USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 948 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 81 ASN : amide:sc= -5.88! C(o=-12!,f=-6.2!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -6.37! K(o=-12!,f=-6.2) USER MOD Set 2.1: A 39 SER OG : rot 21:sc= -0.898 USER MOD Set 2.2: A 110 SER OG : rot 170:sc= -1.1 USER MOD Single : A 4 THR OG1 : rot -43:sc= -0.534 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 101:sc= -0.919! USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= -2.56! (180deg=-4.22!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -158:sc= 1.31 USER MOD Single : A 27 ASN : amide:sc= -0.0172 K(o=-0.017,f=-0.87) USER MOD Single : A 33 CYS SG : rot -78:sc= -2.75! USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= -9.36! (180deg=-12.3!) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0137) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -3.74! (180deg=-4.76!) USER MOD Single : A 49 TYR OH : rot 180:sc= -5.21! USER MOD Single : A 56 THR OG1 : rot 121:sc= 0.0626 USER MOD Single : A 59 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.022) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.803 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 91 MET CE :methyl -159:sc= -2.02! (180deg=-3.11!) USER MOD Single : A 92 SER OG : rot -160:sc= -0.24 USER MOD Single : A 95 TYR OH : rot 98:sc= 0.89 USER MOD Single : A 96 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0522 (180deg=-0.371) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 113 ASN : amide:sc= -1.65 K(o=-1.6,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.160 -4.492 4.325 1.00 53.15 N ATOM 70 CA THR A 4 -11.264 -4.072 5.711 1.00 1.20 C ATOM 71 C THR A 4 -10.472 -2.783 5.940 1.00 34.02 C ATOM 72 O THR A 4 -11.046 -1.695 5.971 1.00 52.13 O ATOM 73 CB THR A 4 -10.801 -5.234 6.593 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.754 -5.843 5.842 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.858 -6.333 6.717 1.00 74.44 C ATOM 0 HA THR A 4 -12.294 -3.834 5.975 1.00 1.20 H new ATOM 0 HB THR A 4 -10.550 -4.859 7.585 1.00 73.15 H new ATOM 0 HG1 THR A 4 -10.020 -5.905 4.901 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.478 -7.133 7.353 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.764 -5.918 7.158 1.00 74.44 H new ATOM 0 HG23 THR A 4 -12.085 -6.732 5.729 1.00 74.44 H new ATOM 83 N PHE A 5 -9.166 -2.948 6.093 1.00 11.00 N ATOM 84 CA PHE A 5 -8.290 -1.811 6.317 1.00 22.31 C ATOM 85 C PHE A 5 -8.374 -0.816 5.158 1.00 41.51 C ATOM 86 O PHE A 5 -8.062 0.362 5.322 1.00 44.32 O ATOM 87 CB PHE A 5 -6.863 -2.356 6.403 1.00 64.21 C ATOM 88 CG PHE A 5 -5.784 -1.273 6.449 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.449 -0.599 5.315 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.161 -0.981 7.622 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.447 0.407 5.357 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.160 0.025 7.663 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.824 0.697 6.530 1.00 2.25 C ATOM 0 H PHE A 5 -8.694 -3.852 6.066 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.583 -1.290 7.229 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.776 -2.979 7.293 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.679 -3.001 5.544 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.945 -0.829 4.384 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.428 -1.514 8.522 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.180 0.941 4.457 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.665 0.257 8.595 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.062 1.462 6.562 1.00 2.25 H new ATOM 103 N LYS A 6 -8.797 -1.328 4.011 1.00 54.43 N ATOM 104 CA LYS A 6 -8.926 -0.500 2.824 1.00 61.10 C ATOM 105 C LYS A 6 -10.395 -0.119 2.631 1.00 23.11 C ATOM 106 O LYS A 6 -10.714 0.750 1.821 1.00 53.24 O ATOM 107 CB LYS A 6 -8.307 -1.200 1.612 1.00 72.11 C ATOM 108 CG LYS A 6 -8.756 -0.538 0.308 1.00 41.42 C ATOM 109 CD LYS A 6 -9.996 -1.230 -0.260 1.00 55.05 C ATOM 110 CE LYS A 6 -10.199 -0.871 -1.734 1.00 11.24 C ATOM 111 NZ LYS A 6 -11.575 -1.206 -2.164 1.00 41.43 N ATOM 0 H LYS A 6 -9.055 -2.306 3.879 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.369 0.429 2.945 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.220 -1.168 1.685 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -8.595 -2.251 1.608 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.973 0.515 0.487 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.947 -0.578 -0.421 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -9.893 -2.310 -0.156 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -10.875 -0.937 0.314 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.013 0.193 -1.884 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.478 -1.410 -2.348 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -11.696 -0.956 -3.166 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.739 -2.225 -2.039 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -12.258 -0.672 -1.589 1.00 41.43 H new ATOM 125 N SER A 7 -11.252 -0.789 3.388 1.00 32.24 N ATOM 126 CA SER A 7 -12.679 -0.532 3.309 1.00 10.10 C ATOM 127 C SER A 7 -13.065 0.581 4.284 1.00 13.42 C ATOM 128 O SER A 7 -13.996 1.343 4.027 1.00 63.35 O ATOM 129 CB SER A 7 -13.485 -1.799 3.606 1.00 44.33 C ATOM 130 OG SER A 7 -14.871 -1.629 3.322 1.00 52.21 O ATOM 0 H SER A 7 -10.985 -1.509 4.059 1.00 32.24 H new ATOM 0 HA SER A 7 -12.913 -0.214 2.293 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.092 -2.626 3.014 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.360 -2.071 4.654 1.00 44.33 H new ATOM 0 HG SER A 7 -15.350 -2.460 3.523 1.00 52.21 H new ATOM 136 N GLU A 8 -12.329 0.641 5.385 1.00 33.03 N ATOM 137 CA GLU A 8 -12.582 1.649 6.400 1.00 53.01 C ATOM 138 C GLU A 8 -12.782 3.020 5.750 1.00 75.05 C ATOM 139 O GLU A 8 -13.748 3.720 6.051 1.00 11.10 O ATOM 140 CB GLU A 8 -11.449 1.689 7.427 1.00 50.33 C ATOM 141 CG GLU A 8 -11.772 2.663 8.562 1.00 33.05 C ATOM 142 CD GLU A 8 -10.885 2.399 9.781 1.00 44.11 C ATOM 143 OE1 GLU A 8 -10.688 3.298 10.612 1.00 71.32 O ATOM 144 OE2 GLU A 8 -10.391 1.209 9.848 1.00 31.12 O ATOM 0 H GLU A 8 -11.558 0.008 5.596 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.498 1.383 6.928 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.287 0.691 7.834 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.521 1.988 6.939 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.629 3.687 8.219 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.821 2.565 8.843 1.00 33.05 H new ATOM 152 N TYR A 9 -11.852 3.363 4.870 1.00 11.51 N ATOM 153 CA TYR A 9 -11.914 4.637 4.176 1.00 34.03 C ATOM 154 C TYR A 9 -11.935 4.434 2.659 1.00 13.04 C ATOM 155 O TYR A 9 -11.701 3.329 2.173 1.00 20.14 O ATOM 156 CB TYR A 9 -10.637 5.390 4.558 1.00 23.45 C ATOM 157 CG TYR A 9 -9.469 4.477 4.939 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.399 3.936 6.205 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.483 4.198 4.013 1.00 31.32 C ATOM 160 CE1 TYR A 9 -8.299 3.078 6.562 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.383 3.340 4.370 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.346 2.822 5.627 1.00 24.23 C ATOM 163 OH TYR A 9 -6.306 2.012 5.965 1.00 62.13 O ATOM 0 H TYR A 9 -11.052 2.781 4.622 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.818 5.180 4.452 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.335 6.020 3.722 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.855 6.053 5.395 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -10.169 4.156 6.929 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.537 4.623 3.022 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -8.233 2.648 7.550 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.605 3.113 3.656 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.461 1.114 5.605 1.00 62.13 H new ATOM 173 N PRO A 10 -12.227 5.547 1.934 1.00 21.33 N ATOM 174 CA PRO A 10 -12.283 5.502 0.482 1.00 5.43 C ATOM 175 C PRO A 10 -10.877 5.437 -0.118 1.00 23.30 C ATOM 176 O PRO A 10 -9.887 5.419 0.611 1.00 24.20 O ATOM 177 CB PRO A 10 -13.043 6.754 0.078 1.00 2.54 C ATOM 178 CG PRO A 10 -12.980 7.686 1.278 1.00 23.32 C ATOM 179 CD PRO A 10 -12.510 6.874 2.474 1.00 44.44 C ATOM 0 HA PRO A 10 -12.785 4.610 0.108 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.593 7.217 -0.800 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.076 6.518 -0.179 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.296 8.512 1.084 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.959 8.123 1.474 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.622 7.315 2.927 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.275 6.831 3.249 1.00 44.44 H new ATOM 187 N PHE A 11 -10.835 5.403 -1.442 1.00 12.11 N ATOM 188 CA PHE A 11 -9.567 5.340 -2.149 1.00 25.15 C ATOM 189 C PHE A 11 -8.750 6.613 -1.923 1.00 3.34 C ATOM 190 O PHE A 11 -7.596 6.547 -1.499 1.00 13.02 O ATOM 191 CB PHE A 11 -9.891 5.215 -3.639 1.00 73.12 C ATOM 192 CG PHE A 11 -8.740 5.618 -4.563 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.571 6.922 -4.911 1.00 64.31 C ATOM 194 CD2 PHE A 11 -7.886 4.671 -5.036 1.00 3.24 C ATOM 195 CE1 PHE A 11 -7.502 7.294 -5.767 1.00 0.24 C ATOM 196 CE2 PHE A 11 -6.817 5.043 -5.893 1.00 60.21 C ATOM 197 CZ PHE A 11 -6.648 6.348 -6.241 1.00 72.02 C ATOM 0 H PHE A 11 -11.659 5.418 -2.044 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.981 4.495 -1.787 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.172 4.184 -3.854 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.759 5.835 -3.865 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.250 7.674 -4.536 1.00 64.31 H new ATOM 0 HD2 PHE A 11 -8.021 3.636 -4.760 1.00 3.24 H new ATOM 0 HE1 PHE A 11 -7.367 8.330 -6.042 1.00 0.24 H new ATOM 0 HE2 PHE A 11 -6.139 4.291 -6.268 1.00 60.21 H new ATOM 0 HZ PHE A 11 -5.836 6.632 -6.894 1.00 72.02 H new ATOM 207 N GLU A 12 -9.378 7.742 -2.215 1.00 32.21 N ATOM 208 CA GLU A 12 -8.723 9.029 -2.048 1.00 43.50 C ATOM 209 C GLU A 12 -7.973 9.073 -0.715 1.00 41.32 C ATOM 210 O GLU A 12 -6.995 9.807 -0.573 1.00 72.13 O ATOM 211 CB GLU A 12 -9.731 10.175 -2.148 1.00 61.12 C ATOM 212 CG GLU A 12 -10.123 10.435 -3.604 1.00 72.25 C ATOM 213 CD GLU A 12 -11.253 11.462 -3.693 1.00 53.25 C ATOM 214 OE1 GLU A 12 -10.991 12.674 -3.699 1.00 30.14 O ATOM 215 OE2 GLU A 12 -12.440 10.962 -3.757 1.00 20.32 O ATOM 0 H GLU A 12 -10.334 7.793 -2.566 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.000 9.154 -2.854 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.620 9.934 -1.566 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.303 11.079 -1.716 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.256 10.794 -4.159 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.437 9.502 -4.072 1.00 72.25 H new ATOM 223 N LYS A 13 -8.458 8.279 0.228 1.00 5.43 N ATOM 224 CA LYS A 13 -7.846 8.219 1.545 1.00 64.41 C ATOM 225 C LYS A 13 -6.491 7.515 1.441 1.00 40.34 C ATOM 226 O LYS A 13 -5.498 7.988 1.991 1.00 3.22 O ATOM 227 CB LYS A 13 -8.800 7.571 2.550 1.00 65.01 C ATOM 228 CG LYS A 13 -8.354 7.850 3.986 1.00 14.12 C ATOM 229 CD LYS A 13 -9.406 8.669 4.738 1.00 72.31 C ATOM 230 CE LYS A 13 -9.447 10.110 4.226 1.00 2.41 C ATOM 231 NZ LYS A 13 -10.137 10.176 2.918 1.00 34.20 N ATOM 0 H LYS A 13 -9.268 7.671 0.106 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.656 9.223 1.923 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.809 7.954 2.398 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.838 6.495 2.380 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.181 6.908 4.506 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.406 8.388 3.978 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -10.386 8.208 4.616 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -9.182 8.664 5.805 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.962 10.744 4.948 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -8.433 10.497 4.129 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -10.686 11.057 2.859 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -9.433 10.155 2.153 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -10.777 9.362 2.822 1.00 34.20 H new ATOM 245 N ARG A 14 -6.495 6.397 0.730 1.00 61.35 N ATOM 246 CA ARG A 14 -5.278 5.623 0.546 1.00 70.54 C ATOM 247 C ARG A 14 -4.238 6.443 -0.218 1.00 72.40 C ATOM 248 O ARG A 14 -3.127 6.651 0.268 1.00 21.25 O ATOM 249 CB ARG A 14 -5.559 4.328 -0.218 1.00 65.45 C ATOM 250 CG ARG A 14 -4.586 3.224 0.197 1.00 13.40 C ATOM 251 CD ARG A 14 -5.214 2.307 1.248 1.00 22.22 C ATOM 252 NE ARG A 14 -4.200 1.920 2.254 1.00 41.21 N ATOM 253 CZ ARG A 14 -3.250 0.983 2.050 1.00 43.14 C ATOM 254 NH1 ARG A 14 -3.176 0.326 0.873 1.00 33.03 N ATOM 255 NH2 ARG A 14 -2.393 0.718 3.019 1.00 2.22 N ATOM 0 H ARG A 14 -7.321 6.008 0.275 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.892 5.372 1.534 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.583 4.005 -0.029 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.474 4.508 -1.290 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -4.300 2.639 -0.677 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -3.674 3.669 0.595 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -6.046 2.815 1.735 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -5.621 1.417 0.769 1.00 22.22 H new ATOM 0 HE ARG A 14 -4.220 2.391 3.159 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -3.841 0.536 0.129 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -2.455 -0.380 0.728 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -2.455 1.219 3.906 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -1.669 0.013 2.881 1.00 2.22 H new ATOM 269 N LYS A 15 -4.634 6.888 -1.401 1.00 2.20 N ATOM 270 CA LYS A 15 -3.750 7.681 -2.238 1.00 31.35 C ATOM 271 C LYS A 15 -3.116 8.790 -1.395 1.00 5.31 C ATOM 272 O LYS A 15 -1.934 9.092 -1.548 1.00 31.23 O ATOM 273 CB LYS A 15 -4.495 8.196 -3.470 1.00 63.02 C ATOM 274 CG LYS A 15 -5.056 9.598 -3.226 1.00 33.43 C ATOM 275 CD LYS A 15 -5.951 10.041 -4.386 1.00 1.00 C ATOM 276 CE LYS A 15 -6.393 11.495 -4.213 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.307 12.219 -5.501 1.00 61.42 N ATOM 0 H LYS A 15 -5.556 6.714 -1.800 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.936 7.065 -2.621 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.820 8.214 -4.326 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.308 7.514 -3.719 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.627 9.609 -2.297 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.236 10.306 -3.104 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.413 9.930 -5.328 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.827 9.395 -4.441 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.416 11.528 -3.838 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.765 11.986 -3.470 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.611 13.205 -5.366 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.325 12.203 -5.843 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.925 11.759 -6.200 1.00 61.42 H new ATOM 291 N ALA A 16 -3.931 9.365 -0.524 1.00 43.45 N ATOM 292 CA ALA A 16 -3.465 10.434 0.345 1.00 33.41 C ATOM 293 C ALA A 16 -2.459 9.868 1.348 1.00 52.13 C ATOM 294 O ALA A 16 -1.512 10.551 1.735 1.00 11.03 O ATOM 295 CB ALA A 16 -4.664 11.094 1.029 1.00 50.03 C ATOM 0 H ALA A 16 -4.911 9.112 -0.401 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.955 11.205 -0.233 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.316 11.895 1.681 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.333 11.506 0.273 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.199 10.352 1.621 1.00 50.03 H new ATOM 301 N GLU A 17 -2.698 8.625 1.741 1.00 45.42 N ATOM 302 CA GLU A 17 -1.824 7.961 2.692 1.00 11.22 C ATOM 303 C GLU A 17 -0.448 7.717 2.069 1.00 13.51 C ATOM 304 O GLU A 17 0.576 8.039 2.670 1.00 44.12 O ATOM 305 CB GLU A 17 -2.443 6.650 3.182 1.00 32.21 C ATOM 306 CG GLU A 17 -1.453 5.863 4.044 1.00 41.44 C ATOM 307 CD GLU A 17 -1.257 6.533 5.405 1.00 1.55 C ATOM 308 OE1 GLU A 17 -1.662 7.690 5.590 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.662 5.807 6.290 1.00 63.21 O ATOM 0 H GLU A 17 -3.484 8.061 1.418 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.699 8.613 3.557 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.343 6.862 3.758 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.747 6.046 2.327 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.817 4.845 4.185 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.495 5.790 3.529 1.00 41.44 H new ATOM 317 N SER A 18 -0.468 7.150 0.871 1.00 32.43 N ATOM 318 CA SER A 18 0.765 6.860 0.160 1.00 63.41 C ATOM 319 C SER A 18 1.505 8.160 -0.155 1.00 73.40 C ATOM 320 O SER A 18 2.721 8.157 -0.347 1.00 73.04 O ATOM 321 CB SER A 18 0.489 6.080 -1.127 1.00 72.20 C ATOM 322 OG SER A 18 -0.346 6.809 -2.023 1.00 23.24 O ATOM 0 H SER A 18 -1.319 6.884 0.375 1.00 32.43 H new ATOM 0 HA SER A 18 1.391 6.239 0.801 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.433 5.847 -1.619 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.015 5.130 -0.881 1.00 72.20 H new ATOM 0 HG SER A 18 -0.783 6.187 -2.642 1.00 23.24 H new ATOM 328 N GLU A 19 0.742 9.242 -0.201 1.00 72.31 N ATOM 329 CA GLU A 19 1.310 10.548 -0.491 1.00 1.34 C ATOM 330 C GLU A 19 2.210 11.002 0.660 1.00 3.30 C ATOM 331 O GLU A 19 3.095 11.836 0.470 1.00 22.02 O ATOM 332 CB GLU A 19 0.212 11.576 -0.767 1.00 51.31 C ATOM 333 CG GLU A 19 -0.359 11.404 -2.176 1.00 25.43 C ATOM 334 CD GLU A 19 0.426 12.239 -3.191 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.953 11.691 -4.169 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.479 13.503 -2.933 1.00 13.54 O ATOM 0 H GLU A 19 -0.266 9.241 -0.042 1.00 72.31 H new ATOM 0 HA GLU A 19 1.918 10.466 -1.392 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.586 11.468 -0.032 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.615 12.583 -0.654 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.325 10.352 -2.460 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.407 11.703 -2.187 1.00 25.43 H new ATOM 344 N ARG A 20 1.952 10.436 1.829 1.00 64.42 N ATOM 345 CA ARG A 20 2.727 10.772 3.011 1.00 61.32 C ATOM 346 C ARG A 20 3.769 9.687 3.291 1.00 72.54 C ATOM 347 O ARG A 20 4.881 9.985 3.722 1.00 12.42 O ATOM 348 CB ARG A 20 1.823 10.930 4.236 1.00 21.21 C ATOM 349 CG ARG A 20 0.550 11.701 3.883 1.00 4.23 C ATOM 350 CD ARG A 20 -0.501 11.559 4.985 1.00 54.55 C ATOM 351 NE ARG A 20 0.073 11.964 6.288 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.374 11.520 7.482 1.00 55.13 C ATOM 353 NH1 ARG A 20 -1.406 10.652 7.549 1.00 61.44 N ATOM 354 NH2 ARG A 20 0.214 11.949 8.584 1.00 74.03 N ATOM 0 H ARG A 20 1.217 9.746 1.983 1.00 64.42 H new ATOM 0 HA ARG A 20 3.229 11.720 2.819 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.560 9.947 4.628 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.362 11.454 5.025 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.788 12.755 3.736 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.146 11.331 2.941 1.00 4.23 H new ATOM 0 HD2 ARG A 20 -1.369 12.177 4.753 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.849 10.527 5.036 1.00 54.55 H new ATOM 0 HE ARG A 20 0.855 12.619 6.283 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.855 10.326 6.693 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.737 10.322 8.456 1.00 61.44 H new ATOM 0 HH21 ARG A 20 0.993 12.605 8.524 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -0.111 11.624 9.495 1.00 74.03 H new ATOM 368 N ILE A 21 3.369 8.450 3.033 1.00 62.20 N ATOM 369 CA ILE A 21 4.254 7.318 3.251 1.00 14.54 C ATOM 370 C ILE A 21 5.493 7.466 2.365 1.00 33.24 C ATOM 371 O ILE A 21 6.510 6.816 2.600 1.00 12.23 O ATOM 372 CB ILE A 21 3.503 6.002 3.042 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.797 5.564 4.327 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.436 4.917 2.503 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.848 4.394 4.059 1.00 64.42 C ATOM 0 H ILE A 21 2.445 8.207 2.675 1.00 62.20 H new ATOM 0 HA ILE A 21 4.601 7.300 4.284 1.00 14.54 H new ATOM 0 HB ILE A 21 2.731 6.165 2.290 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.537 5.273 5.072 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.238 6.402 4.743 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.876 3.992 2.364 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.852 5.237 1.548 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.246 4.748 3.213 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.359 4.102 4.988 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.094 4.696 3.332 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.414 3.549 3.666 1.00 64.42 H new ATOM 387 N ALA A 22 5.366 8.326 1.365 1.00 53.32 N ATOM 388 CA ALA A 22 6.462 8.567 0.443 1.00 24.25 C ATOM 389 C ALA A 22 7.473 9.513 1.094 1.00 24.12 C ATOM 390 O ALA A 22 8.643 9.534 0.717 1.00 11.34 O ATOM 391 CB ALA A 22 5.911 9.121 -0.873 1.00 5.11 C ATOM 0 H ALA A 22 4.521 8.864 1.173 1.00 53.32 H new ATOM 0 HA ALA A 22 6.981 7.636 0.214 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.734 9.302 -1.565 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.221 8.400 -1.311 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.385 10.057 -0.682 1.00 5.11 H new ATOM 397 N ASP A 23 6.984 10.273 2.064 1.00 25.10 N ATOM 398 CA ASP A 23 7.830 11.219 2.771 1.00 52.05 C ATOM 399 C ASP A 23 8.233 10.623 4.122 1.00 73.32 C ATOM 400 O ASP A 23 9.034 11.210 4.849 1.00 52.31 O ATOM 401 CB ASP A 23 7.088 12.531 3.036 1.00 42.33 C ATOM 402 CG ASP A 23 7.985 13.727 3.358 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.130 14.120 4.526 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.558 14.270 2.338 1.00 10.42 O ATOM 0 H ASP A 23 6.013 10.252 2.376 1.00 25.10 H new ATOM 0 HA ASP A 23 8.705 11.418 2.152 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.485 12.773 2.161 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.398 12.380 3.866 1.00 42.33 H new ATOM 410 N ARG A 24 7.660 9.466 4.417 1.00 2.03 N ATOM 411 CA ARG A 24 7.949 8.785 5.668 1.00 72.20 C ATOM 412 C ARG A 24 8.930 7.635 5.432 1.00 42.41 C ATOM 413 O ARG A 24 10.015 7.611 6.013 1.00 42.21 O ATOM 414 CB ARG A 24 6.671 8.233 6.304 1.00 3.23 C ATOM 415 CG ARG A 24 6.211 9.116 7.466 1.00 41.44 C ATOM 416 CD ARG A 24 4.707 8.967 7.704 1.00 53.35 C ATOM 417 NE ARG A 24 4.424 7.666 8.350 1.00 3.11 N ATOM 418 CZ ARG A 24 3.249 7.008 8.244 1.00 64.41 C ATOM 419 NH1 ARG A 24 2.237 7.528 7.517 1.00 24.30 N ATOM 420 NH2 ARG A 24 3.105 5.852 8.864 1.00 54.54 N ATOM 0 H ARG A 24 6.997 8.982 3.811 1.00 2.03 H new ATOM 0 HA ARG A 24 8.393 9.513 6.346 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.883 8.174 5.553 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.847 7.218 6.661 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.755 8.845 8.371 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.448 10.158 7.252 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.348 9.781 8.334 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.172 9.036 6.757 1.00 53.35 H new ATOM 0 HE ARG A 24 5.162 7.240 8.910 1.00 3.11 H new ATOM 0 HH11 ARG A 24 2.357 8.423 7.043 1.00 24.30 H new ATOM 0 HH12 ARG A 24 1.353 7.025 7.441 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.874 5.468 9.413 1.00 54.54 H new ATOM 0 HH22 ARG A 24 2.224 5.342 8.794 1.00 54.54 H new ATOM 434 N PHE A 25 8.516 6.712 4.578 1.00 64.32 N ATOM 435 CA PHE A 25 9.345 5.562 4.257 1.00 21.45 C ATOM 436 C PHE A 25 9.423 5.347 2.744 1.00 22.31 C ATOM 437 O PHE A 25 8.603 4.631 2.172 1.00 4.20 O ATOM 438 CB PHE A 25 8.685 4.341 4.900 1.00 21.33 C ATOM 439 CG PHE A 25 8.342 4.527 6.380 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.297 4.334 7.328 1.00 31.32 C ATOM 441 CD2 PHE A 25 7.082 4.885 6.746 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.979 4.506 8.702 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.764 5.057 8.119 1.00 33.12 C ATOM 444 CZ PHE A 25 7.719 4.864 9.068 1.00 35.34 C ATOM 0 H PHE A 25 7.617 6.736 4.098 1.00 64.32 H new ATOM 0 HA PHE A 25 10.358 5.719 4.627 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.773 4.104 4.353 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.351 3.484 4.797 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.297 4.050 7.037 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.324 5.038 5.993 1.00 62.14 H new ATOM 0 HE1 PHE A 25 9.737 4.353 9.455 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.763 5.341 8.410 1.00 33.12 H new ATOM 0 HZ PHE A 25 7.477 4.995 10.112 1.00 35.34 H new ATOM 454 N PRO A 26 10.443 5.998 2.122 1.00 41.11 N ATOM 455 CA PRO A 26 10.638 5.885 0.687 1.00 13.25 C ATOM 456 C PRO A 26 11.237 4.525 0.320 1.00 62.02 C ATOM 457 O PRO A 26 11.021 4.025 -0.783 1.00 74.20 O ATOM 458 CB PRO A 26 11.543 7.049 0.321 1.00 14.12 C ATOM 459 CG PRO A 26 12.195 7.497 1.619 1.00 11.53 C ATOM 460 CD PRO A 26 11.433 6.855 2.768 1.00 22.31 C ATOM 0 HA PRO A 26 9.702 5.934 0.130 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.294 6.745 -0.408 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.972 7.861 -0.129 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.243 7.199 1.642 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.170 8.583 1.704 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.098 6.278 3.411 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.956 7.607 3.396 1.00 22.31 H new ATOM 468 N ASN A 27 11.975 3.964 1.267 1.00 3.54 N ATOM 469 CA ASN A 27 12.605 2.672 1.058 1.00 53.31 C ATOM 470 C ASN A 27 11.688 1.570 1.591 1.00 42.04 C ATOM 471 O ASN A 27 12.154 0.618 2.216 1.00 41.30 O ATOM 472 CB ASN A 27 13.937 2.582 1.805 1.00 71.12 C ATOM 473 CG ASN A 27 14.992 3.482 1.158 1.00 53.14 C ATOM 474 OD1 ASN A 27 15.009 3.698 -0.043 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.868 3.993 2.018 1.00 54.31 N ATOM 0 H ASN A 27 12.151 4.381 2.181 1.00 3.54 H new ATOM 0 HA ASN A 27 12.782 2.552 -0.011 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.795 2.873 2.846 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.287 1.550 1.808 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.611 4.607 1.685 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.796 3.771 3.011 1.00 54.31 H new ATOM 482 N ARG A 28 10.400 1.735 1.324 1.00 14.04 N ATOM 483 CA ARG A 28 9.414 0.766 1.769 1.00 70.34 C ATOM 484 C ARG A 28 8.527 0.335 0.598 1.00 20.11 C ATOM 485 O ARG A 28 8.571 0.939 -0.473 1.00 11.54 O ATOM 486 CB ARG A 28 8.535 1.345 2.880 1.00 32.42 C ATOM 487 CG ARG A 28 9.182 1.144 4.251 1.00 75.13 C ATOM 488 CD ARG A 28 9.290 -0.344 4.594 1.00 41.41 C ATOM 489 NE ARG A 28 8.978 -0.557 6.025 1.00 33.42 N ATOM 490 CZ ARG A 28 9.713 -0.059 7.042 1.00 25.54 C ATOM 491 NH1 ARG A 28 10.811 0.687 6.793 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.343 -0.312 8.283 1.00 71.52 N ATOM 0 H ARG A 28 10.017 2.525 0.805 1.00 14.04 H new ATOM 0 HA ARG A 28 9.951 -0.098 2.160 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.372 2.408 2.703 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.556 0.865 2.862 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.174 1.595 4.259 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.594 1.655 5.013 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.603 -0.919 3.974 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.295 -0.704 4.375 1.00 41.41 H new ATOM 0 HE ARG A 28 8.156 -1.115 6.257 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.090 0.878 5.831 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.361 1.060 7.567 1.00 25.31 H new ATOM 0 HH21 ARG A 28 8.513 -0.876 8.463 1.00 71.52 H new ATOM 0 HH22 ARG A 28 9.887 0.057 9.063 1.00 71.52 H new ATOM 506 N ILE A 29 7.744 -0.704 0.841 1.00 73.21 N ATOM 507 CA ILE A 29 6.848 -1.222 -0.178 1.00 73.02 C ATOM 508 C ILE A 29 5.472 -1.477 0.439 1.00 4.10 C ATOM 509 O ILE A 29 5.242 -2.525 1.040 1.00 71.12 O ATOM 510 CB ILE A 29 7.458 -2.453 -0.851 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.818 -2.124 -1.468 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.493 -3.051 -1.878 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.669 -1.153 -2.640 1.00 4.23 C ATOM 0 H ILE A 29 7.711 -1.202 1.730 1.00 73.21 H new ATOM 0 HA ILE A 29 6.710 -0.488 -0.972 1.00 73.02 H new ATOM 0 HB ILE A 29 7.626 -3.211 -0.086 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.469 -1.688 -0.710 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.297 -3.041 -1.810 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.951 -3.925 -2.342 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.569 -3.347 -1.380 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.271 -2.308 -2.644 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.651 -0.936 -3.060 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.038 -1.602 -3.407 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.212 -0.228 -2.290 1.00 4.23 H new ATOM 525 N PRO A 30 4.569 -0.475 0.265 1.00 11.44 N ATOM 526 CA PRO A 30 3.221 -0.580 0.798 1.00 41.20 C ATOM 527 C PRO A 30 2.373 -1.538 -0.042 1.00 64.02 C ATOM 528 O PRO A 30 2.220 -1.345 -1.247 1.00 31.24 O ATOM 529 CB PRO A 30 2.686 0.842 0.798 1.00 23.13 C ATOM 530 CG PRO A 30 3.572 1.621 -0.161 1.00 14.13 C ATOM 531 CD PRO A 30 4.806 0.779 -0.443 1.00 23.23 C ATOM 0 HA PRO A 30 3.198 -1.000 1.804 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.645 0.868 0.476 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.721 1.272 1.799 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.037 1.836 -1.086 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.855 2.580 0.274 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.935 0.612 -1.512 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.711 1.271 -0.086 1.00 23.23 H new ATOM 539 N VAL A 31 1.843 -2.550 0.628 1.00 35.55 N ATOM 540 CA VAL A 31 1.014 -3.538 -0.040 1.00 53.01 C ATOM 541 C VAL A 31 -0.201 -3.856 0.835 1.00 30.13 C ATOM 542 O VAL A 31 -0.291 -3.390 1.969 1.00 73.51 O ATOM 543 CB VAL A 31 1.846 -4.777 -0.380 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.320 -4.414 -0.562 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.675 -5.861 0.687 1.00 45.11 C ATOM 0 H VAL A 31 1.972 -2.707 1.628 1.00 35.55 H new ATOM 0 HA VAL A 31 0.640 -3.145 -0.985 1.00 53.01 H new ATOM 0 HB VAL A 31 1.481 -5.177 -1.326 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.889 -5.312 -0.803 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.420 -3.693 -1.373 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.704 -3.978 0.360 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.276 -6.731 0.422 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.001 -5.475 1.653 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.626 -6.150 0.747 1.00 45.11 H new ATOM 555 N ILE A 32 -1.104 -4.645 0.273 1.00 65.24 N ATOM 556 CA ILE A 32 -2.310 -5.030 0.988 1.00 51.12 C ATOM 557 C ILE A 32 -2.582 -6.518 0.757 1.00 43.11 C ATOM 558 O ILE A 32 -2.966 -6.918 -0.340 1.00 14.33 O ATOM 559 CB ILE A 32 -3.478 -4.123 0.596 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.078 -2.649 0.678 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.716 -4.430 1.440 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.055 -2.167 2.131 1.00 50.14 C ATOM 0 H ILE A 32 -1.026 -5.029 -0.669 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.177 -4.893 2.061 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.738 -4.328 -0.443 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.094 -2.510 0.229 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.779 -2.045 0.102 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.532 -3.772 1.142 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.012 -5.468 1.287 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.487 -4.270 2.494 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.768 -1.116 2.161 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -4.046 -2.285 2.569 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.335 -2.756 2.699 1.00 50.14 H new ATOM 574 N CYS A 33 -2.373 -7.295 1.809 1.00 2.21 N ATOM 575 CA CYS A 33 -2.590 -8.730 1.734 1.00 35.42 C ATOM 576 C CYS A 33 -4.093 -8.994 1.844 1.00 3.32 C ATOM 577 O CYS A 33 -4.763 -8.439 2.713 1.00 43.20 O ATOM 578 CB CYS A 33 -1.800 -9.479 2.809 1.00 33.30 C ATOM 579 SG CYS A 33 -1.427 -11.178 2.242 1.00 13.01 S ATOM 0 H CYS A 33 -2.056 -6.958 2.718 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.224 -9.106 0.779 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.873 -8.948 3.027 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.373 -9.514 3.735 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.483 -11.923 2.380 1.00 13.01 H new ATOM 585 N GLU A 34 -4.579 -9.842 0.949 1.00 15.11 N ATOM 586 CA GLU A 34 -5.990 -10.187 0.934 1.00 60.01 C ATOM 587 C GLU A 34 -6.169 -11.686 0.688 1.00 42.00 C ATOM 588 O GLU A 34 -5.255 -12.352 0.205 1.00 21.50 O ATOM 589 CB GLU A 34 -6.744 -9.365 -0.113 1.00 74.13 C ATOM 590 CG GLU A 34 -8.219 -9.214 0.267 1.00 21.12 C ATOM 591 CD GLU A 34 -9.053 -10.363 -0.305 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.515 -11.224 -1.017 1.00 61.31 O ATOM 593 OE2 GLU A 34 -10.302 -10.343 0.018 1.00 64.42 O ATOM 0 H GLU A 34 -4.020 -10.300 0.229 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.412 -9.947 1.910 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.286 -8.380 -0.206 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.663 -9.848 -1.087 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.318 -9.193 1.352 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.599 -8.263 -0.106 1.00 21.12 H new ATOM 601 N LYS A 35 -7.352 -12.174 1.029 1.00 12.15 N ATOM 602 CA LYS A 35 -7.662 -13.582 0.851 1.00 74.11 C ATOM 603 C LYS A 35 -8.795 -13.725 -0.168 1.00 65.13 C ATOM 604 O LYS A 35 -9.840 -13.093 -0.032 1.00 52.34 O ATOM 605 CB LYS A 35 -7.961 -14.241 2.199 1.00 54.43 C ATOM 606 CG LYS A 35 -7.442 -15.679 2.234 1.00 11.23 C ATOM 607 CD LYS A 35 -8.366 -16.614 1.453 1.00 11.40 C ATOM 608 CE LYS A 35 -9.686 -16.828 2.196 1.00 71.14 C ATOM 609 NZ LYS A 35 -9.487 -16.692 3.656 1.00 23.43 N ATOM 0 H LYS A 35 -8.109 -11.618 1.428 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.800 -14.113 0.448 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.499 -13.664 3.000 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.036 -14.234 2.381 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.438 -15.717 1.811 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.366 -16.017 3.267 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.564 -16.195 0.467 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -7.872 -17.573 1.298 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.424 -16.102 1.854 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.082 -17.817 1.968 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -10.034 -17.426 4.151 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -8.477 -16.802 3.881 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -9.810 -15.753 3.964 1.00 23.43 H new ATOM 623 N ALA A 36 -8.546 -14.561 -1.167 1.00 44.15 N ATOM 624 CA ALA A 36 -9.533 -14.796 -2.207 1.00 42.21 C ATOM 625 C ALA A 36 -10.812 -15.349 -1.577 1.00 35.03 C ATOM 626 O ALA A 36 -10.773 -15.933 -0.495 1.00 61.54 O ATOM 627 CB ALA A 36 -8.948 -15.737 -3.262 1.00 55.13 C ATOM 0 H ALA A 36 -7.676 -15.083 -1.277 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.791 -13.863 -2.709 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.688 -15.914 -4.042 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.059 -15.284 -3.701 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.680 -16.685 -2.795 1.00 55.13 H new ATOM 633 N GLU A 37 -11.916 -15.147 -2.282 1.00 33.15 N ATOM 634 CA GLU A 37 -13.205 -15.619 -1.805 1.00 72.10 C ATOM 635 C GLU A 37 -13.338 -17.125 -2.037 1.00 21.01 C ATOM 636 O GLU A 37 -13.716 -17.865 -1.130 1.00 64.00 O ATOM 637 CB GLU A 37 -14.350 -14.858 -2.476 1.00 2.12 C ATOM 638 CG GLU A 37 -14.436 -15.199 -3.965 1.00 54.13 C ATOM 639 CD GLU A 37 -15.420 -14.273 -4.684 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.296 -14.750 -5.420 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.253 -13.015 -4.453 1.00 23.54 O ATOM 0 H GLU A 37 -11.944 -14.663 -3.179 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.265 -15.430 -0.733 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.292 -15.106 -1.987 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.200 -13.785 -2.353 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.449 -15.110 -4.420 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.751 -16.235 -4.087 1.00 54.13 H new ATOM 649 N LYS A 38 -13.018 -17.534 -3.256 1.00 32.50 N ATOM 650 CA LYS A 38 -13.097 -18.939 -3.618 1.00 70.13 C ATOM 651 C LYS A 38 -12.302 -19.768 -2.606 1.00 34.33 C ATOM 652 O LYS A 38 -12.732 -20.850 -2.210 1.00 61.34 O ATOM 653 CB LYS A 38 -12.652 -19.145 -5.067 1.00 31.21 C ATOM 654 CG LYS A 38 -13.539 -18.355 -6.031 1.00 30.31 C ATOM 655 CD LYS A 38 -13.214 -18.701 -7.485 1.00 62.11 C ATOM 656 CE LYS A 38 -13.563 -17.539 -8.417 1.00 24.23 C ATOM 657 NZ LYS A 38 -12.518 -16.491 -8.352 1.00 2.33 N ATOM 0 H LYS A 38 -12.704 -16.917 -4.005 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.129 -19.286 -3.574 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.615 -18.830 -5.181 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.692 -20.205 -5.316 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.587 -18.573 -5.827 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.398 -17.287 -5.868 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.155 -18.940 -7.577 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.769 -19.590 -7.784 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.659 -17.902 -9.440 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -14.528 -17.117 -8.136 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -12.946 -15.562 -8.538 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -12.086 -16.490 -7.406 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -11.787 -16.685 -9.066 1.00 2.33 H new ATOM 671 N SER A 39 -11.156 -19.228 -2.218 1.00 31.52 N ATOM 672 CA SER A 39 -10.297 -19.904 -1.261 1.00 23.13 C ATOM 673 C SER A 39 -11.142 -20.526 -0.148 1.00 61.22 C ATOM 674 O SER A 39 -12.297 -20.149 0.043 1.00 52.33 O ATOM 675 CB SER A 39 -9.266 -18.940 -0.670 1.00 23.31 C ATOM 676 OG SER A 39 -8.183 -19.630 -0.053 1.00 4.43 O ATOM 0 H SER A 39 -10.802 -18.330 -2.549 1.00 31.52 H new ATOM 0 HA SER A 39 -9.758 -20.694 -1.783 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.882 -18.293 -1.458 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.751 -18.296 0.064 1.00 23.31 H new ATOM 0 HG SER A 39 -8.133 -20.543 -0.406 1.00 4.43 H new ATOM 682 N ASP A 40 -10.533 -21.467 0.559 1.00 65.12 N ATOM 683 CA ASP A 40 -11.214 -22.144 1.648 1.00 2.54 C ATOM 684 C ASP A 40 -10.470 -21.871 2.958 1.00 55.42 C ATOM 685 O ASP A 40 -10.920 -22.278 4.027 1.00 54.00 O ATOM 686 CB ASP A 40 -11.241 -23.657 1.426 1.00 11.34 C ATOM 687 CG ASP A 40 -12.346 -24.154 0.492 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.279 -23.411 0.155 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.220 -25.377 0.101 1.00 14.32 O ATOM 0 H ASP A 40 -9.574 -21.776 0.398 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.236 -21.768 1.691 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -10.277 -23.967 1.021 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.354 -24.149 2.392 1.00 11.34 H new ATOM 695 N ILE A 41 -9.344 -21.186 2.830 1.00 65.22 N ATOM 696 CA ILE A 41 -8.532 -20.855 3.989 1.00 75.43 C ATOM 697 C ILE A 41 -9.199 -19.715 4.763 1.00 34.44 C ATOM 698 O ILE A 41 -10.115 -19.069 4.256 1.00 24.44 O ATOM 699 CB ILE A 41 -7.093 -20.554 3.567 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.877 -19.049 3.390 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.714 -21.340 2.311 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.709 -18.771 2.442 1.00 2.30 C ATOM 0 H ILE A 41 -8.974 -20.851 1.941 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.468 -21.707 4.666 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.427 -20.883 4.365 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.785 -18.591 2.998 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.681 -18.590 4.359 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.686 -21.108 2.033 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.804 -22.408 2.509 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.382 -21.065 1.495 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.577 -17.695 2.333 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.798 -19.209 2.849 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.919 -19.211 1.467 1.00 2.30 H new ATOM 714 N PRO A 42 -8.699 -19.497 6.008 1.00 50.44 N ATOM 715 CA PRO A 42 -9.235 -18.447 6.856 1.00 24.42 C ATOM 716 C PRO A 42 -8.762 -17.069 6.389 1.00 24.50 C ATOM 717 O PRO A 42 -7.571 -16.864 6.156 1.00 43.12 O ATOM 718 CB PRO A 42 -8.761 -18.793 8.258 1.00 64.40 C ATOM 719 CG PRO A 42 -7.599 -19.756 8.080 1.00 30.21 C ATOM 720 CD PRO A 42 -7.614 -20.243 6.640 1.00 32.44 C ATOM 0 HA PRO A 42 -10.323 -18.392 6.819 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.448 -17.898 8.796 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.562 -19.250 8.839 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.655 -19.261 8.306 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.691 -20.596 8.768 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.661 -20.050 6.147 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.789 -21.318 6.587 1.00 32.44 H new ATOM 728 N GLU A 43 -9.718 -16.161 6.265 1.00 42.44 N ATOM 729 CA GLU A 43 -9.414 -14.808 5.830 1.00 50.22 C ATOM 730 C GLU A 43 -8.630 -14.065 6.914 1.00 11.31 C ATOM 731 O GLU A 43 -8.837 -14.299 8.104 1.00 21.42 O ATOM 732 CB GLU A 43 -10.691 -14.051 5.460 1.00 1.13 C ATOM 733 CG GLU A 43 -10.362 -12.699 4.826 1.00 32.10 C ATOM 734 CD GLU A 43 -11.574 -11.765 4.866 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.716 -12.223 4.711 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.298 -10.521 5.069 1.00 12.44 O ATOM 0 H GLU A 43 -10.704 -16.335 6.458 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.793 -14.866 4.936 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.284 -14.647 4.766 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.300 -13.900 6.351 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.527 -12.239 5.354 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.045 -12.845 3.793 1.00 32.10 H new ATOM 744 N ILE A 44 -7.748 -13.185 6.463 1.00 60.22 N ATOM 745 CA ILE A 44 -6.933 -12.407 7.379 1.00 23.32 C ATOM 746 C ILE A 44 -7.837 -11.490 8.207 1.00 4.52 C ATOM 747 O ILE A 44 -9.031 -11.381 7.935 1.00 3.42 O ATOM 748 CB ILE A 44 -5.834 -11.662 6.618 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.792 -11.088 7.582 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.429 -10.586 5.710 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.469 -10.822 6.863 1.00 33.21 C ATOM 0 H ILE A 44 -7.580 -12.994 5.475 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.416 -13.063 8.079 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.319 -12.376 5.975 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.166 -10.162 8.018 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.629 -11.785 8.405 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.627 -10.072 5.181 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.101 -11.050 4.988 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.985 -9.868 6.313 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.746 -10.415 7.570 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.086 -11.755 6.449 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.631 -10.107 6.057 1.00 33.21 H new ATOM 763 N ASP A 45 -7.232 -10.856 9.201 1.00 33.03 N ATOM 764 CA ASP A 45 -7.967 -9.953 10.070 1.00 71.14 C ATOM 765 C ASP A 45 -8.153 -8.610 9.361 1.00 0.43 C ATOM 766 O ASP A 45 -9.224 -8.007 9.436 1.00 74.13 O ATOM 767 CB ASP A 45 -7.204 -9.698 11.371 1.00 41.02 C ATOM 768 CG ASP A 45 -7.306 -10.819 12.409 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.284 -12.010 12.067 1.00 63.25 O ATOM 770 OD2 ASP A 45 -7.415 -10.420 13.632 1.00 2.34 O ATOM 0 H ASP A 45 -6.241 -10.950 9.424 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.928 -10.413 10.300 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.152 -9.538 11.133 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.574 -8.775 11.817 1.00 41.02 H new ATOM 776 N LYS A 46 -7.095 -8.179 8.690 1.00 54.04 N ATOM 777 CA LYS A 46 -7.129 -6.918 7.969 1.00 51.14 C ATOM 778 C LYS A 46 -6.124 -6.967 6.816 1.00 4.32 C ATOM 779 O LYS A 46 -5.197 -7.776 6.830 1.00 25.51 O ATOM 780 CB LYS A 46 -6.908 -5.746 8.927 1.00 35.22 C ATOM 781 CG LYS A 46 -5.486 -5.196 8.803 1.00 72.31 C ATOM 782 CD LYS A 46 -4.449 -6.298 9.035 1.00 10.44 C ATOM 783 CE LYS A 46 -3.783 -6.143 10.403 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.493 -6.868 10.436 1.00 3.44 N ATOM 0 H LYS A 46 -6.209 -8.681 8.630 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.113 -6.758 7.529 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -7.627 -4.956 8.712 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.088 -6.071 9.952 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.345 -4.762 7.813 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.338 -4.394 9.527 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.929 -7.274 8.969 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.692 -6.261 8.252 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.619 -5.087 10.617 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -4.443 -6.527 11.181 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.054 -6.753 11.372 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.658 -7.878 10.253 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -1.860 -6.483 9.706 1.00 3.44 H new ATOM 798 N ARG A 47 -6.340 -6.092 5.846 1.00 22.33 N ATOM 799 CA ARG A 47 -5.465 -6.026 4.688 1.00 73.31 C ATOM 800 C ARG A 47 -4.555 -4.800 4.780 1.00 10.15 C ATOM 801 O ARG A 47 -4.948 -3.700 4.396 1.00 4.24 O ATOM 802 CB ARG A 47 -6.272 -5.957 3.390 1.00 1.04 C ATOM 803 CG ARG A 47 -7.624 -6.655 3.547 1.00 52.44 C ATOM 804 CD ARG A 47 -8.494 -6.452 2.305 1.00 32.42 C ATOM 805 NE ARG A 47 -7.663 -6.542 1.085 1.00 24.35 N ATOM 806 CZ ARG A 47 -7.973 -5.948 -0.088 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.099 -5.216 -0.208 1.00 63.21 N ATOM 808 NH2 ARG A 47 -7.156 -6.096 -1.115 1.00 1.01 N ATOM 0 H ARG A 47 -7.109 -5.422 5.838 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.860 -6.933 4.678 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.427 -4.915 3.109 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.709 -6.425 2.582 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.469 -7.721 3.717 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -8.139 -6.264 4.424 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.281 -7.205 2.275 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.985 -5.480 2.350 1.00 32.42 H new ATOM 0 HE ARG A 47 -6.802 -7.087 1.132 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.724 -5.107 0.591 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.326 -4.771 -1.097 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -6.307 -6.652 -1.015 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -7.374 -5.655 -2.008 1.00 1.01 H new ATOM 822 N LYS A 48 -3.355 -5.031 5.293 1.00 32.22 N ATOM 823 CA LYS A 48 -2.386 -3.958 5.441 1.00 13.13 C ATOM 824 C LYS A 48 -1.003 -4.559 5.706 1.00 65.41 C ATOM 825 O LYS A 48 -0.735 -5.046 6.803 1.00 32.21 O ATOM 826 CB LYS A 48 -2.841 -2.968 6.514 1.00 2.52 C ATOM 827 CG LYS A 48 -1.716 -1.996 6.878 1.00 31.03 C ATOM 828 CD LYS A 48 -1.331 -1.129 5.678 1.00 5.15 C ATOM 829 CE LYS A 48 0.186 -1.108 5.481 1.00 62.34 C ATOM 830 NZ LYS A 48 0.580 0.025 4.615 1.00 61.43 N ATOM 0 H LYS A 48 -3.032 -5.945 5.611 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.313 -3.381 4.519 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.706 -2.410 6.155 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.159 -3.512 7.404 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.033 -1.360 7.704 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.845 -2.554 7.222 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.813 -1.512 4.778 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.696 -0.113 5.827 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.683 -1.025 6.447 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.514 -2.046 5.034 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.484 -0.192 4.150 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -0.152 0.181 3.893 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.685 0.883 5.193 1.00 61.43 H new ATOM 844 N TYR A 49 -0.163 -4.505 4.683 1.00 55.14 N ATOM 845 CA TYR A 49 1.184 -5.038 4.792 1.00 61.12 C ATOM 846 C TYR A 49 2.206 -4.070 4.192 1.00 45.23 C ATOM 847 O TYR A 49 2.172 -3.788 2.996 1.00 72.34 O ATOM 848 CB TYR A 49 1.192 -6.335 3.980 1.00 0.44 C ATOM 849 CG TYR A 49 0.629 -7.543 4.733 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.707 -7.582 5.075 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.460 -8.592 5.072 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.235 -8.719 5.783 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.931 -9.729 5.780 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.390 -9.736 6.101 1.00 11.31 C ATOM 855 OH TYR A 49 -0.889 -10.810 6.770 1.00 30.03 O ATOM 0 H TYR A 49 -0.389 -4.100 3.775 1.00 55.14 H new ATOM 0 HA TYR A 49 1.450 -5.197 5.837 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.613 -6.185 3.069 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.215 -6.554 3.675 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.356 -6.760 4.812 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.506 -8.560 4.806 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.279 -8.763 6.056 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.569 -10.557 6.050 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.172 -11.459 6.929 1.00 30.03 H new ATOM 865 N LEU A 50 3.092 -3.587 5.053 1.00 74.33 N ATOM 866 CA LEU A 50 4.122 -2.657 4.623 1.00 43.30 C ATOM 867 C LEU A 50 5.460 -3.394 4.525 1.00 30.44 C ATOM 868 O LEU A 50 6.305 -3.272 5.410 1.00 14.21 O ATOM 869 CB LEU A 50 4.158 -1.435 5.544 1.00 73.54 C ATOM 870 CG LEU A 50 4.414 -0.090 4.862 1.00 22.24 C ATOM 871 CD1 LEU A 50 3.549 1.011 5.480 1.00 24.21 C ATOM 872 CD2 LEU A 50 5.902 0.266 4.892 1.00 4.24 C ATOM 0 H LEU A 50 3.117 -3.823 6.045 1.00 74.33 H new ATOM 0 HA LEU A 50 3.897 -2.271 3.629 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.208 -1.376 6.074 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.933 -1.593 6.295 1.00 73.54 H new ATOM 0 HG LEU A 50 4.125 -0.178 3.815 1.00 22.24 H new ATOM 0 HD11 LEU A 50 3.750 1.957 4.977 1.00 24.21 H new ATOM 0 HD12 LEU A 50 2.496 0.755 5.363 1.00 24.21 H new ATOM 0 HD13 LEU A 50 3.784 1.106 6.540 1.00 24.21 H new ATOM 0 HD21 LEU A 50 6.056 1.227 4.401 1.00 4.24 H new ATOM 0 HD22 LEU A 50 6.240 0.329 5.926 1.00 4.24 H new ATOM 0 HD23 LEU A 50 6.471 -0.504 4.370 1.00 4.24 H new ATOM 884 N VAL A 51 5.608 -4.142 3.442 1.00 34.04 N ATOM 885 CA VAL A 51 6.829 -4.898 3.218 1.00 63.40 C ATOM 886 C VAL A 51 7.924 -3.954 2.718 1.00 40.31 C ATOM 887 O VAL A 51 7.634 -2.950 2.069 1.00 53.13 O ATOM 888 CB VAL A 51 6.556 -6.058 2.258 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.711 -7.141 2.933 1.00 22.24 C ATOM 890 CG2 VAL A 51 5.889 -5.563 0.973 1.00 42.33 C ATOM 0 H VAL A 51 4.904 -4.241 2.711 1.00 34.04 H new ATOM 0 HA VAL A 51 7.182 -5.340 4.150 1.00 63.40 H new ATOM 0 HB VAL A 51 7.515 -6.501 1.987 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.531 -7.954 2.229 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.241 -7.526 3.804 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.758 -6.716 3.247 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.706 -6.408 0.309 1.00 42.33 H new ATOM 0 HG22 VAL A 51 4.942 -5.082 1.217 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.543 -4.846 0.477 1.00 42.33 H new ATOM 900 N PRO A 52 9.193 -4.319 3.047 1.00 31.35 N ATOM 901 CA PRO A 52 10.332 -3.516 2.638 1.00 52.22 C ATOM 902 C PRO A 52 10.628 -3.702 1.149 1.00 45.42 C ATOM 903 O PRO A 52 9.932 -4.447 0.463 1.00 24.12 O ATOM 904 CB PRO A 52 11.474 -3.970 3.533 1.00 72.44 C ATOM 905 CG PRO A 52 11.058 -5.325 4.084 1.00 72.05 C ATOM 906 CD PRO A 52 9.572 -5.502 3.815 1.00 62.34 C ATOM 0 HA PRO A 52 10.156 -2.446 2.751 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.405 -4.046 2.971 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.646 -3.257 4.339 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.630 -6.122 3.609 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.262 -5.381 5.153 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.377 -6.417 3.256 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.006 -5.569 4.744 1.00 62.34 H new ATOM 914 N ALA A 53 11.663 -3.011 0.694 1.00 53.20 N ATOM 915 CA ALA A 53 12.061 -3.092 -0.701 1.00 13.10 C ATOM 916 C ALA A 53 13.144 -4.161 -0.859 1.00 64.41 C ATOM 917 O ALA A 53 13.856 -4.185 -1.861 1.00 65.24 O ATOM 918 CB ALA A 53 12.528 -1.715 -1.180 1.00 72.45 C ATOM 0 H ALA A 53 12.238 -2.393 1.267 1.00 53.20 H new ATOM 0 HA ALA A 53 11.216 -3.385 -1.323 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.827 -1.776 -2.227 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.714 -0.998 -1.076 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.377 -1.389 -0.579 1.00 72.45 H new ATOM 924 N ASP A 54 13.232 -5.020 0.146 1.00 11.31 N ATOM 925 CA ASP A 54 14.216 -6.089 0.132 1.00 24.43 C ATOM 926 C ASP A 54 13.496 -7.439 0.171 1.00 24.43 C ATOM 927 O ASP A 54 13.918 -8.391 -0.485 1.00 72.41 O ATOM 928 CB ASP A 54 15.134 -6.008 1.353 1.00 32.13 C ATOM 929 CG ASP A 54 16.314 -5.045 1.213 1.00 4.14 C ATOM 930 OD1 ASP A 54 17.024 -5.048 0.195 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.497 -4.255 2.216 1.00 61.44 O ATOM 0 H ASP A 54 12.638 -4.997 0.975 1.00 11.31 H new ATOM 0 HA ASP A 54 14.812 -5.987 -0.775 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.540 -5.707 2.216 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.521 -7.005 1.564 1.00 32.13 H new ATOM 937 N LEU A 55 12.422 -7.479 0.945 1.00 53.33 N ATOM 938 CA LEU A 55 11.639 -8.696 1.078 1.00 33.10 C ATOM 939 C LEU A 55 11.139 -9.129 -0.302 1.00 55.22 C ATOM 940 O LEU A 55 10.671 -8.302 -1.084 1.00 73.35 O ATOM 941 CB LEU A 55 10.522 -8.506 2.105 1.00 22.25 C ATOM 942 CG LEU A 55 9.953 -9.784 2.724 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.563 -10.044 4.103 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.424 -9.738 2.772 1.00 41.11 C ATOM 0 H LEU A 55 12.075 -6.688 1.487 1.00 53.33 H new ATOM 0 HA LEU A 55 12.258 -9.507 1.462 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.899 -7.874 2.909 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.706 -7.963 1.628 1.00 22.25 H new ATOM 0 HG LEU A 55 10.229 -10.624 2.086 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.141 -10.958 4.521 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.643 -10.153 4.008 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.339 -9.206 4.764 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.046 -10.659 3.216 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.104 -8.887 3.373 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.031 -9.636 1.760 1.00 41.11 H new ATOM 956 N THR A 56 11.256 -10.423 -0.559 1.00 33.54 N ATOM 957 CA THR A 56 10.823 -10.976 -1.831 1.00 20.24 C ATOM 958 C THR A 56 9.385 -11.490 -1.726 1.00 22.22 C ATOM 959 O THR A 56 8.725 -11.295 -0.707 1.00 33.44 O ATOM 960 CB THR A 56 11.825 -12.055 -2.245 1.00 3.12 C ATOM 961 OG1 THR A 56 11.307 -13.250 -1.668 1.00 4.55 O ATOM 962 CG2 THR A 56 13.188 -11.876 -1.572 1.00 24.15 C ATOM 0 H THR A 56 11.645 -11.105 0.092 1.00 33.54 H new ATOM 0 HA THR A 56 10.807 -10.213 -2.609 1.00 20.24 H new ATOM 0 HB THR A 56 11.949 -12.039 -3.328 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.127 -13.904 -2.376 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.862 -12.667 -1.900 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.605 -10.907 -1.847 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.069 -11.926 -0.490 1.00 24.15 H new ATOM 970 N VAL A 57 8.943 -12.137 -2.795 1.00 60.44 N ATOM 971 CA VAL A 57 7.596 -12.680 -2.836 1.00 24.01 C ATOM 972 C VAL A 57 7.518 -13.908 -1.926 1.00 24.23 C ATOM 973 O VAL A 57 6.617 -14.014 -1.095 1.00 23.23 O ATOM 974 CB VAL A 57 7.198 -12.982 -4.282 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.177 -14.120 -4.344 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.662 -11.728 -4.976 1.00 3.30 C ATOM 0 H VAL A 57 9.494 -12.297 -3.639 1.00 60.44 H new ATOM 0 HA VAL A 57 6.878 -11.951 -2.460 1.00 24.01 H new ATOM 0 HB VAL A 57 8.093 -13.305 -4.815 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.911 -14.314 -5.383 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.608 -15.020 -3.905 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.283 -13.838 -3.788 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.386 -11.970 -6.002 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.785 -11.363 -4.441 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.432 -10.957 -4.979 1.00 3.30 H new ATOM 986 N GLY A 58 8.475 -14.805 -2.114 1.00 11.12 N ATOM 987 CA GLY A 58 8.526 -16.022 -1.320 1.00 42.23 C ATOM 988 C GLY A 58 8.793 -15.705 0.153 1.00 73.23 C ATOM 989 O GLY A 58 8.699 -16.583 1.008 1.00 60.02 O ATOM 0 H GLY A 58 9.221 -14.714 -2.804 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.584 -16.562 -1.414 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.309 -16.677 -1.702 1.00 42.23 H new ATOM 993 N GLN A 59 9.123 -14.446 0.404 1.00 64.11 N ATOM 994 CA GLN A 59 9.404 -14.002 1.758 1.00 61.51 C ATOM 995 C GLN A 59 8.155 -13.377 2.382 1.00 64.21 C ATOM 996 O GLN A 59 7.999 -13.378 3.602 1.00 44.31 O ATOM 997 CB GLN A 59 10.579 -13.021 1.781 1.00 30.41 C ATOM 998 CG GLN A 59 11.908 -13.753 1.582 1.00 65.32 C ATOM 999 CD GLN A 59 13.005 -13.142 2.456 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.384 -13.676 3.486 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.493 -11.997 1.990 1.00 1.14 N ATOM 0 H GLN A 59 9.202 -13.720 -0.308 1.00 64.11 H new ATOM 0 HA GLN A 59 9.687 -14.870 2.353 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.450 -12.275 0.997 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.593 -12.487 2.731 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.787 -14.808 1.828 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.202 -13.702 0.534 1.00 65.32 H new ATOM 0 HE21 GLN A 59 13.131 -11.604 1.121 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.230 -11.511 2.501 1.00 1.14 H new ATOM 1010 N PHE A 60 7.298 -12.855 1.517 1.00 0.21 N ATOM 1011 CA PHE A 60 6.068 -12.227 1.968 1.00 52.15 C ATOM 1012 C PHE A 60 5.076 -13.272 2.485 1.00 43.15 C ATOM 1013 O PHE A 60 4.538 -13.132 3.582 1.00 50.40 O ATOM 1014 CB PHE A 60 5.458 -11.518 0.757 1.00 50.40 C ATOM 1015 CG PHE A 60 4.118 -10.836 1.045 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.073 -9.735 1.843 1.00 51.21 C ATOM 1017 CD2 PHE A 60 2.974 -11.331 0.503 1.00 61.34 C ATOM 1018 CE1 PHE A 60 2.830 -9.103 2.110 1.00 1.22 C ATOM 1019 CE2 PHE A 60 1.730 -10.699 0.770 1.00 62.21 C ATOM 1020 CZ PHE A 60 1.685 -9.598 1.568 1.00 23.01 C ATOM 0 H PHE A 60 7.431 -12.854 0.506 1.00 0.21 H new ATOM 0 HA PHE A 60 6.281 -11.533 2.781 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.163 -10.771 0.393 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.320 -12.244 -0.045 1.00 50.40 H new ATOM 0 HD1 PHE A 60 4.982 -9.342 2.273 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.011 -12.205 -0.131 1.00 61.34 H new ATOM 0 HE1 PHE A 60 2.794 -8.229 2.744 1.00 1.22 H new ATOM 0 HE2 PHE A 60 0.821 -11.092 0.340 1.00 62.21 H new ATOM 0 HZ PHE A 60 0.740 -9.117 1.771 1.00 23.01 H new ATOM 1030 N VAL A 61 4.865 -14.295 1.670 1.00 32.35 N ATOM 1031 CA VAL A 61 3.949 -15.363 2.031 1.00 5.44 C ATOM 1032 C VAL A 61 4.124 -15.700 3.513 1.00 71.34 C ATOM 1033 O VAL A 61 3.147 -15.769 4.258 1.00 5.54 O ATOM 1034 CB VAL A 61 4.163 -16.568 1.114 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.180 -17.692 1.448 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.054 -16.165 -0.357 1.00 73.01 C ATOM 0 H VAL A 61 5.313 -14.407 0.760 1.00 32.35 H new ATOM 0 HA VAL A 61 2.916 -15.044 1.890 1.00 5.44 H new ATOM 0 HB VAL A 61 5.172 -16.943 1.284 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.353 -18.537 0.782 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.326 -18.008 2.481 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.159 -17.332 1.320 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.210 -17.041 -0.987 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.064 -15.752 -0.549 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.810 -15.414 -0.586 1.00 73.01 H new ATOM 1046 N TYR A 62 5.376 -15.901 3.897 1.00 14.20 N ATOM 1047 CA TYR A 62 5.691 -16.229 5.277 1.00 74.54 C ATOM 1048 C TYR A 62 4.906 -15.341 6.246 1.00 34.14 C ATOM 1049 O TYR A 62 4.365 -15.826 7.238 1.00 35.32 O ATOM 1050 CB TYR A 62 7.186 -15.950 5.447 1.00 44.14 C ATOM 1051 CG TYR A 62 7.577 -15.478 6.848 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.225 -16.229 7.952 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.280 -14.302 7.010 1.00 62.34 C ATOM 1054 CE1 TYR A 62 7.593 -15.785 9.271 1.00 24.10 C ATOM 1055 CE2 TYR A 62 8.648 -13.858 8.330 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.286 -14.622 9.396 1.00 2.21 C ATOM 1057 OH TYR A 62 8.633 -14.203 10.641 1.00 63.13 O ATOM 0 H TYR A 62 6.184 -15.843 3.277 1.00 14.20 H new ATOM 0 HA TYR A 62 5.432 -17.265 5.493 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.743 -16.857 5.212 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.488 -15.194 4.723 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.674 -17.149 7.826 1.00 22.21 H new ATOM 0 HD2 TYR A 62 8.555 -13.714 6.147 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.324 -16.363 10.143 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.199 -12.940 8.470 1.00 24.35 H new ATOM 0 HH TYR A 62 9.125 -13.358 10.576 1.00 63.13 H new ATOM 1067 N VAL A 63 4.870 -14.056 5.924 1.00 52.24 N ATOM 1068 CA VAL A 63 4.160 -13.097 6.752 1.00 35.03 C ATOM 1069 C VAL A 63 2.676 -13.464 6.791 1.00 4.02 C ATOM 1070 O VAL A 63 2.021 -13.308 7.821 1.00 23.34 O ATOM 1071 CB VAL A 63 4.412 -11.678 6.241 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.712 -10.644 7.125 1.00 65.32 C ATOM 1073 CG2 VAL A 63 5.911 -11.388 6.141 1.00 44.31 C ATOM 0 H VAL A 63 5.321 -13.657 5.101 1.00 52.24 H new ATOM 0 HA VAL A 63 4.529 -13.129 7.777 1.00 35.03 H new ATOM 0 HB VAL A 63 3.989 -11.604 5.239 1.00 11.21 H new ATOM 0 HG11 VAL A 63 3.908 -9.643 6.739 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.638 -10.830 7.122 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.091 -10.720 8.144 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.061 -10.372 5.775 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.368 -11.491 7.125 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.373 -12.094 5.451 1.00 44.31 H new ATOM 1083 N ILE A 64 2.186 -13.943 5.658 1.00 25.51 N ATOM 1084 CA ILE A 64 0.791 -14.333 5.550 1.00 30.30 C ATOM 1085 C ILE A 64 0.563 -15.621 6.344 1.00 3.31 C ATOM 1086 O ILE A 64 -0.459 -15.770 7.011 1.00 53.34 O ATOM 1087 CB ILE A 64 0.375 -14.434 4.081 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.034 -13.333 3.247 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -1.148 -14.425 3.940 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.000 -11.993 3.984 1.00 35.01 C ATOM 0 H ILE A 64 2.731 -14.070 4.805 1.00 25.51 H new ATOM 0 HA ILE A 64 0.147 -13.570 5.988 1.00 30.30 H new ATOM 0 HB ILE A 64 0.729 -15.389 3.691 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.066 -13.606 3.029 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.520 -13.239 2.290 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.416 -14.498 2.886 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.568 -15.273 4.481 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.546 -13.498 4.352 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.475 -11.228 3.370 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.035 -11.711 4.179 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.536 -12.084 4.929 1.00 35.01 H new ATOM 1102 N ARG A 65 1.531 -16.519 6.244 1.00 63.25 N ATOM 1103 CA ARG A 65 1.449 -17.789 6.945 1.00 61.31 C ATOM 1104 C ARG A 65 1.617 -17.577 8.451 1.00 12.01 C ATOM 1105 O ARG A 65 1.480 -18.516 9.233 1.00 41.52 O ATOM 1106 CB ARG A 65 2.523 -18.761 6.452 1.00 31.34 C ATOM 1107 CG ARG A 65 2.038 -20.208 6.547 1.00 61.42 C ATOM 1108 CD ARG A 65 1.294 -20.623 5.276 1.00 12.15 C ATOM 1109 NE ARG A 65 2.193 -20.511 4.105 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.994 -21.505 3.667 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.016 -22.697 4.300 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.757 -21.295 2.611 1.00 34.13 N ATOM 0 H ARG A 65 2.377 -16.393 5.688 1.00 63.25 H new ATOM 0 HA ARG A 65 0.467 -18.216 6.742 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.783 -18.528 5.419 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.430 -18.638 7.045 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.889 -20.870 6.707 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.381 -20.319 7.410 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.935 -21.648 5.373 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.418 -19.990 5.134 1.00 12.15 H new ATOM 0 HE ARG A 65 2.208 -19.627 3.597 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.424 -22.852 5.116 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.624 -23.443 3.962 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.736 -20.391 2.138 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.368 -22.036 2.268 1.00 34.13 H new ATOM 1126 N LYS A 66 1.910 -16.336 8.812 1.00 55.44 N ATOM 1127 CA LYS A 66 2.097 -15.988 10.210 1.00 1.33 C ATOM 1128 C LYS A 66 0.758 -15.548 10.806 1.00 70.51 C ATOM 1129 O LYS A 66 0.365 -16.020 11.872 1.00 24.42 O ATOM 1130 CB LYS A 66 3.208 -14.946 10.359 1.00 12.24 C ATOM 1131 CG LYS A 66 4.540 -15.612 10.713 1.00 14.13 C ATOM 1132 CD LYS A 66 5.476 -14.625 11.413 1.00 31.51 C ATOM 1133 CE LYS A 66 6.401 -15.350 12.394 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.817 -15.348 13.754 1.00 62.23 N ATOM 0 H LYS A 66 2.022 -15.559 8.160 1.00 55.44 H new ATOM 0 HA LYS A 66 2.428 -16.858 10.777 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.313 -14.386 9.430 1.00 12.24 H new ATOM 0 HB3 LYS A 66 2.938 -14.229 11.135 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.361 -16.471 11.360 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.015 -15.989 9.807 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.072 -14.094 10.671 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.889 -13.877 11.946 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.561 -16.376 12.062 1.00 71.45 H new ATOM 0 HE3 LYS A 66 7.377 -14.864 12.410 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.457 -15.844 14.407 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.687 -14.367 14.074 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.897 -15.832 13.737 1.00 62.23 H new ATOM 1148 N ARG A 67 0.095 -14.652 10.092 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.192 -14.143 10.536 1.00 11.04 C ATOM 1150 C ARG A 67 -2.157 -15.301 10.799 1.00 10.11 C ATOM 1151 O ARG A 67 -2.570 -15.523 11.936 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.803 -13.205 9.494 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.388 -11.755 9.751 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.225 -11.135 10.873 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.688 -11.541 12.190 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.700 -10.890 12.838 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.133 -9.792 12.295 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.297 -11.341 14.012 1.00 2.44 N ATOM 0 H ARG A 67 0.425 -14.264 9.208 1.00 1.25 H new ATOM 0 HA ARG A 67 -1.028 -13.585 11.458 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.484 -13.507 8.496 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.890 -13.286 9.519 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.332 -11.717 10.017 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.508 -11.172 8.838 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.215 -10.048 10.787 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.264 -11.453 10.781 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.090 -12.365 12.636 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.451 -9.449 11.389 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.614 -9.305 12.791 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.732 -12.170 14.416 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.449 -10.860 14.514 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.490 -16.007 9.728 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.399 -17.135 9.829 1.00 51.02 C ATOM 1174 C ILE A 68 -2.672 -18.314 10.478 1.00 1.12 C ATOM 1175 O ILE A 68 -3.274 -19.357 10.731 1.00 65.40 O ATOM 1176 CB ILE A 68 -4.002 -17.461 8.461 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.922 -17.485 7.378 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.137 -16.494 8.117 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.375 -18.309 6.171 1.00 64.50 C ATOM 0 H ILE A 68 -2.146 -15.819 8.786 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.243 -16.888 10.473 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.434 -18.461 8.508 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.695 -16.466 7.063 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -2.002 -17.905 7.785 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.548 -16.748 7.140 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.921 -16.570 8.871 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.752 -15.474 8.095 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.589 -18.310 5.416 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.578 -19.333 6.485 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.281 -17.872 5.751 1.00 64.50 H new ATOM 1191 N MET A 69 -1.387 -18.110 10.728 1.00 12.12 N ATOM 1192 CA MET A 69 -0.570 -19.144 11.342 1.00 64.34 C ATOM 1193 C MET A 69 -0.860 -20.512 10.720 1.00 52.33 C ATOM 1194 O MET A 69 -0.901 -21.521 11.423 1.00 32.01 O ATOM 1195 CB MET A 69 -0.857 -19.195 12.844 1.00 12.53 C ATOM 1196 CG MET A 69 -2.290 -19.657 13.114 1.00 10.21 C ATOM 1197 SD MET A 69 -2.463 -20.146 14.822 1.00 12.40 S ATOM 1198 CE MET A 69 -3.121 -18.637 15.511 1.00 45.12 C ATOM 0 H MET A 69 -0.891 -17.244 10.517 1.00 12.12 H new ATOM 0 HA MET A 69 0.479 -18.903 11.171 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.155 -19.873 13.329 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.701 -18.209 13.281 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.989 -18.853 12.885 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.540 -20.493 12.461 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.290 -18.768 16.580 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.411 -17.825 15.353 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.065 -18.395 15.022 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.051 -20.502 9.410 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.334 -21.730 8.685 1.00 10.14 C ATOM 1210 C LEU A 70 -0.243 -22.759 8.988 1.00 2.25 C ATOM 1211 O LEU A 70 0.934 -22.412 9.076 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.513 -21.443 7.193 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.609 -22.240 6.484 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.902 -22.241 7.300 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.829 -21.722 5.060 1.00 2.24 C ATOM 0 H LEU A 70 -1.016 -19.663 8.831 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.279 -22.160 9.018 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.726 -20.381 7.071 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.566 -21.638 6.690 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.280 -23.276 6.403 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.664 -22.815 6.773 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.717 -22.693 8.275 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.248 -21.216 7.435 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.613 -22.306 4.578 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.127 -20.674 5.096 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.904 -21.817 4.491 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.683 -24.036 9.140 1.00 43.24 N ATOM 1228 CA PRO A 71 0.243 -25.118 9.430 1.00 13.55 C ATOM 1229 C PRO A 71 1.040 -25.506 8.184 1.00 75.31 C ATOM 1230 O PRO A 71 0.701 -25.099 7.074 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.626 -26.249 9.956 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.043 -25.930 9.507 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.070 -24.483 9.042 1.00 33.31 C ATOM 0 HA PRO A 71 0.999 -24.840 10.165 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.298 -27.210 9.560 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.566 -26.315 11.042 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.347 -26.596 8.699 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.746 -26.081 10.326 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.441 -24.402 8.020 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.726 -23.878 9.668 1.00 33.31 H new ATOM 1241 N PRO A 72 2.114 -26.308 8.415 1.00 11.43 N ATOM 1242 CA PRO A 72 2.962 -26.756 7.324 1.00 73.31 C ATOM 1243 C PRO A 72 2.274 -27.852 6.508 1.00 14.34 C ATOM 1244 O PRO A 72 2.844 -28.367 5.547 1.00 14.13 O ATOM 1245 CB PRO A 72 4.244 -27.227 7.990 1.00 1.11 C ATOM 1246 CG PRO A 72 3.892 -27.461 9.451 1.00 12.50 C ATOM 1247 CD PRO A 72 2.545 -26.809 9.716 1.00 2.00 C ATOM 0 HA PRO A 72 3.171 -25.966 6.602 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.612 -28.142 7.525 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.032 -26.480 7.893 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.848 -28.529 9.667 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.657 -27.035 10.101 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.831 -27.526 10.121 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.632 -26.001 10.443 1.00 2.00 H new ATOM 1255 N GLU A 73 1.057 -28.177 6.921 1.00 4.32 N ATOM 1256 CA GLU A 73 0.285 -29.203 6.240 1.00 33.04 C ATOM 1257 C GLU A 73 -0.670 -28.564 5.230 1.00 15.04 C ATOM 1258 O GLU A 73 -1.401 -29.267 4.532 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.477 -30.071 7.243 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.796 -29.411 7.649 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.550 -30.272 8.665 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -2.238 -30.233 9.864 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.492 -31.000 8.169 1.00 11.00 O ATOM 0 H GLU A 73 0.587 -27.748 7.718 1.00 4.32 H new ATOM 0 HA GLU A 73 0.974 -29.851 5.699 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -0.675 -31.049 6.805 1.00 51.24 H new ATOM 0 HB3 GLU A 73 0.138 -30.236 8.127 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.599 -28.428 8.076 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.416 -29.257 6.766 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.635 -27.241 5.184 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.488 -26.500 4.270 1.00 74.24 C ATOM 1273 C LYS A 74 -0.623 -25.825 3.204 1.00 4.24 C ATOM 1274 O LYS A 74 0.599 -25.955 3.218 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.383 -25.529 5.043 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.698 -26.200 5.450 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.872 -25.637 4.645 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.985 -26.676 4.502 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.957 -26.550 5.611 1.00 72.20 N ATOM 0 H LYS A 74 -0.029 -26.662 5.765 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.166 -27.176 3.748 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.860 -25.176 5.932 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.592 -24.654 4.428 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.626 -27.276 5.291 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.875 -26.046 6.514 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.262 -24.746 5.138 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.527 -25.330 3.658 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.494 -26.543 3.547 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.557 -27.678 4.498 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.706 -27.263 5.499 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -6.470 -26.699 6.518 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.379 -25.599 5.597 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.293 -25.119 2.305 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.600 -24.422 1.234 1.00 13.52 C ATOM 1295 C ALA A 75 -1.164 -23.007 1.104 1.00 54.01 C ATOM 1296 O ALA A 75 -2.311 -22.755 1.472 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.730 -25.224 -0.063 1.00 3.35 C ATOM 0 H ALA A 75 -2.308 -25.014 2.296 1.00 2.43 H new ATOM 0 HA ALA A 75 0.463 -24.333 1.458 1.00 13.52 H new ATOM 0 HB1 ALA A 75 -0.211 -24.702 -0.867 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.288 -26.211 0.074 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.784 -25.331 -0.321 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.333 -22.119 0.579 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.735 -20.734 0.395 1.00 65.33 C ATOM 1305 C ILE A 76 0.047 -20.132 -0.774 1.00 4.31 C ATOM 1306 O ILE A 76 1.273 -20.041 -0.724 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.584 -19.955 1.703 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.749 -18.984 1.901 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.771 -19.244 1.765 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.482 -18.036 3.072 1.00 43.42 C ATOM 0 H ILE A 76 0.617 -22.331 0.275 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.792 -20.674 0.136 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.613 -20.666 2.529 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.904 -18.407 0.990 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.666 -19.544 2.084 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.853 -18.698 2.705 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.572 -19.981 1.703 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.854 -18.547 0.932 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.326 -17.357 3.190 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.351 -18.615 3.986 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.578 -17.460 2.875 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.694 -19.736 -1.798 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.086 -19.144 -2.978 1.00 62.30 C ATOM 1324 C PHE A 77 -0.545 -17.697 -3.164 1.00 33.33 C ATOM 1325 O PHE A 77 -1.708 -17.375 -2.925 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.546 -19.971 -4.181 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.211 -21.460 -4.076 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -1.017 -22.292 -3.364 1.00 44.34 C ATOM 1329 CD2 PHE A 77 0.895 -21.953 -4.697 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.705 -23.674 -3.268 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.207 -23.335 -4.601 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.400 -24.166 -3.888 1.00 35.23 C ATOM 0 H PHE A 77 -1.710 -19.813 -1.835 1.00 12.42 H new ATOM 0 HA PHE A 77 0.999 -19.142 -2.876 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.624 -19.859 -4.295 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.086 -19.568 -5.083 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.895 -21.902 -2.871 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.536 -21.293 -5.263 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.346 -24.334 -2.702 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.085 -23.726 -5.094 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.637 -25.217 -3.814 1.00 35.23 H new ATOM 1342 N ILE A 78 0.393 -16.863 -3.589 1.00 3.55 N ATOM 1343 CA ILE A 78 0.100 -15.457 -3.809 1.00 70.04 C ATOM 1344 C ILE A 78 -0.481 -15.276 -5.213 1.00 63.43 C ATOM 1345 O ILE A 78 -0.263 -16.108 -6.092 1.00 62.34 O ATOM 1346 CB ILE A 78 1.341 -14.603 -3.543 1.00 15.11 C ATOM 1347 CG1 ILE A 78 2.012 -15.006 -2.229 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.998 -13.112 -3.578 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.382 -14.272 -1.043 1.00 44.32 C ATOM 0 H ILE A 78 1.356 -17.134 -3.787 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.655 -15.110 -3.103 1.00 70.04 H new ATOM 0 HB ILE A 78 2.060 -14.787 -4.341 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.920 -16.083 -2.085 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.077 -14.780 -2.276 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.898 -12.527 -3.386 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.600 -12.853 -4.559 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.252 -12.892 -2.814 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.878 -14.577 -0.121 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.497 -13.197 -1.178 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.322 -14.519 -0.984 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.212 -14.183 -5.380 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.826 -13.883 -6.662 1.00 2.04 C ATOM 1363 C PHE A 79 -1.982 -12.373 -6.854 1.00 53.42 C ATOM 1364 O PHE A 79 -2.602 -11.699 -6.033 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.212 -14.530 -6.657 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.249 -15.925 -7.284 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.976 -16.083 -8.607 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.556 -17.006 -6.520 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -3.011 -17.378 -9.189 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.592 -18.301 -7.101 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.318 -18.459 -8.425 1.00 62.01 C ATOM 0 H PHE A 79 -1.393 -13.495 -4.649 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.203 -14.263 -7.471 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.568 -14.595 -5.629 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.906 -13.883 -7.194 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.733 -15.224 -9.215 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.773 -16.880 -5.470 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.793 -17.504 -10.239 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.836 -19.160 -6.493 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.345 -19.444 -8.868 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.409 -11.885 -7.945 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.477 -10.467 -8.255 1.00 62.12 C ATOM 1383 C VAL A 80 -2.023 -10.285 -9.673 1.00 53.14 C ATOM 1384 O VAL A 80 -1.320 -10.536 -10.651 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.104 -9.821 -8.056 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.237 -8.322 -7.783 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.672 -10.517 -6.937 1.00 72.24 C ATOM 0 H VAL A 80 -0.896 -12.446 -8.625 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.162 -9.960 -7.575 1.00 62.12 H new ATOM 0 HB VAL A 80 0.461 -9.943 -8.980 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.753 -7.888 -7.645 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.730 -7.841 -8.628 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.829 -8.168 -6.881 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.644 -10.039 -6.816 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.112 -10.442 -6.005 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.814 -11.567 -7.191 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.273 -9.851 -9.740 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.922 -9.633 -11.021 1.00 42.34 C ATOM 1399 C ASN A 81 -4.213 -10.985 -11.677 1.00 23.52 C ATOM 1400 O ASN A 81 -4.385 -11.064 -12.892 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.022 -8.834 -11.966 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.261 -7.745 -11.206 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.781 -6.684 -10.904 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -1.003 -8.066 -10.918 1.00 23.44 N ATOM 0 H ASN A 81 -3.854 -9.644 -8.927 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.842 -9.076 -10.842 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.314 -9.504 -12.454 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.625 -8.380 -12.752 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.411 -7.406 -10.414 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.630 -8.972 -11.201 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.260 -12.013 -10.843 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.527 -13.357 -11.327 1.00 23.32 C ATOM 1413 C ASP A 82 -3.232 -13.966 -11.868 1.00 11.03 C ATOM 1414 O ASP A 82 -3.268 -14.897 -12.671 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.552 -13.340 -12.462 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.417 -14.598 -12.572 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.638 -15.309 -11.580 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -6.878 -14.841 -13.752 1.00 63.05 O ATOM 0 H ASP A 82 -4.118 -11.943 -9.835 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.919 -13.943 -10.496 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -6.206 -12.478 -12.328 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.025 -13.196 -13.405 1.00 70.50 H new ATOM 1424 N THR A 83 -2.119 -13.418 -11.406 1.00 42.44 N ATOM 1425 CA THR A 83 -0.815 -13.895 -11.834 1.00 61.11 C ATOM 1426 C THR A 83 0.033 -14.289 -10.622 1.00 21.15 C ATOM 1427 O THR A 83 -0.006 -13.623 -9.589 1.00 74.25 O ATOM 1428 CB THR A 83 -0.172 -12.808 -12.696 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.690 -13.525 -13.576 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.774 -11.909 -11.898 1.00 30.14 C ATOM 0 H THR A 83 -2.093 -12.647 -10.739 1.00 42.44 H new ATOM 0 HA THR A 83 -0.904 -14.798 -12.438 1.00 61.11 H new ATOM 0 HB THR A 83 -0.953 -12.199 -13.151 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.146 -12.895 -14.172 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.203 -11.155 -12.558 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.220 -11.418 -11.098 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.574 -12.513 -11.469 1.00 30.14 H new ATOM 1438 N LEU A 84 0.779 -15.372 -10.789 1.00 12.33 N ATOM 1439 CA LEU A 84 1.633 -15.863 -9.722 1.00 64.22 C ATOM 1440 C LEU A 84 3.078 -15.441 -9.997 1.00 22.45 C ATOM 1441 O LEU A 84 3.723 -15.975 -10.898 1.00 1.12 O ATOM 1442 CB LEU A 84 1.457 -17.372 -9.545 1.00 62.51 C ATOM 1443 CG LEU A 84 1.217 -17.857 -8.114 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.273 -18.088 -7.855 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.053 -19.101 -7.809 1.00 5.15 C ATOM 0 H LEU A 84 0.809 -15.922 -11.647 1.00 12.33 H new ATOM 0 HA LEU A 84 1.345 -15.418 -8.769 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.618 -17.695 -10.162 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.347 -17.869 -9.931 1.00 62.51 H new ATOM 0 HG LEU A 84 1.544 -17.075 -7.429 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.415 -18.432 -6.831 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.817 -17.155 -8.003 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.650 -18.841 -8.547 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.863 -19.425 -6.786 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.781 -19.900 -8.499 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.111 -18.866 -7.925 1.00 5.15 H new ATOM 1457 N PRO A 85 3.556 -14.462 -9.184 1.00 73.14 N ATOM 1458 CA PRO A 85 4.912 -13.962 -9.331 1.00 54.01 C ATOM 1459 C PRO A 85 5.929 -14.964 -8.778 1.00 31.32 C ATOM 1460 O PRO A 85 5.568 -15.872 -8.031 1.00 23.50 O ATOM 1461 CB PRO A 85 4.925 -12.635 -8.590 1.00 13.52 C ATOM 1462 CG PRO A 85 3.718 -12.660 -7.668 1.00 42.32 C ATOM 1463 CD PRO A 85 2.821 -13.806 -8.105 1.00 13.01 C ATOM 0 HA PRO A 85 5.198 -13.824 -10.374 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.848 -12.514 -8.022 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.867 -11.798 -9.286 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.031 -12.794 -6.633 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.180 -11.714 -7.718 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.628 -14.494 -7.282 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.853 -13.442 -8.449 1.00 13.01 H new ATOM 1471 N PRO A 86 7.213 -14.761 -9.179 1.00 12.01 N ATOM 1472 CA PRO A 86 8.283 -15.635 -8.733 1.00 0.14 C ATOM 1473 C PRO A 86 8.656 -15.348 -7.278 1.00 13.22 C ATOM 1474 O PRO A 86 7.939 -14.632 -6.580 1.00 70.44 O ATOM 1475 CB PRO A 86 9.427 -15.381 -9.701 1.00 21.33 C ATOM 1476 CG PRO A 86 9.125 -14.047 -10.363 1.00 1.45 C ATOM 1477 CD PRO A 86 7.676 -13.696 -10.065 1.00 12.41 C ATOM 0 HA PRO A 86 7.998 -16.687 -8.741 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.382 -15.349 -9.177 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.496 -16.178 -10.442 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.791 -13.273 -9.983 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.289 -14.109 -11.439 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.595 -12.720 -9.587 1.00 12.41 H new ATOM 0 HD3 PRO A 86 7.082 -13.654 -10.978 1.00 12.41 H new ATOM 1485 N THR A 87 9.776 -15.921 -6.863 1.00 44.33 N ATOM 1486 CA THR A 87 10.253 -15.734 -5.502 1.00 62.41 C ATOM 1487 C THR A 87 11.294 -14.615 -5.451 1.00 30.31 C ATOM 1488 O THR A 87 11.360 -13.868 -4.477 1.00 14.22 O ATOM 1489 CB THR A 87 10.780 -17.079 -4.998 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.114 -17.138 -5.496 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.082 -18.268 -5.662 1.00 50.43 C ATOM 0 H THR A 87 10.367 -16.515 -7.444 1.00 44.33 H new ATOM 0 HA THR A 87 9.448 -15.415 -4.840 1.00 62.41 H new ATOM 0 HB THR A 87 10.648 -17.138 -3.918 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.532 -17.979 -5.214 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.494 -19.198 -5.269 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.013 -18.226 -5.451 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.241 -18.228 -6.740 1.00 50.43 H new ATOM 1499 N ALA A 88 12.083 -14.536 -6.513 1.00 71.44 N ATOM 1500 CA ALA A 88 13.119 -13.520 -6.600 1.00 13.45 C ATOM 1501 C ALA A 88 12.506 -12.216 -7.116 1.00 44.20 C ATOM 1502 O ALA A 88 13.223 -11.254 -7.388 1.00 63.25 O ATOM 1503 CB ALA A 88 14.253 -14.024 -7.495 1.00 64.41 C ATOM 0 H ALA A 88 12.026 -15.158 -7.319 1.00 71.44 H new ATOM 0 HA ALA A 88 13.543 -13.319 -5.616 1.00 13.45 H new ATOM 0 HB1 ALA A 88 15.030 -13.263 -7.561 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.673 -14.936 -7.071 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.864 -14.233 -8.492 1.00 64.41 H new ATOM 1509 N ALA A 89 11.187 -12.226 -7.233 1.00 34.45 N ATOM 1510 CA ALA A 89 10.469 -11.055 -7.711 1.00 73.43 C ATOM 1511 C ALA A 89 10.395 -10.017 -6.590 1.00 42.11 C ATOM 1512 O ALA A 89 9.307 -9.643 -6.156 1.00 30.52 O ATOM 1513 CB ALA A 89 9.085 -11.474 -8.212 1.00 61.45 C ATOM 0 H ALA A 89 10.596 -13.026 -7.005 1.00 34.45 H new ATOM 0 HA ALA A 89 10.994 -10.598 -8.550 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.547 -10.597 -8.570 1.00 61.45 H new ATOM 0 HB2 ALA A 89 9.194 -12.190 -9.026 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.527 -11.934 -7.397 1.00 61.45 H new ATOM 1519 N LEU A 90 11.566 -9.579 -6.154 1.00 64.42 N ATOM 1520 CA LEU A 90 11.648 -8.589 -5.092 1.00 63.51 C ATOM 1521 C LEU A 90 10.346 -7.787 -5.049 1.00 52.21 C ATOM 1522 O LEU A 90 9.948 -7.187 -6.046 1.00 54.01 O ATOM 1523 CB LEU A 90 12.899 -7.724 -5.262 1.00 34.25 C ATOM 1524 CG LEU A 90 13.920 -7.793 -4.124 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.055 -9.221 -3.594 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.267 -7.215 -4.562 1.00 41.31 C ATOM 0 H LEU A 90 12.467 -9.891 -6.516 1.00 64.42 H new ATOM 0 HA LEU A 90 11.755 -9.076 -4.123 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.395 -8.015 -6.188 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.586 -6.687 -5.381 1.00 34.25 H new ATOM 0 HG LEU A 90 13.557 -7.178 -3.301 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.787 -9.242 -2.786 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.090 -9.563 -3.219 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.384 -9.878 -4.399 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.975 -7.276 -3.735 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.649 -7.784 -5.410 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.138 -6.173 -4.854 1.00 41.31 H new ATOM 1538 N MET A 91 9.719 -7.802 -3.881 1.00 32.43 N ATOM 1539 CA MET A 91 8.469 -7.084 -3.694 1.00 22.31 C ATOM 1540 C MET A 91 8.601 -5.629 -4.149 1.00 44.01 C ATOM 1541 O MET A 91 7.600 -4.968 -4.422 1.00 41.02 O ATOM 1542 CB MET A 91 8.075 -7.123 -2.216 1.00 61.30 C ATOM 1543 CG MET A 91 7.965 -8.565 -1.716 1.00 10.20 C ATOM 1544 SD MET A 91 6.524 -9.348 -2.423 1.00 71.21 S ATOM 1545 CE MET A 91 5.321 -8.050 -2.188 1.00 3.14 C ATOM 0 H MET A 91 10.053 -8.300 -3.056 1.00 32.43 H new ATOM 0 HA MET A 91 7.700 -7.566 -4.297 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.815 -6.585 -1.624 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.122 -6.612 -2.076 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.862 -9.122 -1.987 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.899 -8.577 -0.628 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.317 -8.474 -2.218 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.485 -7.573 -1.222 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.426 -7.309 -2.981 1.00 3.14 H new ATOM 1555 N SER A 92 9.843 -5.173 -4.217 1.00 61.22 N ATOM 1556 CA SER A 92 10.118 -3.809 -4.635 1.00 10.22 C ATOM 1557 C SER A 92 9.811 -3.645 -6.125 1.00 3.55 C ATOM 1558 O SER A 92 9.177 -2.672 -6.528 1.00 30.35 O ATOM 1559 CB SER A 92 11.571 -3.428 -4.348 1.00 12.35 C ATOM 1560 OG SER A 92 11.768 -2.016 -4.371 1.00 55.11 O ATOM 0 H SER A 92 10.671 -5.724 -3.990 1.00 61.22 H new ATOM 0 HA SER A 92 9.475 -3.140 -4.063 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.862 -3.819 -3.373 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.221 -3.897 -5.087 1.00 12.35 H new ATOM 0 HG SER A 92 12.719 -1.821 -4.502 1.00 55.11 H new ATOM 1566 N ALA A 93 10.275 -4.612 -6.902 1.00 51.43 N ATOM 1567 CA ALA A 93 10.057 -4.589 -8.338 1.00 44.32 C ATOM 1568 C ALA A 93 8.629 -5.044 -8.641 1.00 70.44 C ATOM 1569 O ALA A 93 8.173 -4.956 -9.781 1.00 35.31 O ATOM 1570 CB ALA A 93 11.107 -5.463 -9.027 1.00 51.33 C ATOM 0 H ALA A 93 10.802 -5.417 -6.564 1.00 51.43 H new ATOM 0 HA ALA A 93 10.169 -3.577 -8.727 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.944 -5.446 -10.105 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.103 -5.079 -8.805 1.00 51.33 H new ATOM 0 HB3 ALA A 93 11.023 -6.487 -8.663 1.00 51.33 H new ATOM 1576 N ILE A 94 7.961 -5.522 -7.601 1.00 40.34 N ATOM 1577 CA ILE A 94 6.593 -5.992 -7.742 1.00 0.42 C ATOM 1578 C ILE A 94 5.633 -4.814 -7.567 1.00 61.53 C ATOM 1579 O ILE A 94 4.725 -4.622 -8.375 1.00 44.40 O ATOM 1580 CB ILE A 94 6.323 -7.153 -6.782 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.235 -8.343 -7.091 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.845 -7.545 -6.797 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.806 -9.041 -8.383 1.00 10.40 C ATOM 0 H ILE A 94 8.342 -5.594 -6.657 1.00 40.34 H new ATOM 0 HA ILE A 94 6.429 -6.392 -8.743 1.00 0.42 H new ATOM 0 HB ILE A 94 6.557 -6.821 -5.771 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.266 -8.001 -7.183 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.207 -9.052 -6.264 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.681 -8.372 -6.106 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.239 -6.692 -6.492 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.560 -7.851 -7.804 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.470 -9.883 -8.580 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.783 -9.403 -8.279 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.859 -8.336 -9.212 1.00 10.40 H new ATOM 1595 N TYR A 95 5.866 -4.055 -6.506 1.00 51.15 N ATOM 1596 CA TYR A 95 5.034 -2.899 -6.215 1.00 20.24 C ATOM 1597 C TYR A 95 5.278 -1.779 -7.226 1.00 42.21 C ATOM 1598 O TYR A 95 4.584 -0.763 -7.212 1.00 45.41 O ATOM 1599 CB TYR A 95 5.454 -2.417 -4.825 1.00 42.53 C ATOM 1600 CG TYR A 95 4.896 -1.044 -4.448 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.421 0.097 -5.021 1.00 42.40 C ATOM 1602 CD2 TYR A 95 3.865 -0.945 -3.535 1.00 32.12 C ATOM 1603 CE1 TYR A 95 4.896 1.389 -4.666 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.340 0.348 -3.180 1.00 52.14 C ATOM 1605 CZ TYR A 95 3.880 1.452 -3.763 1.00 24.44 C ATOM 1606 OH TYR A 95 3.384 2.672 -3.428 1.00 51.50 O ATOM 0 H TYR A 95 6.619 -4.218 -5.837 1.00 51.15 H new ATOM 0 HA TYR A 95 3.978 -3.164 -6.264 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.127 -3.147 -4.084 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.542 -2.381 -4.778 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.226 0.020 -5.736 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.452 -1.837 -3.087 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.299 2.289 -5.107 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.535 0.439 -2.466 1.00 52.14 H new ATOM 0 HH TYR A 95 2.572 2.849 -3.947 1.00 51.50 H new ATOM 1616 N GLN A 96 6.266 -2.000 -8.081 1.00 41.34 N ATOM 1617 CA GLN A 96 6.610 -1.021 -9.099 1.00 40.14 C ATOM 1618 C GLN A 96 5.924 -1.367 -10.421 1.00 73.33 C ATOM 1619 O GLN A 96 5.892 -0.549 -11.340 1.00 35.05 O ATOM 1620 CB GLN A 96 8.126 -0.924 -9.276 1.00 62.44 C ATOM 1621 CG GLN A 96 8.484 -0.424 -10.676 1.00 73.05 C ATOM 1622 CD GLN A 96 7.939 0.985 -10.911 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.688 1.744 -9.989 1.00 22.34 O ATOM 1624 NE2 GLN A 96 7.770 1.294 -12.194 1.00 34.13 N ATOM 0 H GLN A 96 6.840 -2.843 -8.090 1.00 41.34 H new ATOM 0 HA GLN A 96 6.253 -0.044 -8.772 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.540 -0.248 -8.528 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.578 -1.901 -9.108 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.567 -0.424 -10.800 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.077 -1.104 -11.424 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.000 0.612 -12.917 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.411 2.212 -12.454 1.00 34.13 H new ATOM 1633 N GLU A 97 5.392 -2.578 -10.477 1.00 32.44 N ATOM 1634 CA GLU A 97 4.709 -3.042 -11.672 1.00 2.21 C ATOM 1635 C GLU A 97 3.266 -3.431 -11.342 1.00 41.50 C ATOM 1636 O GLU A 97 2.483 -3.742 -12.239 1.00 31.31 O ATOM 1637 CB GLU A 97 5.459 -4.212 -12.313 1.00 65.22 C ATOM 1638 CG GLU A 97 4.899 -5.552 -11.831 1.00 55.53 C ATOM 1639 CD GLU A 97 5.732 -6.718 -12.366 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.948 -6.771 -12.129 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.073 -7.591 -13.050 1.00 70.13 O ATOM 0 H GLU A 97 5.420 -3.253 -9.713 1.00 32.44 H new ATOM 0 HA GLU A 97 4.689 -2.226 -12.395 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.379 -4.149 -13.398 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.519 -4.147 -12.068 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.891 -5.576 -10.741 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.865 -5.658 -12.160 1.00 55.53 H new ATOM 1649 N HIS A 98 2.958 -3.399 -10.053 1.00 3.52 N ATOM 1650 CA HIS A 98 1.623 -3.743 -9.595 1.00 21.22 C ATOM 1651 C HIS A 98 1.020 -2.559 -8.837 1.00 61.24 C ATOM 1652 O HIS A 98 0.018 -2.709 -8.140 1.00 1.42 O ATOM 1653 CB HIS A 98 1.650 -5.028 -8.764 1.00 32.21 C ATOM 1654 CG HIS A 98 1.850 -6.283 -9.579 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.345 -6.434 -10.859 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.506 -7.442 -9.284 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.687 -7.634 -11.304 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.406 -8.258 -10.326 1.00 24.24 N ATOM 0 H HIS A 98 3.610 -3.140 -9.312 1.00 3.52 H new ATOM 0 HA HIS A 98 0.980 -3.946 -10.452 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.449 -4.955 -8.027 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.714 -5.111 -8.212 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.020 -7.659 -8.359 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.440 -8.046 -12.271 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.801 -9.196 -10.386 1.00 24.24 H new ATOM 1667 N LYS A 99 1.655 -1.408 -8.999 1.00 12.51 N ATOM 1668 CA LYS A 99 1.194 -0.199 -8.339 1.00 13.43 C ATOM 1669 C LYS A 99 -0.116 0.260 -8.983 1.00 32.40 C ATOM 1670 O LYS A 99 -0.402 -0.083 -10.129 1.00 3.15 O ATOM 1671 CB LYS A 99 2.290 0.869 -8.349 1.00 4.34 C ATOM 1672 CG LYS A 99 2.825 1.092 -9.763 1.00 4.14 C ATOM 1673 CD LYS A 99 2.592 2.535 -10.216 1.00 12.25 C ATOM 1674 CE LYS A 99 3.133 2.761 -11.629 1.00 60.42 C ATOM 1675 NZ LYS A 99 4.596 2.540 -11.666 1.00 53.51 N ATOM 0 H LYS A 99 2.486 -1.287 -9.578 1.00 12.51 H new ATOM 0 HA LYS A 99 0.982 -0.396 -7.288 1.00 13.43 H new ATOM 0 HB2 LYS A 99 1.894 1.805 -7.954 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.105 0.565 -7.692 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.891 0.865 -9.792 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.334 0.406 -10.454 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.526 2.760 -10.191 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.079 3.221 -9.522 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.639 2.084 -12.326 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.904 3.776 -11.954 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 4.990 2.965 -12.530 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 5.035 2.980 -10.832 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 4.793 1.519 -11.662 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.878 1.028 -8.217 1.00 41.20 N ATOM 1690 CA ASP A 100 -2.151 1.537 -8.699 1.00 31.41 C ATOM 1691 C ASP A 100 -2.227 3.041 -8.431 1.00 24.34 C ATOM 1692 O ASP A 100 -1.349 3.605 -7.780 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.321 0.867 -7.975 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.055 -0.203 -8.785 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -3.799 -1.406 -8.633 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.936 0.248 -9.613 1.00 2.43 O ATOM 0 H ASP A 100 -0.638 1.310 -7.266 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.218 1.324 -9.766 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.949 0.414 -7.056 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -4.037 1.636 -7.684 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.287 3.648 -8.945 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.490 5.076 -8.770 1.00 45.13 C ATOM 1704 C LYS A 101 -3.302 5.436 -7.295 1.00 14.41 C ATOM 1705 O LYS A 101 -2.700 6.459 -6.973 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.846 5.498 -9.338 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.952 5.146 -10.824 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.979 6.036 -11.527 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.406 5.622 -11.161 1.00 51.00 C ATOM 1710 NZ LYS A 101 -8.389 6.450 -11.894 1.00 33.55 N ATOM 0 H LYS A 101 -4.014 3.177 -9.483 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.746 5.639 -9.333 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.645 5.004 -8.786 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.982 6.571 -9.204 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.978 5.263 -11.299 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.237 4.100 -10.934 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.816 7.077 -11.247 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.843 5.971 -12.607 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.558 4.569 -11.400 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.559 5.731 -10.087 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -9.352 6.156 -11.634 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -8.253 7.451 -11.646 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.253 6.326 -12.918 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.829 4.575 -6.437 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.727 4.789 -5.004 1.00 44.11 C ATOM 1726 C ASP A 102 -2.255 4.749 -4.590 1.00 52.35 C ATOM 1727 O ASP A 102 -1.850 5.440 -3.655 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.466 3.696 -4.229 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.397 2.301 -4.855 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.374 1.817 -5.445 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.265 1.697 -4.717 1.00 40.41 O ATOM 0 H ASP A 102 -4.328 3.727 -6.707 1.00 24.54 H new ATOM 0 HA ASP A 102 -4.173 5.757 -4.776 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.056 3.646 -3.220 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.513 3.984 -4.133 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.494 3.935 -5.306 1.00 12.34 N ATOM 1738 CA GLY A 103 -0.075 3.796 -5.024 1.00 1.51 C ATOM 1739 C GLY A 103 0.206 2.512 -4.242 1.00 42.14 C ATOM 1740 O GLY A 103 1.202 1.834 -4.491 1.00 30.21 O ATOM 0 H GLY A 103 -1.833 3.365 -6.081 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.486 3.787 -5.959 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.272 4.657 -4.453 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.689 2.217 -3.311 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.550 1.025 -2.490 1.00 12.24 C ATOM 1746 C PHE A 104 -0.743 -0.241 -3.325 1.00 72.13 C ATOM 1747 O PHE A 104 -1.541 -0.258 -4.261 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.643 1.090 -1.421 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.248 1.882 -0.173 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.485 3.219 -0.114 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -0.659 1.248 0.876 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -1.118 3.955 1.044 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -0.292 1.985 2.034 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.529 3.322 2.093 1.00 62.30 C ATOM 0 H PHE A 104 -1.513 2.782 -3.107 1.00 53.45 H new ATOM 0 HA PHE A 104 0.447 0.989 -2.051 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.536 1.539 -1.856 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -1.908 0.075 -1.125 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.952 3.722 -0.948 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -0.470 0.186 0.829 1.00 73.23 H new ATOM 0 HE1 PHE A 104 -1.307 5.017 1.091 1.00 70.41 H new ATOM 0 HE2 PHE A 104 0.176 1.482 2.868 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.249 3.882 2.973 1.00 62.30 H new ATOM 1764 N LEU A 105 0.002 -1.274 -2.957 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.077 -2.543 -3.661 1.00 0.04 C ATOM 1766 C LEU A 105 -1.302 -3.317 -3.170 1.00 11.52 C ATOM 1767 O LEU A 105 -1.850 -3.014 -2.112 1.00 74.42 O ATOM 1768 CB LEU A 105 1.235 -3.316 -3.520 1.00 42.33 C ATOM 1769 CG LEU A 105 2.149 -3.314 -4.747 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.888 -4.538 -5.627 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.015 -2.006 -5.529 1.00 71.12 C ATOM 0 H LEU A 105 0.663 -1.258 -2.180 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.210 -2.378 -4.730 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.789 -2.902 -2.678 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.999 -4.350 -3.269 1.00 42.33 H new ATOM 0 HG LEU A 105 3.182 -3.379 -4.404 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.551 -4.512 -6.492 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.076 -5.445 -5.053 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.851 -4.530 -5.964 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.675 -2.031 -6.396 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.984 -1.885 -5.862 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.290 -1.169 -4.888 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.696 -4.301 -3.964 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.847 -5.122 -3.624 1.00 42.31 C ATOM 1785 C TYR A 106 -2.601 -6.588 -3.987 1.00 52.24 C ATOM 1786 O TYR A 106 -2.931 -7.022 -5.089 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.008 -4.589 -4.466 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.697 -3.360 -3.867 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.606 -3.510 -2.840 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.410 -2.102 -4.355 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -6.255 -2.355 -2.278 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -5.059 -0.946 -3.793 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.949 -1.129 -2.781 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.562 -0.038 -2.250 1.00 44.34 O ATOM 0 H TYR A 106 -1.239 -4.549 -4.842 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.050 -5.075 -2.554 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.637 -4.337 -5.460 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.746 -5.381 -4.592 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.831 -4.495 -2.458 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.698 -1.984 -5.159 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.969 -2.459 -1.475 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.844 0.044 -4.167 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.246 0.769 -2.706 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.025 -7.310 -3.038 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.731 -8.718 -3.244 1.00 40.22 C ATOM 1806 C VAL A 107 -2.886 -9.560 -2.699 1.00 71.32 C ATOM 1807 O VAL A 107 -3.766 -9.043 -2.012 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.384 -9.070 -2.609 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.405 -8.813 -1.101 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.004 -10.518 -2.913 1.00 51.41 C ATOM 0 H VAL A 107 -1.754 -6.947 -2.124 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.641 -8.938 -4.308 1.00 40.22 H new ATOM 0 HB VAL A 107 0.373 -8.421 -3.049 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.564 -9.071 -0.674 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.615 -7.760 -0.914 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.180 -9.425 -0.638 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.965 -10.742 -2.450 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.756 -11.190 -2.514 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.080 -10.656 -3.992 1.00 51.41 H new ATOM 1820 N THR A 108 -2.847 -10.843 -3.027 1.00 21.14 N ATOM 1821 CA THR A 108 -3.880 -11.762 -2.580 1.00 55.41 C ATOM 1822 C THR A 108 -3.330 -13.188 -2.505 1.00 62.50 C ATOM 1823 O THR A 108 -2.707 -13.666 -3.451 1.00 11.44 O ATOM 1824 CB THR A 108 -5.078 -11.621 -3.521 1.00 74.21 C ATOM 1825 OG1 THR A 108 -4.931 -10.318 -4.077 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.409 -11.558 -2.769 1.00 22.42 C ATOM 0 H THR A 108 -2.116 -11.268 -3.597 1.00 21.14 H new ATOM 0 HA THR A 108 -4.212 -11.522 -1.570 1.00 55.41 H new ATOM 0 HB THR A 108 -5.094 -12.460 -4.217 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.666 -10.144 -4.701 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.226 -11.458 -3.483 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.543 -12.472 -2.190 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.407 -10.699 -2.097 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.581 -13.825 -1.371 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.118 -15.187 -1.161 1.00 32.00 C ATOM 1836 C TYR A 109 -4.298 -16.155 -1.045 1.00 31.13 C ATOM 1837 O TYR A 109 -5.337 -15.809 -0.484 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.354 -15.172 0.163 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.237 -14.929 1.389 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.548 -13.640 1.771 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.722 -15.999 2.114 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.380 -13.411 2.924 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.553 -15.771 3.267 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.841 -14.488 3.616 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.626 -14.272 4.705 1.00 35.34 O ATOM 0 H TYR A 109 -4.098 -13.424 -0.589 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.500 -15.516 -1.996 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.837 -16.124 0.283 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.589 -14.397 0.120 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.167 -12.803 1.205 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.478 -17.008 1.816 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.632 -12.407 3.232 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.939 -16.600 3.842 1.00 51.34 H new ATOM 0 HH TYR A 109 -5.882 -15.132 5.099 1.00 35.34 H new ATOM 1855 N SER A 110 -4.098 -17.348 -1.585 1.00 65.21 N ATOM 1856 CA SER A 110 -5.132 -18.369 -1.549 1.00 13.24 C ATOM 1857 C SER A 110 -4.495 -19.756 -1.440 1.00 41.23 C ATOM 1858 O SER A 110 -3.458 -20.016 -2.049 1.00 40.25 O ATOM 1859 CB SER A 110 -6.026 -18.291 -2.788 1.00 42.53 C ATOM 1860 OG SER A 110 -7.164 -19.141 -2.679 1.00 73.50 O ATOM 0 H SER A 110 -3.235 -17.631 -2.050 1.00 65.21 H new ATOM 0 HA SER A 110 -5.756 -18.193 -0.673 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.355 -17.262 -2.934 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.449 -18.569 -3.670 1.00 42.53 H new ATOM 0 HG SER A 110 -7.789 -18.946 -3.408 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.142 -20.609 -0.662 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.653 -21.964 -0.466 1.00 10.15 C ATOM 1868 C GLY A 111 -4.683 -22.752 -1.776 1.00 11.13 C ATOM 1869 O GLY A 111 -4.134 -23.851 -1.857 1.00 34.05 O ATOM 0 H GLY A 111 -6.002 -20.389 -0.159 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.635 -21.934 -0.078 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.264 -22.470 0.281 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.330 -22.163 -2.771 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.439 -22.797 -4.073 1.00 65.25 C ATOM 1875 C GLU A 112 -4.611 -22.031 -5.107 1.00 62.14 C ATOM 1876 O GLU A 112 -4.714 -20.810 -5.209 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.902 -22.902 -4.511 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.393 -21.579 -5.102 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.922 -21.515 -5.105 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.504 -20.594 -4.513 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.506 -22.464 -5.753 1.00 41.42 O ATOM 0 H GLU A 112 -5.784 -21.252 -2.701 1.00 51.04 H new ATOM 0 HA GLU A 112 -5.043 -23.810 -3.997 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -7.008 -23.696 -5.250 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.522 -23.176 -3.657 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.992 -20.747 -4.524 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.019 -21.470 -6.120 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.809 -22.782 -5.848 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.963 -22.189 -6.871 1.00 34.31 C ATOM 1891 C ASN A 113 -3.686 -22.242 -8.217 1.00 20.23 C ATOM 1892 O ASN A 113 -3.078 -22.552 -9.241 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.647 -22.958 -7.010 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.758 -22.330 -8.085 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.047 -21.278 -8.631 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.338 -23.033 -8.359 1.00 31.33 N ATOM 0 H ASN A 113 -3.727 -23.795 -5.761 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.751 -21.160 -6.580 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.121 -22.963 -6.055 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.854 -23.997 -7.265 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.996 -22.698 -9.063 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.520 -23.906 -7.865 1.00 31.33 H new ATOM 2441 N ILE B 629 4.496 -7.693 9.490 1.00 24.41 N ATOM 2442 CA ILE B 629 3.975 -7.575 8.139 1.00 43.42 C ATOM 2443 C ILE B 629 5.131 -7.680 7.141 1.00 31.11 C ATOM 2444 O ILE B 629 5.086 -7.081 6.069 1.00 23.45 O ATOM 2445 CB ILE B 629 3.152 -6.294 7.992 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.889 -5.095 8.593 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.756 -6.467 8.592 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.289 -4.955 7.991 1.00 61.41 C ATOM 0 HA ILE B 629 3.289 -8.394 7.922 1.00 43.42 H new ATOM 0 HB ILE B 629 3.023 -6.092 6.929 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.318 -4.184 8.411 1.00 52.51 H new ATOM 0 HG13 ILE B 629 3.964 -5.214 9.674 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.192 -5.542 8.474 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.237 -7.276 8.078 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.843 -6.707 9.652 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.792 -4.096 8.435 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.865 -5.858 8.195 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.209 -4.812 6.913 1.00 61.41 H new ATOM 2460 N ALA B 630 6.138 -8.448 7.530 1.00 41.41 N ATOM 2461 CA ALA B 630 7.303 -8.641 6.683 1.00 34.31 C ATOM 2462 C ALA B 630 8.295 -9.567 7.391 1.00 73.25 C ATOM 2463 O ALA B 630 8.923 -9.174 8.373 1.00 11.20 O ATOM 2464 CB ALA B 630 7.916 -7.281 6.341 1.00 15.34 C ATOM 0 H ALA B 630 6.171 -8.944 8.421 1.00 41.41 H new ATOM 0 HA ALA B 630 7.021 -9.117 5.744 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.790 -7.425 5.706 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.181 -6.673 5.814 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.214 -6.775 7.259 1.00 15.34 H new