SER A 111 8.974 21.249 -1.667 1.00 0.00 O ATOM 1748 CB SER A 111 10.895 19.227 -2.586 1.00 0.00 C ATOM 1749 OG SER A 111 10.934 20.347 -3.453 1.00 0.00 O ATOM 0 H SER A 111 7.950 19.508 -3.448 1.00 0.00 H new ATOM 0 HA SER A 111 9.465 18.032 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.535 19.409 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.293 18.352 -3.099 1.00 0.00 H new ATOM 0 HG SER A 111 10.327 21.040 -3.120 1.00 0.00 H new ATOM 1755 N GLY A 112 8.530 19.765 -0.036 1.00 0.00 N ATOM 1756 CA GLY A 112 8.031 20.781 0.872 1.00 0.00 C ATOM 1757 C GLY A 112 6.517 20.832 0.908 1.00 0.00 C ATOM 1758 O GLY A 112 5.855 19.797 0.980 1.00 0.00 O ATOM 0 H GLY A 112 8.513 18.814 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.409 20.585 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.417 21.755 0.571 1.00 0.00 H new TER 1762 GLY A 112