USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=25 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= -6.2! K(o=-12!,f=-4) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -5.48! K(o=-12!,f=-4) USER MOD Single : A 4 THR OG1 : rot -147:sc= 0.221! USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= -5.14! (180deg=-6.09!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 167:sc= -4.53! USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -0.156 (180deg=-0.873) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -154:sc= 0.695 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 33 CYS SG : rot -100:sc= -0.138 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -8.1! (180deg=-8.39!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 70:sc= -1.59! USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -1.45 (180deg=-1.88) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -1.93 (180deg=-2.27) USER MOD Single : A 49 TYR OH : rot 180:sc= -4.72! USER MOD Single : A 56 THR OG1 : rot 170:sc= -0.506 USER MOD Single : A 59 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.17) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.17 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+ -164:sc= -2.44! (180deg=-3.22!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 91 MET CE :methyl 175:sc= 0 (180deg=-0.0142) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 95 TYR OH : rot 96:sc= 0.011 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= -0.26 (180deg=-0.846) USER MOD Single : A 106 TYR OH : rot -152:sc= -0.207 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0553 USER MOD Single : A 110 SER OG : rot 79:sc= 0.828 USER MOD Single : A 113 ASN : amide:sc= -2.25 K(o=-2.2,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.178 -4.357 4.708 1.00 53.15 N ATOM 70 CA THR A 4 -11.024 -4.004 6.108 1.00 1.20 C ATOM 71 C THR A 4 -10.307 -2.659 6.245 1.00 34.02 C ATOM 72 O THR A 4 -10.946 -1.608 6.244 1.00 52.13 O ATOM 73 CB THR A 4 -10.297 -5.154 6.808 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.059 -5.258 6.109 1.00 53.12 O ATOM 75 CG2 THR A 4 -10.973 -6.506 6.571 1.00 74.44 C ATOM 0 HA THR A 4 -11.992 -3.870 6.590 1.00 1.20 H new ATOM 0 HB THR A 4 -10.250 -4.955 7.879 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.772 -6.195 6.090 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.417 -7.287 7.090 1.00 74.44 H new ATOM 0 HG22 THR A 4 -11.994 -6.474 6.952 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.991 -6.722 5.503 1.00 74.44 H new ATOM 83 N PHE A 5 -8.989 -2.736 6.358 1.00 11.00 N ATOM 84 CA PHE A 5 -8.179 -1.539 6.495 1.00 22.31 C ATOM 85 C PHE A 5 -8.548 -0.502 5.430 1.00 41.51 C ATOM 86 O PHE A 5 -8.404 0.699 5.653 1.00 44.32 O ATOM 87 CB PHE A 5 -6.722 -1.960 6.295 1.00 64.21 C ATOM 88 CG PHE A 5 -5.757 -0.789 6.095 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.810 -0.052 4.952 1.00 10.12 C ATOM 90 CD2 PHE A 5 -4.845 -0.485 7.056 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.915 1.035 4.765 1.00 0.14 C ATOM 92 CE2 PHE A 5 -3.950 0.602 6.870 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.005 1.339 5.729 1.00 2.25 C ATOM 0 H PHE A 5 -8.462 -3.610 6.357 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.342 -1.089 7.474 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.400 -2.539 7.161 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.661 -2.620 5.429 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.533 -0.294 4.187 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -4.801 -1.071 7.962 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.957 1.620 3.858 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.226 0.843 7.635 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.326 2.167 5.588 1.00 2.25 H new ATOM 103 N LYS A 6 -9.017 -1.005 4.298 1.00 54.43 N ATOM 104 CA LYS A 6 -9.408 -0.138 3.200 1.00 61.10 C ATOM 105 C LYS A 6 -10.907 0.153 3.294 1.00 23.11 C ATOM 106 O LYS A 6 -11.381 1.162 2.774 1.00 53.24 O ATOM 107 CB LYS A 6 -8.983 -0.744 1.861 1.00 72.11 C ATOM 108 CG LYS A 6 -7.480 -1.033 1.843 1.00 41.42 C ATOM 109 CD LYS A 6 -7.013 -1.421 0.438 1.00 55.05 C ATOM 110 CE LYS A 6 -8.034 -2.331 -0.247 1.00 11.24 C ATOM 111 NZ LYS A 6 -8.337 -3.503 0.605 1.00 41.43 N ATOM 0 H LYS A 6 -9.135 -2.002 4.117 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.892 0.819 3.269 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -9.537 -1.666 1.683 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.235 -0.059 1.051 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -6.933 -0.153 2.182 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.253 -1.839 2.541 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -6.862 -0.522 -0.160 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -6.050 -1.929 0.498 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -8.949 -1.774 -0.448 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -7.645 -2.664 -1.209 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -8.136 -4.377 0.078 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -7.747 -3.472 1.461 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -9.341 -3.485 0.875 1.00 41.43 H new ATOM 125 N SER A 7 -11.611 -0.749 3.962 1.00 32.24 N ATOM 126 CA SER A 7 -13.047 -0.601 4.131 1.00 10.10 C ATOM 127 C SER A 7 -13.342 0.453 5.200 1.00 13.42 C ATOM 128 O SER A 7 -14.480 0.898 5.339 1.00 63.35 O ATOM 129 CB SER A 7 -13.698 -1.935 4.506 1.00 44.33 C ATOM 130 OG SER A 7 -14.106 -1.964 5.871 1.00 52.21 O ATOM 0 H SER A 7 -11.214 -1.584 4.392 1.00 32.24 H new ATOM 0 HA SER A 7 -13.472 -0.275 3.182 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.562 -2.109 3.865 1.00 44.33 H new ATOM 0 HB3 SER A 7 -12.995 -2.747 4.320 1.00 44.33 H new ATOM 0 HG SER A 7 -14.518 -2.830 6.071 1.00 52.21 H new ATOM 136 N GLU A 8 -12.297 0.820 5.928 1.00 33.03 N ATOM 137 CA GLU A 8 -12.431 1.812 6.981 1.00 53.01 C ATOM 138 C GLU A 8 -12.600 3.207 6.376 1.00 75.05 C ATOM 139 O GLU A 8 -13.519 3.939 6.742 1.00 11.10 O ATOM 140 CB GLU A 8 -11.233 1.768 7.931 1.00 50.33 C ATOM 141 CG GLU A 8 -11.584 2.385 9.286 1.00 33.05 C ATOM 142 CD GLU A 8 -12.434 3.646 9.111 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.664 3.588 9.248 1.00 71.32 O ATOM 144 OE2 GLU A 8 -11.769 4.714 8.824 1.00 31.12 O ATOM 0 H GLU A 8 -11.355 0.448 5.809 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.323 1.579 7.563 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.912 0.736 8.070 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.394 2.306 7.489 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -12.126 1.658 9.891 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -10.669 2.631 9.826 1.00 33.05 H new ATOM 152 N TYR A 9 -11.699 3.534 5.461 1.00 11.51 N ATOM 153 CA TYR A 9 -11.736 4.829 4.803 1.00 34.03 C ATOM 154 C TYR A 9 -11.762 4.669 3.281 1.00 13.04 C ATOM 155 O TYR A 9 -11.557 3.572 2.766 1.00 20.14 O ATOM 156 CB TYR A 9 -10.446 5.545 5.208 1.00 23.45 C ATOM 157 CG TYR A 9 -9.310 4.603 5.606 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.194 4.175 6.914 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.400 4.179 4.660 1.00 32.35 C ATOM 160 CE1 TYR A 9 -8.124 3.288 7.289 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.330 3.292 5.035 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.244 2.889 6.331 1.00 24.23 C ATOM 163 OH TYR A 9 -6.234 2.052 6.686 1.00 62.13 O ATOM 0 H TYR A 9 -10.939 2.924 5.160 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.629 5.382 5.093 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.113 6.169 4.378 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.660 6.212 6.043 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.906 4.506 7.656 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.490 4.513 3.637 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -8.022 2.947 8.309 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.611 2.954 4.303 1.00 14.04 H new ATOM 0 HH TYR A 9 -5.815 1.684 5.880 1.00 62.13 H new ATOM 173 N PRO A 10 -12.021 5.810 2.589 1.00 21.33 N ATOM 174 CA PRO A 10 -12.076 5.808 1.136 1.00 5.43 C ATOM 175 C PRO A 10 -10.671 5.720 0.535 1.00 23.30 C ATOM 176 O PRO A 10 -9.679 5.739 1.261 1.00 24.20 O ATOM 177 CB PRO A 10 -12.802 7.091 0.767 1.00 2.54 C ATOM 178 CG PRO A 10 -12.714 7.985 1.993 1.00 23.32 C ATOM 179 CD PRO A 10 -12.269 7.128 3.166 1.00 44.44 C ATOM 0 HA PRO A 10 -12.602 4.941 0.736 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.340 7.567 -0.098 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.840 6.890 0.503 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.006 8.796 1.823 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.681 8.444 2.201 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.370 7.531 3.633 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.037 7.084 3.938 1.00 44.44 H new ATOM 187 N PHE A 11 -10.633 5.627 -0.787 1.00 12.11 N ATOM 188 CA PHE A 11 -9.368 5.537 -1.493 1.00 25.15 C ATOM 189 C PHE A 11 -8.535 6.805 -1.291 1.00 3.34 C ATOM 190 O PHE A 11 -7.331 6.729 -1.047 1.00 13.02 O ATOM 191 CB PHE A 11 -9.695 5.389 -2.981 1.00 73.12 C ATOM 192 CG PHE A 11 -8.581 5.869 -3.915 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.500 7.183 -4.256 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.674 4.980 -4.402 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.465 7.627 -5.122 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.640 5.426 -5.268 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.558 6.739 -5.610 1.00 72.02 C ATOM 0 H PHE A 11 -11.458 5.612 -1.386 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.792 4.692 -1.116 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.906 4.341 -3.193 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.605 5.948 -3.200 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.221 7.888 -3.869 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.740 3.937 -4.131 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.398 8.670 -5.393 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.919 4.721 -5.655 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.772 7.077 -6.269 1.00 72.02 H new ATOM 207 N GLU A 12 -9.208 7.940 -1.398 1.00 32.21 N ATOM 208 CA GLU A 12 -8.545 9.222 -1.230 1.00 43.50 C ATOM 209 C GLU A 12 -7.711 9.224 0.052 1.00 41.32 C ATOM 210 O GLU A 12 -6.771 10.005 0.184 1.00 72.13 O ATOM 211 CB GLU A 12 -9.559 10.367 -1.227 1.00 61.12 C ATOM 212 CG GLU A 12 -9.839 10.856 -2.648 1.00 72.25 C ATOM 213 CD GLU A 12 -10.985 11.871 -2.664 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.156 11.485 -2.535 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.623 13.100 -2.814 1.00 20.32 O ATOM 0 H GLU A 12 -10.206 7.999 -1.599 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.875 9.376 -2.076 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.488 10.034 -0.764 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.180 11.191 -0.623 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.940 11.311 -3.063 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.091 10.008 -3.285 1.00 72.25 H new ATOM 223 N LYS A 13 -8.086 8.340 0.965 1.00 5.43 N ATOM 224 CA LYS A 13 -7.384 8.228 2.233 1.00 64.41 C ATOM 225 C LYS A 13 -6.105 7.413 2.033 1.00 40.34 C ATOM 226 O LYS A 13 -5.081 7.697 2.653 1.00 3.22 O ATOM 227 CB LYS A 13 -8.312 7.665 3.311 1.00 65.01 C ATOM 228 CG LYS A 13 -7.807 8.025 4.710 1.00 14.12 C ATOM 229 CD LYS A 13 -8.894 8.737 5.518 1.00 72.31 C ATOM 230 CE LYS A 13 -8.693 10.253 5.491 1.00 2.41 C ATOM 231 NZ LYS A 13 -7.402 10.616 6.118 1.00 34.20 N ATOM 0 H LYS A 13 -8.867 7.694 0.852 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.081 9.212 2.590 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.319 8.058 3.171 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.376 6.582 3.211 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -7.494 7.120 5.232 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -6.929 8.666 4.630 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -9.875 8.489 5.112 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.877 8.383 6.549 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.717 10.611 4.462 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.511 10.744 6.019 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -7.494 11.536 6.594 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.138 9.891 6.815 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -6.666 10.677 5.386 1.00 34.20 H new ATOM 245 N ARG A 14 -6.206 6.416 1.166 1.00 61.35 N ATOM 246 CA ARG A 14 -5.070 5.557 0.878 1.00 70.54 C ATOM 247 C ARG A 14 -4.019 6.321 0.069 1.00 72.40 C ATOM 248 O ARG A 14 -2.857 6.391 0.464 1.00 21.25 O ATOM 249 CB ARG A 14 -5.503 4.315 0.095 1.00 65.45 C ATOM 250 CG ARG A 14 -4.529 3.158 0.322 1.00 13.40 C ATOM 251 CD ARG A 14 -5.139 2.104 1.250 1.00 22.22 C ATOM 252 NE ARG A 14 -4.102 1.130 1.660 1.00 41.21 N ATOM 253 CZ ARG A 14 -3.054 1.432 2.456 1.00 43.14 C ATOM 254 NH1 ARG A 14 -2.895 2.685 2.935 1.00 33.03 N ATOM 255 NH2 ARG A 14 -2.187 0.485 2.760 1.00 2.22 N ATOM 0 H ARG A 14 -7.057 6.184 0.654 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.643 5.242 1.830 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.505 4.017 0.403 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.553 4.550 -0.968 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -4.271 2.701 -0.634 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -3.603 3.537 0.754 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -5.566 2.585 2.130 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -5.954 1.588 0.742 1.00 22.22 H new ATOM 0 HE ARG A 14 -4.184 0.172 1.320 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -3.570 3.412 2.696 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -2.100 2.904 3.536 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -2.314 -0.459 2.395 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -1.390 0.697 3.360 1.00 2.22 H new ATOM 269 N LYS A 15 -4.468 6.875 -1.049 1.00 2.20 N ATOM 270 CA LYS A 15 -3.579 7.631 -1.916 1.00 31.35 C ATOM 271 C LYS A 15 -2.871 8.711 -1.098 1.00 5.31 C ATOM 272 O LYS A 15 -1.671 8.930 -1.260 1.00 31.23 O ATOM 273 CB LYS A 15 -4.348 8.177 -3.122 1.00 63.02 C ATOM 274 CG LYS A 15 -4.782 9.625 -2.885 1.00 33.43 C ATOM 275 CD LYS A 15 -5.818 10.063 -3.922 1.00 1.00 C ATOM 276 CE LYS A 15 -6.010 11.581 -3.898 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.761 12.027 -5.093 1.00 61.42 N ATOM 0 H LYS A 15 -5.433 6.816 -1.374 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.804 6.984 -2.326 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.722 8.122 -4.012 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.224 7.557 -3.310 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.200 9.724 -1.883 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.913 10.282 -2.934 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.498 9.749 -4.916 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.769 9.569 -3.722 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.546 11.871 -2.995 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.039 12.076 -3.865 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.883 13.059 -5.061 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.234 11.767 -5.951 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.694 11.569 -5.107 1.00 61.42 H new ATOM 291 N ALA A 16 -3.643 9.357 -0.236 1.00 43.45 N ATOM 292 CA ALA A 16 -3.103 10.409 0.609 1.00 33.41 C ATOM 293 C ALA A 16 -2.020 9.824 1.515 1.00 52.13 C ATOM 294 O ALA A 16 -1.029 10.489 1.816 1.00 11.03 O ATOM 295 CB ALA A 16 -4.239 11.060 1.400 1.00 50.03 C ATOM 0 H ALA A 16 -4.638 9.172 -0.105 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.639 11.188 0.004 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.835 11.849 2.034 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.966 11.486 0.709 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.727 10.309 2.022 1.00 50.03 H new ATOM 301 N GLU A 17 -2.246 8.585 1.929 1.00 45.42 N ATOM 302 CA GLU A 17 -1.300 7.904 2.797 1.00 11.22 C ATOM 303 C GLU A 17 -0.001 7.612 2.042 1.00 13.51 C ATOM 304 O GLU A 17 1.080 7.986 2.493 1.00 44.12 O ATOM 305 CB GLU A 17 -1.905 6.617 3.363 1.00 32.21 C ATOM 306 CG GLU A 17 -1.112 6.124 4.574 1.00 41.44 C ATOM 307 CD GLU A 17 -1.473 4.677 4.914 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.649 4.294 4.830 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.479 3.936 5.275 1.00 63.21 O ATOM 0 H GLU A 17 -3.069 8.036 1.680 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.070 8.560 3.637 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -2.941 6.794 3.650 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -1.915 5.846 2.592 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -0.044 6.197 4.368 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.316 6.765 5.432 1.00 41.44 H new ATOM 317 N SER A 18 -0.150 6.945 0.907 1.00 32.43 N ATOM 318 CA SER A 18 0.996 6.598 0.086 1.00 63.41 C ATOM 319 C SER A 18 1.737 7.867 -0.340 1.00 73.40 C ATOM 320 O SER A 18 2.884 7.803 -0.783 1.00 73.04 O ATOM 321 CB SER A 18 0.571 5.794 -1.144 1.00 72.20 C ATOM 322 OG SER A 18 -0.549 6.380 -1.803 1.00 23.24 O ATOM 0 H SER A 18 -1.049 6.636 0.537 1.00 32.43 H new ATOM 0 HA SER A 18 1.665 5.975 0.679 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.407 5.727 -1.840 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.323 4.776 -0.844 1.00 72.20 H new ATOM 0 HG SER A 18 -1.044 5.686 -2.287 1.00 23.24 H new ATOM 328 N GLU A 19 1.053 8.992 -0.192 1.00 72.31 N ATOM 329 CA GLU A 19 1.631 10.274 -0.556 1.00 1.34 C ATOM 330 C GLU A 19 2.570 10.765 0.548 1.00 3.30 C ATOM 331 O GLU A 19 3.472 11.560 0.292 1.00 22.02 O ATOM 332 CB GLU A 19 0.539 11.306 -0.846 1.00 51.31 C ATOM 333 CG GLU A 19 -0.058 11.095 -2.238 1.00 25.43 C ATOM 334 CD GLU A 19 0.687 11.926 -3.285 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.275 11.965 -4.455 1.00 65.44 O ATOM 336 OE2 GLU A 19 1.730 12.548 -2.848 1.00 13.54 O ATOM 0 H GLU A 19 0.103 9.042 0.175 1.00 72.31 H new ATOM 0 HA GLU A 19 2.212 10.142 -1.469 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.247 11.231 -0.094 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.955 12.311 -0.773 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.007 10.039 -2.503 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.112 11.372 -2.231 1.00 25.43 H new ATOM 344 N ARG A 20 2.325 10.271 1.753 1.00 64.42 N ATOM 345 CA ARG A 20 3.137 10.650 2.896 1.00 61.32 C ATOM 346 C ARG A 20 4.143 9.543 3.223 1.00 72.54 C ATOM 347 O ARG A 20 5.181 9.803 3.829 1.00 12.42 O ATOM 348 CB ARG A 20 2.267 10.918 4.125 1.00 21.21 C ATOM 349 CG ARG A 20 1.542 9.646 4.573 1.00 4.23 C ATOM 350 CD ARG A 20 1.210 9.700 6.064 1.00 54.55 C ATOM 351 NE ARG A 20 -0.015 8.917 6.338 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.480 8.648 7.578 1.00 55.13 C ATOM 353 NH1 ARG A 20 0.175 9.098 8.668 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.586 7.937 7.705 1.00 74.03 N ATOM 0 H ARG A 20 1.575 9.612 1.962 1.00 64.42 H new ATOM 0 HA ARG A 20 3.670 11.565 2.636 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.887 11.293 4.939 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.538 11.695 3.896 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.625 9.524 3.997 1.00 4.23 H new ATOM 0 HG3 ARG A 20 2.166 8.776 4.367 1.00 4.23 H new ATOM 0 HD2 ARG A 20 2.043 9.303 6.645 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.068 10.735 6.376 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.541 8.558 5.541 1.00 51.32 H new ATOM 0 HH11 ARG A 20 1.028 9.646 8.560 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.183 8.890 9.600 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.074 7.601 6.875 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -1.952 7.724 8.633 1.00 74.03 H new ATOM 368 N ILE A 21 3.799 8.333 2.806 1.00 62.20 N ATOM 369 CA ILE A 21 4.658 7.188 3.046 1.00 14.54 C ATOM 370 C ILE A 21 5.981 7.383 2.303 1.00 33.24 C ATOM 371 O ILE A 21 6.973 6.723 2.610 1.00 12.23 O ATOM 372 CB ILE A 21 3.934 5.889 2.684 1.00 70.13 C ATOM 373 CG1 ILE A 21 3.089 5.388 3.855 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.922 4.829 2.194 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.921 4.530 3.364 1.00 64.42 C ATOM 0 H ILE A 21 2.937 8.122 2.303 1.00 62.20 H new ATOM 0 HA ILE A 21 4.897 7.107 4.106 1.00 14.54 H new ATOM 0 HB ILE A 21 3.251 6.097 1.860 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.712 4.806 4.534 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.707 6.237 4.422 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.382 3.916 1.944 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.442 5.197 1.310 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.648 4.617 2.979 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.337 4.187 4.218 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.286 5.122 2.705 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.306 3.668 2.819 1.00 64.42 H new ATOM 387 N ALA A 22 5.953 8.290 1.338 1.00 53.32 N ATOM 388 CA ALA A 22 7.137 8.579 0.549 1.00 24.25 C ATOM 389 C ALA A 22 8.113 9.409 1.386 1.00 24.12 C ATOM 390 O ALA A 22 9.286 9.534 1.035 1.00 11.34 O ATOM 391 CB ALA A 22 6.727 9.290 -0.743 1.00 5.11 C ATOM 0 H ALA A 22 5.128 8.834 1.085 1.00 53.32 H new ATOM 0 HA ALA A 22 7.646 7.657 0.268 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.615 9.508 -1.336 1.00 5.11 H new ATOM 0 HB2 ALA A 22 6.057 8.648 -1.315 1.00 5.11 H new ATOM 0 HB3 ALA A 22 6.216 10.222 -0.499 1.00 5.11 H new ATOM 397 N ASP A 23 7.593 9.953 2.476 1.00 25.10 N ATOM 398 CA ASP A 23 8.404 10.766 3.365 1.00 52.05 C ATOM 399 C ASP A 23 8.714 9.970 4.636 1.00 73.32 C ATOM 400 O ASP A 23 9.711 10.231 5.307 1.00 52.31 O ATOM 401 CB ASP A 23 7.664 12.041 3.774 1.00 42.33 C ATOM 402 CG ASP A 23 8.481 13.019 4.620 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.430 12.989 5.860 1.00 25.13 O ATOM 404 OD2 ASP A 23 9.202 13.852 3.949 1.00 10.42 O ATOM 0 H ASP A 23 6.620 9.847 2.764 1.00 25.10 H new ATOM 0 HA ASP A 23 9.319 11.034 2.836 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.330 12.555 2.872 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.770 11.761 4.331 1.00 42.33 H new ATOM 410 N ARG A 24 7.841 9.018 4.927 1.00 2.03 N ATOM 411 CA ARG A 24 8.009 8.184 6.104 1.00 72.20 C ATOM 412 C ARG A 24 8.964 7.027 5.803 1.00 42.41 C ATOM 413 O ARG A 24 9.936 6.817 6.528 1.00 42.21 O ATOM 414 CB ARG A 24 6.666 7.618 6.573 1.00 3.23 C ATOM 415 CG ARG A 24 5.918 8.630 7.443 1.00 41.44 C ATOM 416 CD ARG A 24 6.397 8.565 8.894 1.00 53.35 C ATOM 417 NE ARG A 24 6.076 7.242 9.475 1.00 3.11 N ATOM 418 CZ ARG A 24 4.909 6.947 10.086 1.00 64.41 C ATOM 419 NH1 ARG A 24 3.940 7.880 10.202 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.730 5.732 10.568 1.00 54.54 N ATOM 0 H ARG A 24 7.015 8.805 4.368 1.00 2.03 H new ATOM 0 HA ARG A 24 8.425 8.807 6.896 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.056 7.355 5.709 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.831 6.700 7.137 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.071 9.635 7.051 1.00 41.44 H new ATOM 0 HG3 ARG A 24 4.847 8.430 7.400 1.00 41.44 H new ATOM 0 HD2 ARG A 24 7.472 8.740 8.939 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.921 9.353 9.478 1.00 53.35 H new ATOM 0 HE ARG A 24 6.781 6.507 9.410 1.00 3.11 H new ATOM 0 HH11 ARG A 24 4.087 8.817 9.826 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.061 7.648 10.665 1.00 24.30 H new ATOM 0 HH21 ARG A 24 5.467 5.033 10.476 1.00 54.54 H new ATOM 0 HH22 ARG A 24 3.854 5.492 11.033 1.00 54.54 H new ATOM 434 N PHE A 25 8.655 6.308 4.734 1.00 64.32 N ATOM 435 CA PHE A 25 9.474 5.179 4.330 1.00 21.45 C ATOM 436 C PHE A 25 9.517 5.050 2.805 1.00 22.31 C ATOM 437 O PHE A 25 8.726 4.314 2.218 1.00 4.20 O ATOM 438 CB PHE A 25 8.828 3.923 4.917 1.00 21.33 C ATOM 439 CG PHE A 25 8.351 4.086 6.361 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.239 3.986 7.386 1.00 62.14 C ATOM 441 CD2 PHE A 25 7.039 4.334 6.621 1.00 31.32 C ATOM 442 CE1 PHE A 25 8.797 4.138 8.727 1.00 33.12 C ATOM 443 CE2 PHE A 25 6.596 4.485 7.961 1.00 64.13 C ATOM 444 CZ PHE A 25 7.486 4.384 8.986 1.00 35.34 C ATOM 0 H PHE A 25 7.848 6.486 4.135 1.00 64.32 H new ATOM 0 HA PHE A 25 10.495 5.315 4.686 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.979 3.639 4.295 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.545 3.103 4.872 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.281 3.791 7.180 1.00 62.14 H new ATOM 0 HD2 PHE A 25 6.334 4.416 5.807 1.00 31.32 H new ATOM 0 HE1 PHE A 25 9.503 4.058 9.541 1.00 33.12 H new ATOM 0 HE2 PHE A 25 5.554 4.680 8.167 1.00 64.13 H new ATOM 0 HZ PHE A 25 7.150 4.499 10.006 1.00 35.34 H new ATOM 454 N PRO A 26 10.472 5.799 2.191 1.00 41.11 N ATOM 455 CA PRO A 26 10.629 5.777 0.747 1.00 13.25 C ATOM 456 C PRO A 26 11.299 4.480 0.288 1.00 62.02 C ATOM 457 O PRO A 26 11.098 4.039 -0.842 1.00 74.20 O ATOM 458 CB PRO A 26 11.446 7.016 0.419 1.00 14.12 C ATOM 459 CG PRO A 26 12.110 7.433 1.721 1.00 11.53 C ATOM 460 CD PRO A 26 11.427 6.683 2.855 1.00 22.31 C ATOM 0 HA PRO A 26 9.675 5.796 0.221 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.190 6.801 -0.348 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.810 7.812 0.032 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.175 7.202 1.697 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.021 8.509 1.867 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.147 6.116 3.446 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.924 7.369 3.537 1.00 22.31 H new ATOM 468 N ASN A 27 12.084 3.907 1.189 1.00 3.54 N ATOM 469 CA ASN A 27 12.786 2.670 0.890 1.00 53.31 C ATOM 470 C ASN A 27 11.930 1.482 1.337 1.00 42.04 C ATOM 471 O ASN A 27 12.445 0.518 1.900 1.00 41.30 O ATOM 472 CB ASN A 27 14.119 2.599 1.638 1.00 71.12 C ATOM 473 CG ASN A 27 15.042 3.746 1.223 1.00 53.14 C ATOM 474 OD1 ASN A 27 15.132 4.118 0.065 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.720 4.288 2.232 1.00 54.31 N ATOM 0 H ASN A 27 12.249 4.276 2.125 1.00 3.54 H new ATOM 0 HA ASN A 27 12.972 2.639 -0.184 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.940 2.642 2.712 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.604 1.645 1.434 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.361 5.062 2.058 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.599 3.929 3.179 1.00 54.31 H new ATOM 482 N ARG A 28 10.637 1.593 1.069 1.00 14.04 N ATOM 483 CA ARG A 28 9.705 0.539 1.436 1.00 70.34 C ATOM 484 C ARG A 28 8.810 0.184 0.247 1.00 20.11 C ATOM 485 O ARG A 28 8.963 0.743 -0.839 1.00 11.54 O ATOM 486 CB ARG A 28 8.829 0.967 2.616 1.00 32.42 C ATOM 487 CG ARG A 28 9.525 0.680 3.947 1.00 75.13 C ATOM 488 CD ARG A 28 9.568 -0.822 4.231 1.00 41.41 C ATOM 489 NE ARG A 28 9.489 -1.065 5.689 1.00 33.42 N ATOM 490 CZ ARG A 28 8.448 -0.688 6.464 1.00 25.54 C ATOM 491 NH1 ARG A 28 7.389 -0.048 5.925 1.00 25.31 N ATOM 492 NH2 ARG A 28 8.483 -0.956 7.756 1.00 71.52 N ATOM 0 H ARG A 28 10.213 2.395 0.603 1.00 14.04 H new ATOM 0 HA ARG A 28 10.289 -0.334 1.728 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.605 2.031 2.540 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.877 0.438 2.578 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.539 1.078 3.924 1.00 75.13 H new ATOM 0 HG3 ARG A 28 9.000 1.191 4.754 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.740 -1.320 3.726 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.488 -1.249 3.832 1.00 41.41 H new ATOM 0 HE ARG A 28 10.269 -1.547 6.137 1.00 33.42 H new ATOM 0 HH11 ARG A 28 7.370 0.155 4.926 1.00 25.31 H new ATOM 0 HH12 ARG A 28 6.607 0.233 6.517 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.287 -1.440 8.155 1.00 71.52 H new ATOM 0 HH22 ARG A 28 7.706 -0.679 8.356 1.00 71.52 H new ATOM 506 N ILE A 29 7.896 -0.743 0.492 1.00 73.21 N ATOM 507 CA ILE A 29 6.977 -1.178 -0.546 1.00 73.02 C ATOM 508 C ILE A 29 5.595 -1.417 0.070 1.00 4.10 C ATOM 509 O ILE A 29 5.367 -2.444 0.709 1.00 71.12 O ATOM 510 CB ILE A 29 7.539 -2.395 -1.284 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.943 -2.108 -1.821 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.586 -2.856 -2.388 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.893 -1.112 -2.982 1.00 4.23 C ATOM 0 H ILE A 29 7.772 -1.205 1.393 1.00 73.21 H new ATOM 0 HA ILE A 29 6.861 -0.401 -1.302 1.00 73.02 H new ATOM 0 HB ILE A 29 7.627 -3.216 -0.573 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.567 -1.709 -1.022 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.406 -3.037 -2.154 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.010 -3.722 -2.896 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.625 -3.127 -1.950 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.443 -2.048 -3.106 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.904 -0.925 -3.345 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.288 -1.524 -3.789 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.452 -0.176 -2.640 1.00 4.23 H new ATOM 525 N PRO A 30 4.690 -0.427 -0.150 1.00 11.44 N ATOM 526 CA PRO A 30 3.338 -0.520 0.376 1.00 41.20 C ATOM 527 C PRO A 30 2.502 -1.513 -0.434 1.00 64.02 C ATOM 528 O PRO A 30 2.409 -1.400 -1.655 1.00 31.24 O ATOM 529 CB PRO A 30 2.796 0.899 0.319 1.00 23.13 C ATOM 530 CG PRO A 30 3.686 1.646 -0.661 1.00 14.13 C ATOM 531 CD PRO A 30 4.926 0.801 -0.901 1.00 23.23 C ATOM 0 HA PRO A 30 3.308 -0.903 1.396 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.757 0.907 -0.012 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.821 1.366 1.303 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.158 1.823 -1.598 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.961 2.622 -0.260 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.065 0.595 -1.962 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.825 1.310 -0.554 1.00 23.23 H new ATOM 539 N VAL A 31 1.916 -2.463 0.280 1.00 35.55 N ATOM 540 CA VAL A 31 1.089 -3.474 -0.357 1.00 53.01 C ATOM 541 C VAL A 31 -0.120 -3.774 0.532 1.00 30.13 C ATOM 542 O VAL A 31 -0.206 -3.279 1.655 1.00 73.51 O ATOM 543 CB VAL A 31 1.927 -4.717 -0.665 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.397 -4.348 -0.881 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.781 -5.763 0.442 1.00 45.11 C ATOM 0 H VAL A 31 1.997 -2.554 1.293 1.00 35.55 H new ATOM 0 HA VAL A 31 0.708 -3.110 -1.311 1.00 53.01 H new ATOM 0 HB VAL A 31 1.552 -5.154 -1.591 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.970 -5.249 -1.098 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.479 -3.655 -1.719 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.790 -3.876 0.020 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.386 -6.636 0.199 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.117 -5.340 1.389 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.735 -6.059 0.528 1.00 45.11 H new ATOM 555 N ILE A 32 -1.023 -4.582 -0.005 1.00 65.24 N ATOM 556 CA ILE A 32 -2.223 -4.952 0.726 1.00 51.12 C ATOM 557 C ILE A 32 -2.558 -6.417 0.438 1.00 43.11 C ATOM 558 O ILE A 32 -2.934 -6.762 -0.681 1.00 14.33 O ATOM 559 CB ILE A 32 -3.365 -3.985 0.406 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.849 -2.552 0.271 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.483 -4.096 1.445 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.459 -1.978 1.634 1.00 50.14 C ATOM 0 H ILE A 32 -0.948 -4.990 -0.937 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.057 -4.867 1.800 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.790 -4.265 -0.558 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.987 -2.534 -0.395 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.617 -1.927 -0.184 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.283 -3.399 1.195 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.876 -5.113 1.449 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.088 -3.856 2.432 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.095 -0.958 1.509 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.329 -1.975 2.290 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.674 -2.591 2.076 1.00 50.14 H new ATOM 574 N CYS A 33 -2.409 -7.238 1.466 1.00 2.21 N ATOM 575 CA CYS A 33 -2.690 -8.658 1.338 1.00 35.42 C ATOM 576 C CYS A 33 -4.198 -8.864 1.499 1.00 3.32 C ATOM 577 O CYS A 33 -4.796 -8.377 2.456 1.00 43.20 O ATOM 578 CB CYS A 33 -1.889 -9.487 2.344 1.00 33.30 C ATOM 579 SG CYS A 33 -1.458 -11.110 1.615 1.00 13.01 S ATOM 0 H CYS A 33 -2.097 -6.947 2.393 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.379 -9.006 0.353 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.982 -8.953 2.627 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.471 -9.631 3.254 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.282 -12.015 2.053 1.00 13.01 H new ATOM 585 N GLU A 34 -4.769 -9.589 0.547 1.00 15.11 N ATOM 586 CA GLU A 34 -6.195 -9.866 0.571 1.00 60.01 C ATOM 587 C GLU A 34 -6.444 -11.374 0.510 1.00 42.00 C ATOM 588 O GLU A 34 -5.656 -12.113 -0.079 1.00 21.50 O ATOM 589 CB GLU A 34 -6.912 -9.145 -0.572 1.00 74.13 C ATOM 590 CG GLU A 34 -8.431 -9.237 -0.409 1.00 21.12 C ATOM 591 CD GLU A 34 -9.044 -10.134 -1.486 1.00 33.02 C ATOM 592 OE1 GLU A 34 -10.059 -9.766 -2.097 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.430 -11.251 -1.679 1.00 64.42 O ATOM 0 H GLU A 34 -4.269 -9.993 -0.245 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.603 -9.488 1.508 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.608 -8.099 -0.595 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.617 -9.584 -1.525 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.671 -9.632 0.578 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.868 -8.240 -0.469 1.00 21.12 H new ATOM 601 N LYS A 35 -7.541 -11.786 1.127 1.00 12.15 N ATOM 602 CA LYS A 35 -7.903 -13.193 1.149 1.00 74.11 C ATOM 603 C LYS A 35 -8.808 -13.503 -0.044 1.00 65.13 C ATOM 604 O LYS A 35 -9.847 -12.868 -0.222 1.00 52.34 O ATOM 605 CB LYS A 35 -8.518 -13.566 2.500 1.00 54.43 C ATOM 606 CG LYS A 35 -9.751 -14.452 2.315 1.00 11.23 C ATOM 607 CD LYS A 35 -9.350 -15.880 1.937 1.00 11.40 C ATOM 608 CE LYS A 35 -10.483 -16.865 2.233 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.255 -18.144 1.526 1.00 23.43 N ATOM 0 H LYS A 35 -8.191 -11.170 1.616 1.00 12.15 H new ATOM 0 HA LYS A 35 -7.015 -13.816 1.045 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.779 -14.087 3.108 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.794 -12.661 3.040 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -10.334 -14.466 3.236 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -10.391 -14.033 1.539 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.095 -15.922 0.878 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.457 -16.170 2.492 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.547 -17.042 3.307 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -11.436 -16.436 1.923 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -10.864 -18.881 1.936 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.483 -18.029 0.518 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -9.258 -18.423 1.626 1.00 23.43 H new ATOM 623 N ALA A 36 -8.381 -14.478 -0.833 1.00 44.15 N ATOM 624 CA ALA A 36 -9.140 -14.878 -2.006 1.00 42.21 C ATOM 625 C ALA A 36 -10.534 -15.335 -1.574 1.00 35.03 C ATOM 626 O ALA A 36 -10.794 -15.509 -0.384 1.00 61.54 O ATOM 627 CB ALA A 36 -8.376 -15.969 -2.760 1.00 55.13 C ATOM 0 H ALA A 36 -7.519 -15.003 -0.683 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.266 -14.037 -2.688 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -8.945 -16.270 -3.640 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.404 -15.585 -3.070 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.234 -16.831 -2.108 1.00 55.13 H new ATOM 633 N GLU A 37 -11.395 -15.518 -2.563 1.00 33.15 N ATOM 634 CA GLU A 37 -12.756 -15.953 -2.301 1.00 72.10 C ATOM 635 C GLU A 37 -12.876 -17.468 -2.483 1.00 21.01 C ATOM 636 O GLU A 37 -13.418 -18.160 -1.622 1.00 64.00 O ATOM 637 CB GLU A 37 -13.752 -15.213 -3.197 1.00 2.12 C ATOM 638 CG GLU A 37 -13.600 -15.647 -4.657 1.00 54.13 C ATOM 639 CD GLU A 37 -14.416 -14.742 -5.584 1.00 3.31 C ATOM 640 OE1 GLU A 37 -14.044 -13.579 -5.798 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.468 -15.287 -6.090 1.00 23.54 O ATOM 0 H GLU A 37 -11.176 -15.373 -3.549 1.00 33.15 H new ATOM 0 HA GLU A 37 -12.999 -15.711 -1.266 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -14.769 -15.411 -2.858 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.593 -14.138 -3.114 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -12.549 -15.614 -4.943 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -13.928 -16.680 -4.769 1.00 54.13 H new ATOM 649 N LYS A 38 -12.360 -17.938 -3.609 1.00 32.50 N ATOM 650 CA LYS A 38 -12.401 -19.358 -3.916 1.00 70.13 C ATOM 651 C LYS A 38 -11.804 -20.145 -2.746 1.00 34.33 C ATOM 652 O LYS A 38 -12.381 -21.137 -2.303 1.00 61.34 O ATOM 653 CB LYS A 38 -11.720 -19.637 -5.257 1.00 31.21 C ATOM 654 CG LYS A 38 -12.074 -18.562 -6.286 1.00 30.31 C ATOM 655 CD LYS A 38 -10.868 -17.671 -6.585 1.00 62.11 C ATOM 656 CE LYS A 38 -10.758 -17.381 -8.083 1.00 24.23 C ATOM 657 NZ LYS A 38 -9.416 -16.851 -8.412 1.00 2.33 N ATOM 0 H LYS A 38 -11.911 -17.361 -4.320 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.432 -19.693 -4.034 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -10.639 -19.672 -5.120 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.026 -20.615 -5.628 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -12.419 -19.034 -7.206 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -12.897 -17.953 -5.912 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -10.959 -16.734 -6.035 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -9.957 -18.158 -6.237 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -10.944 -18.293 -8.650 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -11.522 -16.661 -8.377 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -9.359 -16.660 -9.433 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -9.252 -15.970 -7.885 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -8.693 -17.551 -8.150 1.00 2.33 H new ATOM 671 N SER A 39 -10.656 -19.673 -2.282 1.00 31.52 N ATOM 672 CA SER A 39 -9.975 -20.320 -1.174 1.00 23.13 C ATOM 673 C SER A 39 -10.879 -20.334 0.060 1.00 61.22 C ATOM 674 O SER A 39 -11.812 -19.538 0.159 1.00 52.33 O ATOM 675 CB SER A 39 -8.653 -19.620 -0.856 1.00 23.31 C ATOM 676 OG SER A 39 -7.626 -20.547 -0.518 1.00 4.43 O ATOM 0 H SER A 39 -10.181 -18.850 -2.653 1.00 31.52 H new ATOM 0 HA SER A 39 -9.751 -21.347 -1.463 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.339 -19.029 -1.717 1.00 23.31 H new ATOM 0 HB3 SER A 39 -8.800 -18.925 -0.029 1.00 23.31 H new ATOM 0 HG SER A 39 -7.365 -21.052 -1.316 1.00 4.43 H new ATOM 682 N ASP A 40 -10.572 -21.246 0.970 1.00 65.12 N ATOM 683 CA ASP A 40 -11.344 -21.373 2.194 1.00 2.54 C ATOM 684 C ASP A 40 -10.414 -21.214 3.398 1.00 55.42 C ATOM 685 O ASP A 40 -10.615 -21.851 4.431 1.00 54.00 O ATOM 686 CB ASP A 40 -12.005 -22.749 2.286 1.00 11.34 C ATOM 687 CG ASP A 40 -13.349 -22.871 1.565 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.443 -23.474 0.486 1.00 20.22 O ATOM 689 OD2 ASP A 40 -14.343 -22.306 2.165 1.00 14.32 O ATOM 0 H ASP A 40 -9.798 -21.905 0.884 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.114 -20.602 2.189 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.321 -23.492 1.876 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -12.150 -22.996 3.338 1.00 11.34 H new ATOM 695 N ILE A 41 -9.416 -20.361 3.225 1.00 65.22 N ATOM 696 CA ILE A 41 -8.453 -20.110 4.285 1.00 75.43 C ATOM 697 C ILE A 41 -9.021 -19.063 5.246 1.00 34.44 C ATOM 698 O ILE A 41 -10.019 -18.410 4.940 1.00 24.44 O ATOM 699 CB ILE A 41 -7.094 -19.728 3.696 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.922 -18.209 3.650 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.893 -20.371 2.322 1.00 21.52 C ATOM 702 CD1 ILE A 41 -6.025 -17.795 2.482 1.00 2.30 C ATOM 0 H ILE A 41 -9.253 -19.834 2.367 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.280 -21.017 4.864 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.316 -20.118 4.352 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.897 -17.732 3.552 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.489 -17.860 4.587 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.919 -20.084 1.925 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.940 -21.456 2.417 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.676 -20.032 1.644 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.919 -16.710 2.472 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -5.043 -18.255 2.596 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -6.473 -18.125 1.545 1.00 2.30 H new ATOM 714 N PRO A 42 -8.347 -18.933 6.418 1.00 50.44 N ATOM 715 CA PRO A 42 -8.774 -17.976 7.427 1.00 24.42 C ATOM 716 C PRO A 42 -8.408 -16.549 7.017 1.00 24.50 C ATOM 717 O PRO A 42 -7.230 -16.211 6.915 1.00 43.12 O ATOM 718 CB PRO A 42 -8.087 -18.422 8.708 1.00 64.40 C ATOM 719 CG PRO A 42 -6.942 -19.324 8.275 1.00 30.21 C ATOM 720 CD PRO A 42 -7.162 -19.689 6.816 1.00 32.44 C ATOM 0 HA PRO A 42 -9.856 -17.956 7.558 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.718 -17.565 9.272 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -8.781 -18.956 9.358 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -5.986 -18.815 8.401 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -6.909 -20.222 8.892 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.299 -19.422 6.207 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.317 -20.761 6.695 1.00 32.44 H new ATOM 728 N GLU A 43 -9.440 -15.748 6.793 1.00 42.44 N ATOM 729 CA GLU A 43 -9.243 -14.364 6.397 1.00 50.22 C ATOM 730 C GLU A 43 -8.376 -13.636 7.427 1.00 11.31 C ATOM 731 O GLU A 43 -8.520 -13.854 8.630 1.00 21.42 O ATOM 732 CB GLU A 43 -10.582 -13.652 6.206 1.00 1.13 C ATOM 733 CG GLU A 43 -10.387 -12.280 5.558 1.00 32.10 C ATOM 734 CD GLU A 43 -11.486 -11.308 5.990 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.418 -10.747 7.094 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.435 -11.141 5.133 1.00 12.44 O ATOM 0 H GLU A 43 -10.416 -16.032 6.878 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.723 -14.351 5.439 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.237 -14.262 5.584 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.077 -13.536 7.170 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.412 -11.878 5.835 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.393 -12.382 4.473 1.00 32.10 H new ATOM 744 N ILE A 44 -7.496 -12.786 6.919 1.00 60.22 N ATOM 745 CA ILE A 44 -6.608 -12.025 7.780 1.00 23.32 C ATOM 746 C ILE A 44 -7.426 -11.007 8.577 1.00 4.52 C ATOM 747 O ILE A 44 -8.533 -10.648 8.181 1.00 3.42 O ATOM 748 CB ILE A 44 -5.476 -11.399 6.962 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.445 -10.732 7.874 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.027 -10.430 5.915 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.084 -10.630 7.181 1.00 33.21 C ATOM 0 H ILE A 44 -7.379 -12.608 5.922 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.123 -12.681 8.503 1.00 23.32 H new ATOM 0 HB ILE A 44 -4.962 -12.196 6.424 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -4.791 -9.737 8.153 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.346 -11.305 8.796 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.202 -9.999 5.348 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.692 -10.966 5.238 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.580 -9.633 6.412 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.369 -10.152 7.851 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.730 -11.629 6.926 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.182 -10.036 6.272 1.00 33.21 H new ATOM 763 N ASP A 45 -6.847 -10.571 9.687 1.00 33.03 N ATOM 764 CA ASP A 45 -7.509 -9.603 10.544 1.00 71.14 C ATOM 765 C ASP A 45 -7.750 -8.312 9.757 1.00 0.43 C ATOM 766 O ASP A 45 -8.844 -7.752 9.796 1.00 74.13 O ATOM 767 CB ASP A 45 -6.644 -9.260 11.758 1.00 41.02 C ATOM 768 CG ASP A 45 -6.828 -10.184 12.965 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.814 -10.932 13.051 1.00 63.25 O ATOM 770 OD2 ASP A 45 -5.896 -10.112 13.853 1.00 2.34 O ATOM 0 H ASP A 45 -5.928 -10.870 10.012 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.449 -10.039 10.882 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.597 -9.284 11.457 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.864 -8.238 12.065 1.00 41.02 H new ATOM 776 N LYS A 46 -6.710 -7.879 9.059 1.00 54.04 N ATOM 777 CA LYS A 46 -6.795 -6.667 8.263 1.00 51.14 C ATOM 778 C LYS A 46 -5.897 -6.804 7.033 1.00 4.32 C ATOM 779 O LYS A 46 -5.080 -7.721 6.957 1.00 25.51 O ATOM 780 CB LYS A 46 -6.478 -5.439 9.122 1.00 35.22 C ATOM 781 CG LYS A 46 -5.298 -5.713 10.056 1.00 72.31 C ATOM 782 CD LYS A 46 -4.083 -6.215 9.272 1.00 10.44 C ATOM 783 CE LYS A 46 -2.830 -6.217 10.147 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.633 -7.546 10.770 1.00 3.44 N ATOM 0 H LYS A 46 -5.804 -8.346 9.029 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.812 -6.521 7.900 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.247 -4.590 8.478 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.355 -5.165 9.709 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.037 -4.802 10.595 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.585 -6.454 10.803 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.275 -7.222 8.903 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.921 -5.581 8.400 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -1.959 -5.959 9.545 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.919 -5.456 10.922 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.615 -7.735 10.870 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -3.081 -7.559 11.708 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -3.064 -8.278 10.170 1.00 3.44 H new ATOM 798 N ARG A 47 -6.077 -5.880 6.102 1.00 22.33 N ATOM 799 CA ARG A 47 -5.293 -5.888 4.878 1.00 73.31 C ATOM 800 C ARG A 47 -4.432 -4.625 4.792 1.00 10.15 C ATOM 801 O ARG A 47 -4.890 -3.588 4.314 1.00 4.24 O ATOM 802 CB ARG A 47 -6.195 -5.965 3.645 1.00 1.04 C ATOM 803 CG ARG A 47 -7.085 -4.725 3.538 1.00 52.44 C ATOM 804 CD ARG A 47 -8.436 -5.074 2.913 1.00 32.42 C ATOM 805 NE ARG A 47 -9.142 -6.067 3.753 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.117 -7.399 3.530 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.423 -7.908 2.491 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.785 -8.196 4.344 1.00 1.01 N ATOM 0 H ARG A 47 -6.754 -5.120 6.170 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.653 -6.770 4.901 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.583 -6.056 2.748 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.816 -6.859 3.700 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.238 -4.296 4.528 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.586 -3.966 2.935 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.043 -4.174 2.812 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.289 -5.473 1.909 1.00 32.42 H new ATOM 0 HE ARG A 47 -9.680 -5.725 4.549 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -7.911 -7.286 1.866 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -8.410 -8.915 2.331 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -10.309 -7.803 5.126 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.777 -9.204 4.191 1.00 1.01 H new ATOM 822 N LYS A 48 -3.199 -4.756 5.263 1.00 32.22 N ATOM 823 CA LYS A 48 -2.270 -3.637 5.245 1.00 13.13 C ATOM 824 C LYS A 48 -0.856 -4.153 5.518 1.00 65.41 C ATOM 825 O LYS A 48 -0.450 -4.282 6.671 1.00 32.21 O ATOM 826 CB LYS A 48 -2.726 -2.548 6.217 1.00 2.52 C ATOM 827 CG LYS A 48 -1.592 -1.562 6.506 1.00 31.03 C ATOM 828 CD LYS A 48 -1.302 -0.687 5.284 1.00 5.15 C ATOM 829 CE LYS A 48 -0.067 0.185 5.517 1.00 62.34 C ATOM 830 NZ LYS A 48 0.971 -0.569 6.255 1.00 61.43 N ATOM 0 H LYS A 48 -2.823 -5.618 5.658 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.255 -3.167 4.261 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.579 -2.014 5.797 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.062 -3.004 7.148 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.860 -0.932 7.354 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.692 -2.109 6.788 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.147 -1.318 4.409 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.164 -0.054 5.072 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.332 0.523 4.561 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.345 1.077 6.079 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.821 0.022 6.360 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.610 -0.826 7.196 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.213 -1.433 5.729 1.00 61.43 H new ATOM 844 N TYR A 49 -0.144 -4.433 4.435 1.00 55.14 N ATOM 845 CA TYR A 49 1.217 -4.930 4.543 1.00 61.12 C ATOM 846 C TYR A 49 2.210 -3.948 3.920 1.00 45.23 C ATOM 847 O TYR A 49 2.081 -3.586 2.752 1.00 72.34 O ATOM 848 CB TYR A 49 1.250 -6.240 3.754 1.00 0.44 C ATOM 849 CG TYR A 49 0.763 -7.457 4.545 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.579 -7.594 4.842 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.664 -8.415 4.962 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.036 -8.739 5.586 1.00 40.03 C ATOM 853 CE2 TYR A 49 1.205 -9.558 5.707 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.122 -9.664 5.982 1.00 11.31 C ATOM 855 OH TYR A 49 -0.555 -10.744 6.686 1.00 30.03 O ATOM 0 H TYR A 49 -0.484 -4.325 3.480 1.00 55.14 H new ATOM 0 HA TYR A 49 1.496 -5.064 5.588 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.634 -6.130 2.861 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.270 -6.423 3.417 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.284 -6.844 4.517 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.713 -8.307 4.730 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.082 -8.860 5.824 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.900 -10.315 6.040 1.00 10.22 H new ATOM 0 HH TYR A 49 0.207 -11.321 6.901 1.00 30.03 H new ATOM 865 N LEU A 50 3.181 -3.547 4.727 1.00 74.33 N ATOM 866 CA LEU A 50 4.195 -2.612 4.269 1.00 43.30 C ATOM 867 C LEU A 50 5.531 -3.347 4.128 1.00 30.44 C ATOM 868 O LEU A 50 6.412 -3.211 4.975 1.00 14.21 O ATOM 869 CB LEU A 50 4.260 -1.396 5.194 1.00 73.54 C ATOM 870 CG LEU A 50 4.611 -0.063 4.526 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.518 -0.281 3.314 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.346 0.718 4.163 1.00 4.24 C ATOM 0 H LEU A 50 3.287 -3.852 5.695 1.00 74.33 H new ATOM 0 HA LEU A 50 3.937 -2.222 3.285 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.295 -1.289 5.689 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.997 -1.595 5.972 1.00 73.54 H new ATOM 0 HG LEU A 50 5.168 0.542 5.241 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.753 0.681 2.858 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.441 -0.766 3.633 1.00 24.21 H new ATOM 0 HD13 LEU A 50 5.008 -0.913 2.587 1.00 24.21 H new ATOM 0 HD21 LEU A 50 3.623 1.660 3.690 1.00 4.24 H new ATOM 0 HD22 LEU A 50 2.741 0.130 3.473 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.772 0.921 5.067 1.00 4.24 H new ATOM 884 N VAL A 51 5.639 -4.108 3.048 1.00 34.04 N ATOM 885 CA VAL A 51 6.851 -4.865 2.785 1.00 63.40 C ATOM 886 C VAL A 51 7.933 -3.919 2.259 1.00 40.31 C ATOM 887 O VAL A 51 7.633 -2.962 1.546 1.00 53.13 O ATOM 888 CB VAL A 51 6.549 -6.018 1.826 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.336 -6.821 2.299 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.346 -5.506 0.398 1.00 42.33 C ATOM 0 H VAL A 51 4.907 -4.216 2.346 1.00 34.04 H new ATOM 0 HA VAL A 51 7.229 -5.314 3.704 1.00 63.40 H new ATOM 0 HB VAL A 51 7.411 -6.685 1.822 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.143 -7.634 1.600 1.00 22.24 H new ATOM 0 HG12 VAL A 51 5.536 -7.233 3.288 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.464 -6.169 2.347 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.133 -6.346 -0.263 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.510 -4.807 0.378 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.251 -5.000 0.061 1.00 42.33 H new ATOM 900 N PRO A 52 9.201 -4.227 2.643 1.00 31.35 N ATOM 901 CA PRO A 52 10.329 -3.415 2.218 1.00 52.22 C ATOM 902 C PRO A 52 10.671 -3.676 0.750 1.00 45.42 C ATOM 903 O PRO A 52 9.996 -4.457 0.081 1.00 24.12 O ATOM 904 CB PRO A 52 11.458 -3.784 3.167 1.00 72.44 C ATOM 905 CG PRO A 52 11.065 -5.116 3.784 1.00 72.05 C ATOM 906 CD PRO A 52 9.593 -5.352 3.486 1.00 62.34 C ATOM 0 HA PRO A 52 10.120 -2.346 2.265 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.405 -3.865 2.634 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.588 -3.021 3.935 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.672 -5.922 3.371 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.240 -5.105 4.860 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.440 -6.302 2.975 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.004 -5.385 4.402 1.00 62.34 H new ATOM 914 N ALA A 53 11.722 -3.010 0.293 1.00 53.20 N ATOM 915 CA ALA A 53 12.162 -3.161 -1.084 1.00 13.10 C ATOM 916 C ALA A 53 13.214 -4.269 -1.159 1.00 64.41 C ATOM 917 O ALA A 53 13.968 -4.350 -2.127 1.00 65.24 O ATOM 918 CB ALA A 53 12.689 -1.822 -1.602 1.00 72.45 C ATOM 0 H ALA A 53 12.281 -2.365 0.851 1.00 53.20 H new ATOM 0 HA ALA A 53 11.329 -3.452 -1.723 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.019 -1.936 -2.635 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.896 -1.076 -1.555 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.528 -1.499 -0.986 1.00 72.45 H new ATOM 924 N ASP A 54 13.230 -5.097 -0.125 1.00 11.31 N ATOM 925 CA ASP A 54 14.177 -6.198 -0.061 1.00 24.43 C ATOM 926 C ASP A 54 13.411 -7.521 -0.009 1.00 24.43 C ATOM 927 O ASP A 54 13.832 -8.510 -0.608 1.00 72.41 O ATOM 928 CB ASP A 54 15.046 -6.104 1.194 1.00 32.13 C ATOM 929 CG ASP A 54 16.400 -6.811 1.098 1.00 4.14 C ATOM 930 OD1 ASP A 54 16.840 -7.202 0.006 1.00 20.21 O ATOM 931 OD2 ASP A 54 17.018 -6.961 2.219 1.00 61.44 O ATOM 0 H ASP A 54 12.602 -5.028 0.676 1.00 11.31 H new ATOM 0 HA ASP A 54 14.814 -6.148 -0.944 1.00 24.43 H new ATOM 0 HB2 ASP A 54 15.218 -5.052 1.421 1.00 32.13 H new ATOM 0 HB3 ASP A 54 14.492 -6.525 2.033 1.00 32.13 H new ATOM 937 N LEU A 55 12.301 -7.498 0.711 1.00 53.33 N ATOM 938 CA LEU A 55 11.473 -8.683 0.850 1.00 33.10 C ATOM 939 C LEU A 55 10.994 -9.129 -0.534 1.00 55.22 C ATOM 940 O LEU A 55 10.513 -8.316 -1.320 1.00 73.35 O ATOM 941 CB LEU A 55 10.336 -8.430 1.842 1.00 22.25 C ATOM 942 CG LEU A 55 9.744 -9.672 2.515 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.138 -10.944 1.761 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.138 -9.735 3.992 1.00 41.11 C ATOM 0 H LEU A 55 11.955 -6.676 1.206 1.00 53.33 H new ATOM 0 HA LEU A 55 12.052 -9.506 1.269 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.701 -7.759 2.619 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.535 -7.907 1.320 1.00 22.25 H new ATOM 0 HG LEU A 55 8.657 -9.598 2.475 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.705 -11.811 2.259 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.766 -10.890 0.738 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.224 -11.038 1.748 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.705 -10.626 4.446 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.224 -9.775 4.077 1.00 41.11 H new ATOM 0 HD23 LEU A 55 9.766 -8.848 4.506 1.00 41.11 H new ATOM 956 N THR A 56 11.143 -10.421 -0.787 1.00 33.54 N ATOM 957 CA THR A 56 10.732 -10.985 -2.062 1.00 20.24 C ATOM 958 C THR A 56 9.297 -11.510 -1.975 1.00 22.22 C ATOM 959 O THR A 56 8.548 -11.133 -1.075 1.00 33.44 O ATOM 960 CB THR A 56 11.748 -12.059 -2.454 1.00 3.12 C ATOM 961 OG1 THR A 56 11.392 -13.182 -1.653 1.00 4.55 O ATOM 962 CG2 THR A 56 13.168 -11.714 -2.000 1.00 24.15 C ATOM 0 H THR A 56 11.542 -11.093 -0.132 1.00 33.54 H new ATOM 0 HA THR A 56 10.721 -10.226 -2.844 1.00 20.24 H new ATOM 0 HB THR A 56 11.735 -12.194 -3.536 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.890 -13.970 -1.955 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.850 -12.508 -2.303 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.478 -10.775 -2.458 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.189 -11.613 -0.915 1.00 24.15 H new ATOM 970 N VAL A 57 8.957 -12.371 -2.923 1.00 60.44 N ATOM 971 CA VAL A 57 7.625 -12.951 -2.964 1.00 24.01 C ATOM 972 C VAL A 57 7.590 -14.200 -2.083 1.00 24.23 C ATOM 973 O VAL A 57 6.812 -14.272 -1.132 1.00 23.23 O ATOM 974 CB VAL A 57 7.222 -13.231 -4.414 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.181 -14.348 -4.487 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.711 -11.959 -5.096 1.00 3.30 C ATOM 0 H VAL A 57 9.580 -12.681 -3.668 1.00 60.44 H new ATOM 0 HA VAL A 57 6.891 -12.251 -2.565 1.00 24.01 H new ATOM 0 HB VAL A 57 8.110 -13.565 -4.950 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.912 -14.527 -5.528 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.595 -15.260 -4.057 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.293 -14.054 -3.928 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.431 -12.185 -6.125 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.841 -11.582 -4.558 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.496 -11.203 -5.091 1.00 3.30 H new ATOM 986 N GLY A 58 8.442 -15.154 -2.429 1.00 11.12 N ATOM 987 CA GLY A 58 8.517 -16.398 -1.681 1.00 42.23 C ATOM 988 C GLY A 58 8.880 -16.136 -0.218 1.00 73.23 C ATOM 989 O GLY A 58 8.743 -17.019 0.627 1.00 60.02 O ATOM 0 H GLY A 58 9.086 -15.091 -3.217 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.560 -16.917 -1.735 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.261 -17.054 -2.132 1.00 42.23 H new ATOM 993 N GLN A 59 9.335 -14.917 0.037 1.00 64.11 N ATOM 994 CA GLN A 59 9.717 -14.528 1.384 1.00 61.51 C ATOM 995 C GLN A 59 8.570 -13.781 2.066 1.00 64.21 C ATOM 996 O GLN A 59 8.453 -13.799 3.291 1.00 44.31 O ATOM 997 CB GLN A 59 10.991 -13.681 1.369 1.00 30.41 C ATOM 998 CG GLN A 59 12.216 -14.538 1.041 1.00 65.32 C ATOM 999 CD GLN A 59 13.512 -13.764 1.298 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.313 -13.532 0.408 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.670 -13.379 2.561 1.00 1.14 N ATOM 0 H GLN A 59 9.447 -14.187 -0.666 1.00 64.11 H new ATOM 0 HA GLN A 59 9.927 -15.431 1.957 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.893 -12.883 0.632 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.126 -13.204 2.340 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.203 -15.444 1.647 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.176 -14.851 -0.002 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.959 -13.607 3.256 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.502 -12.856 2.834 1.00 1.14 H new ATOM 1010 N PHE A 60 7.751 -13.140 1.244 1.00 0.21 N ATOM 1011 CA PHE A 60 6.617 -12.389 1.753 1.00 52.15 C ATOM 1012 C PHE A 60 5.541 -13.326 2.307 1.00 43.15 C ATOM 1013 O PHE A 60 4.950 -13.050 3.350 1.00 50.40 O ATOM 1014 CB PHE A 60 6.036 -11.604 0.575 1.00 50.40 C ATOM 1015 CG PHE A 60 4.718 -10.892 0.891 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.710 -9.816 1.721 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.557 -11.338 0.342 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.488 -9.155 2.015 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.334 -10.677 0.635 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.325 -9.599 1.466 1.00 23.01 C ATOM 0 H PHE A 60 7.851 -13.126 0.229 1.00 0.21 H new ATOM 0 HA PHE A 60 6.939 -11.732 2.561 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.767 -10.865 0.248 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.877 -12.286 -0.260 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.633 -9.464 2.157 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.564 -12.194 -0.316 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.482 -8.300 2.674 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.411 -11.030 0.198 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.395 -9.097 1.689 1.00 23.01 H new ATOM 1030 N VAL A 61 5.322 -14.413 1.585 1.00 32.35 N ATOM 1031 CA VAL A 61 4.327 -15.392 1.991 1.00 5.44 C ATOM 1032 C VAL A 61 4.529 -15.736 3.468 1.00 71.34 C ATOM 1033 O VAL A 61 3.572 -15.756 4.241 1.00 5.54 O ATOM 1034 CB VAL A 61 4.396 -16.619 1.077 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.511 -17.748 1.607 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.019 -16.254 -0.359 1.00 73.01 C ATOM 0 H VAL A 61 5.816 -14.639 0.721 1.00 32.35 H new ATOM 0 HA VAL A 61 3.323 -14.981 1.887 1.00 5.44 H new ATOM 0 HB VAL A 61 5.426 -16.976 1.072 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.578 -18.607 0.939 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.846 -18.036 2.604 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.477 -17.407 1.656 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.076 -17.143 -0.987 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.003 -15.860 -0.379 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.709 -15.499 -0.735 1.00 73.01 H new ATOM 1046 N TYR A 62 5.782 -15.996 3.816 1.00 14.20 N ATOM 1047 CA TYR A 62 6.122 -16.338 5.187 1.00 74.54 C ATOM 1048 C TYR A 62 5.407 -15.412 6.175 1.00 34.14 C ATOM 1049 O TYR A 62 5.039 -15.835 7.270 1.00 35.32 O ATOM 1050 CB TYR A 62 7.631 -16.128 5.312 1.00 44.14 C ATOM 1051 CG TYR A 62 8.070 -15.542 6.656 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.609 -16.097 7.833 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.925 -14.460 6.691 1.00 22.21 C ATOM 1054 CE1 TYR A 62 8.021 -15.546 9.098 1.00 24.35 C ATOM 1055 CE2 TYR A 62 9.337 -13.909 7.956 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.866 -14.479 9.097 1.00 2.21 C ATOM 1057 OH TYR A 62 9.254 -13.960 10.292 1.00 63.13 O ATOM 0 H TYR A 62 6.573 -15.977 3.172 1.00 14.20 H new ATOM 0 HA TYR A 62 5.822 -17.361 5.414 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.134 -17.083 5.163 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.962 -15.465 4.513 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.940 -16.944 7.805 1.00 62.34 H new ATOM 0 HD2 TYR A 62 9.285 -14.026 5.770 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.668 -15.970 10.026 1.00 24.35 H new ATOM 0 HE2 TYR A 62 10.005 -13.062 7.998 1.00 24.10 H new ATOM 0 HH TYR A 62 9.858 -13.203 10.139 1.00 63.13 H new ATOM 1067 N VAL A 63 5.232 -14.170 5.753 1.00 52.24 N ATOM 1068 CA VAL A 63 4.569 -13.182 6.587 1.00 35.03 C ATOM 1069 C VAL A 63 3.066 -13.473 6.618 1.00 4.02 C ATOM 1070 O VAL A 63 2.430 -13.358 7.665 1.00 23.34 O ATOM 1071 CB VAL A 63 4.894 -11.772 6.089 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.114 -10.719 6.878 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.398 -11.502 6.151 1.00 44.31 C ATOM 0 H VAL A 63 5.538 -13.824 4.844 1.00 52.24 H new ATOM 0 HA VAL A 63 4.934 -13.242 7.612 1.00 35.03 H new ATOM 0 HB VAL A 63 4.585 -11.705 5.046 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.363 -9.726 6.504 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.045 -10.894 6.759 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.378 -10.786 7.934 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.602 -10.493 5.792 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.743 -11.597 7.181 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.923 -12.223 5.525 1.00 44.31 H new ATOM 1083 N ILE A 64 2.544 -13.845 5.459 1.00 25.51 N ATOM 1084 CA ILE A 64 1.130 -14.154 5.340 1.00 30.30 C ATOM 1085 C ILE A 64 0.821 -15.424 6.134 1.00 3.31 C ATOM 1086 O ILE A 64 -0.276 -15.575 6.668 1.00 53.34 O ATOM 1087 CB ILE A 64 0.721 -14.234 3.868 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.289 -13.054 3.075 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.799 -14.340 3.726 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.987 -11.727 3.775 1.00 35.01 C ATOM 0 H ILE A 64 3.075 -13.939 4.594 1.00 25.51 H new ATOM 0 HA ILE A 64 0.528 -13.354 5.771 1.00 30.30 H new ATOM 0 HB ILE A 64 1.149 -15.143 3.444 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.367 -13.172 2.962 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.862 -13.046 2.072 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.063 -14.395 2.670 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.150 -15.237 4.235 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.268 -13.463 4.172 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.401 -10.905 3.191 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.092 -11.600 3.865 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.436 -11.729 4.768 1.00 35.01 H new ATOM 1102 N ARG A 65 1.808 -16.307 6.185 1.00 63.25 N ATOM 1103 CA ARG A 65 1.656 -17.560 6.904 1.00 61.31 C ATOM 1104 C ARG A 65 1.868 -17.340 8.404 1.00 12.01 C ATOM 1105 O ARG A 65 1.721 -18.268 9.198 1.00 41.52 O ATOM 1106 CB ARG A 65 2.652 -18.607 6.403 1.00 31.34 C ATOM 1107 CG ARG A 65 2.111 -20.023 6.614 1.00 61.42 C ATOM 1108 CD ARG A 65 1.384 -20.523 5.365 1.00 12.15 C ATOM 1109 NE ARG A 65 2.279 -20.441 4.189 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.102 -21.435 3.794 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.149 -22.599 4.478 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.860 -21.253 2.728 1.00 34.13 N ATOM 0 H ARG A 65 2.717 -16.179 5.740 1.00 63.25 H new ATOM 0 HA ARG A 65 0.644 -17.924 6.726 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.854 -18.445 5.344 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.600 -18.494 6.929 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.932 -20.698 6.856 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.429 -20.033 7.464 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.058 -21.552 5.512 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.488 -19.926 5.193 1.00 12.15 H new ATOM 0 HE ARG A 65 2.273 -19.579 3.643 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.560 -22.732 5.300 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.774 -23.345 4.173 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.818 -20.371 2.217 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.488 -21.994 2.416 1.00 34.13 H new ATOM 1126 N LYS A 66 2.212 -16.107 8.745 1.00 55.44 N ATOM 1127 CA LYS A 66 2.446 -15.753 10.136 1.00 1.33 C ATOM 1128 C LYS A 66 1.134 -15.284 10.766 1.00 70.51 C ATOM 1129 O LYS A 66 0.745 -15.764 11.831 1.00 24.42 O ATOM 1130 CB LYS A 66 3.581 -14.733 10.245 1.00 12.24 C ATOM 1131 CG LYS A 66 4.924 -15.430 10.478 1.00 14.13 C ATOM 1132 CD LYS A 66 5.672 -14.797 11.654 1.00 31.51 C ATOM 1133 CE LYS A 66 6.489 -13.587 11.195 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.841 -12.330 11.632 1.00 62.23 N ATOM 0 H LYS A 66 2.334 -15.341 8.083 1.00 55.44 H new ATOM 0 HA LYS A 66 2.777 -16.625 10.701 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.629 -14.138 9.333 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.378 -14.044 11.065 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.759 -16.489 10.675 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.533 -15.364 9.577 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.960 -14.490 12.420 1.00 31.51 H new ATOM 0 HD3 LYS A 66 6.332 -15.535 12.110 1.00 31.51 H new ATOM 0 HE2 LYS A 66 7.498 -13.645 11.604 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.585 -13.596 10.109 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.407 -11.518 11.313 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.888 -12.270 11.221 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 5.772 -12.317 12.670 1.00 62.23 H new ATOM 1148 N ARG A 67 0.486 -14.351 10.083 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.775 -13.811 10.563 1.00 11.04 C ATOM 1150 C ARG A 67 -1.738 -14.946 10.916 1.00 10.11 C ATOM 1151 O ARG A 67 -2.091 -15.126 12.080 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.423 -12.909 9.511 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.987 -11.454 9.691 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.760 -10.786 10.829 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.156 -11.143 12.131 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.117 -10.485 12.688 1.00 73.13 C ATOM 1157 NH1 ARG A 67 0.442 -9.428 12.061 1.00 21.20 N ATOM 1158 NH2 ARG A 67 0.344 -10.889 13.857 1.00 2.44 N ATOM 0 H ARG A 67 0.811 -13.955 9.201 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.565 -13.218 11.453 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.149 -13.253 8.514 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.508 -12.979 9.586 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.082 -11.414 9.901 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.151 -10.904 8.764 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.751 -9.704 10.699 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.803 -11.101 10.805 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.549 -11.935 12.640 1.00 70.52 H new ATOM 0 HH11 ARG A 67 0.080 -9.120 11.159 1.00 21.20 H new ATOM 0 HH12 ARG A 67 1.227 -8.937 12.490 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.084 -11.687 14.326 1.00 2.44 H new ATOM 0 HH22 ARG A 67 1.128 -10.403 14.292 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.134 -15.684 9.889 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.051 -16.796 10.076 1.00 51.02 C ATOM 1174 C ILE A 68 -2.298 -17.969 10.706 1.00 1.12 C ATOM 1175 O ILE A 68 -2.893 -19.002 11.011 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.745 -17.147 8.759 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.742 -17.180 7.603 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.909 -16.192 8.482 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.271 -18.028 6.444 1.00 64.50 C ATOM 0 H ILE A 68 -1.837 -15.534 8.925 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.849 -16.520 10.765 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.165 -18.149 8.849 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.547 -16.165 7.257 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.792 -17.586 7.952 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.386 -16.463 7.540 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.637 -16.262 9.290 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.534 -15.170 8.418 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.540 -18.035 5.635 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.442 -19.048 6.788 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.208 -17.605 6.082 1.00 64.50 H new ATOM 1191 N MET A 69 -0.999 -17.772 10.883 1.00 12.12 N ATOM 1192 CA MET A 69 -0.160 -18.802 11.471 1.00 64.34 C ATOM 1193 C MET A 69 -0.491 -20.178 10.889 1.00 52.33 C ATOM 1194 O MET A 69 -0.489 -21.176 11.608 1.00 32.01 O ATOM 1195 CB MET A 69 -0.366 -18.825 12.986 1.00 12.53 C ATOM 1196 CG MET A 69 -1.784 -19.278 13.341 1.00 10.21 C ATOM 1197 SD MET A 69 -1.870 -19.719 15.067 1.00 12.40 S ATOM 1198 CE MET A 69 -2.376 -18.154 15.763 1.00 45.12 C ATOM 0 H MET A 69 -0.508 -16.915 10.630 1.00 12.12 H new ATOM 0 HA MET A 69 0.880 -18.572 11.241 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.360 -19.497 13.445 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.185 -17.832 13.396 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.494 -18.480 13.125 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.067 -20.131 12.725 1.00 10.21 H new ATOM 0 HE1 MET A 69 -2.478 -18.252 16.844 1.00 45.12 H new ATOM 0 HE2 MET A 69 -1.626 -17.396 15.537 1.00 45.12 H new ATOM 0 HE3 MET A 69 -3.333 -17.857 15.334 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.766 -20.187 9.594 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.098 -21.424 8.908 1.00 10.14 C ATOM 1210 C LEU A 70 -0.032 -22.476 9.220 1.00 2.25 C ATOM 1211 O LEU A 70 1.156 -22.162 9.286 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.293 -21.171 7.411 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.439 -21.935 6.745 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.708 -21.873 7.598 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.680 -21.431 5.322 1.00 2.24 C ATOM 0 H LEU A 70 -0.766 -19.357 9.001 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.049 -21.816 9.268 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.459 -20.104 7.262 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.366 -21.425 6.896 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.152 -22.984 6.670 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.507 -22.424 7.102 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.513 -22.317 8.574 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.010 -20.833 7.727 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.500 -21.991 4.872 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.936 -20.372 5.350 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.776 -21.570 4.729 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.508 -23.737 9.407 1.00 43.24 N ATOM 1228 CA PRO A 71 0.392 -24.838 9.711 1.00 13.55 C ATOM 1229 C PRO A 71 1.162 -25.278 8.463 1.00 75.31 C ATOM 1230 O PRO A 71 0.846 -24.852 7.353 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.502 -25.932 10.273 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.915 -25.582 9.835 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.906 -24.145 9.337 1.00 33.31 C ATOM 0 HA PRO A 71 1.165 -24.564 10.429 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.207 -26.911 9.894 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.430 -25.976 11.360 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.249 -26.257 9.047 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.611 -25.694 10.666 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.288 -24.077 8.318 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.536 -23.507 9.957 1.00 33.31 H new ATOM 1241 N PRO A 72 2.183 -26.145 8.694 1.00 11.43 N ATOM 1242 CA PRO A 72 2.999 -26.647 7.602 1.00 73.31 C ATOM 1243 C PRO A 72 2.243 -27.699 6.790 1.00 14.34 C ATOM 1244 O PRO A 72 2.773 -28.239 5.820 1.00 14.13 O ATOM 1245 CB PRO A 72 4.251 -27.196 8.268 1.00 1.11 C ATOM 1246 CG PRO A 72 3.888 -27.405 9.729 1.00 12.50 C ATOM 1247 CD PRO A 72 2.584 -26.670 9.995 1.00 2.00 C ATOM 0 HA PRO A 72 3.255 -25.874 6.878 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.561 -28.133 7.805 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.084 -26.500 8.168 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.779 -28.467 9.947 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.679 -27.026 10.377 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.827 -27.341 10.402 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.722 -25.868 10.720 1.00 2.00 H new ATOM 1255 N GLU A 73 1.014 -27.959 7.215 1.00 4.32 N ATOM 1256 CA GLU A 73 0.180 -28.937 6.540 1.00 33.04 C ATOM 1257 C GLU A 73 -0.670 -28.256 5.464 1.00 15.04 C ATOM 1258 O GLU A 73 -1.168 -28.917 4.553 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.701 -29.691 7.538 1.00 51.24 C ATOM 1260 CG GLU A 73 -0.057 -29.714 8.927 1.00 33.54 C ATOM 1261 CD GLU A 73 -0.386 -31.016 9.661 1.00 53.33 C ATOM 1262 OE1 GLU A 73 0.131 -32.081 9.297 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -1.211 -30.892 10.646 1.00 11.00 O ATOM 0 H GLU A 73 0.577 -27.508 8.019 1.00 4.32 H new ATOM 0 HA GLU A 73 0.829 -29.667 6.056 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.681 -29.217 7.595 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.861 -30.711 7.190 1.00 51.24 H new ATOM 0 HG2 GLU A 73 1.024 -29.608 8.833 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -0.411 -28.864 9.510 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.808 -26.947 5.606 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.589 -26.171 4.658 1.00 74.24 C ATOM 1273 C LYS A 74 -0.647 -25.498 3.657 1.00 4.24 C ATOM 1274 O LYS A 74 0.568 -25.676 3.728 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.506 -25.191 5.394 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.905 -25.780 5.578 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.980 -24.704 5.413 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.124 -24.913 6.407 1.00 43.12 C ATOM 1279 NZ LYS A 74 -5.949 -24.039 7.588 1.00 72.20 N ATOM 0 H LYS A 74 -0.393 -26.404 6.363 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.250 -26.822 4.086 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.079 -24.949 6.367 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.571 -24.258 4.834 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -4.067 -26.575 4.850 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.986 -26.231 6.567 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.539 -23.719 5.563 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.369 -24.727 4.395 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -7.077 -24.696 5.925 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -6.155 -25.956 6.721 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.559 -24.373 8.361 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -4.956 -24.065 7.895 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.209 -23.063 7.339 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.243 -24.740 2.749 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.473 -24.041 1.735 1.00 13.52 C ATOM 1295 C ALA A 75 -1.038 -22.632 1.552 1.00 54.01 C ATOM 1296 O ALA A 75 -2.159 -22.349 1.974 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.487 -24.848 0.436 1.00 3.35 C ATOM 0 H ALA A 75 -2.251 -24.595 2.694 1.00 2.43 H new ATOM 0 HA ALA A 75 0.567 -23.941 2.045 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.091 -24.323 -0.325 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.047 -25.830 0.613 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.515 -24.967 0.093 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.239 -21.784 0.922 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.645 -20.411 0.679 1.00 65.33 C ATOM 1305 C ILE A 76 0.145 -19.851 -0.506 1.00 4.31 C ATOM 1306 O ILE A 76 1.365 -19.710 -0.431 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.512 -19.578 1.955 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.708 -18.640 2.125 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.818 -18.821 1.980 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.564 -17.789 3.389 1.00 43.42 C ATOM 0 H ILE A 76 0.689 -22.022 0.572 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.700 -20.369 0.408 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.512 -20.257 2.807 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.792 -17.991 1.253 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.627 -19.223 2.178 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.887 -18.237 2.898 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.643 -19.533 1.940 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.873 -18.154 1.120 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.428 -17.131 3.485 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.505 -18.440 4.261 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.657 -17.189 3.322 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.582 -19.548 -1.571 1.00 12.42 N ATOM 1323 CA PHE A 77 0.036 -19.007 -2.770 1.00 62.30 C ATOM 1324 C PHE A 77 -0.424 -17.570 -3.023 1.00 33.33 C ATOM 1325 O PHE A 77 -1.588 -17.239 -2.803 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.412 -19.887 -3.939 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.022 -21.360 -3.794 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.799 -22.200 -3.058 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.100 -21.829 -4.401 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.437 -23.566 -2.923 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.462 -23.196 -4.268 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.686 -24.035 -3.531 1.00 35.23 C ATOM 0 H PHE A 77 -1.593 -19.667 -1.629 1.00 12.42 H new ATOM 0 HA PHE A 77 1.120 -18.998 -2.659 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.495 -19.817 -4.039 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.019 -19.496 -4.861 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.691 -21.828 -2.577 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.717 -21.162 -4.985 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.053 -24.233 -2.338 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.353 -23.569 -4.752 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.961 -25.074 -3.428 1.00 35.23 H new ATOM 1342 N ILE A 78 0.513 -16.754 -3.483 1.00 3.55 N ATOM 1343 CA ILE A 78 0.220 -15.362 -3.770 1.00 70.04 C ATOM 1344 C ILE A 78 -0.359 -15.247 -5.181 1.00 63.43 C ATOM 1345 O ILE A 78 -0.131 -16.114 -6.022 1.00 62.34 O ATOM 1346 CB ILE A 78 1.459 -14.494 -3.540 1.00 15.11 C ATOM 1347 CG1 ILE A 78 2.132 -14.841 -2.210 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.113 -13.007 -3.635 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.529 -14.030 -1.062 1.00 44.32 C ATOM 0 H ILE A 78 1.478 -17.032 -3.664 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.537 -14.983 -3.083 1.00 70.04 H new ATOM 0 HB ILE A 78 2.177 -14.709 -4.331 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.017 -15.906 -2.007 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.202 -14.643 -2.277 1.00 31.40 H new ATOM 0 HG21 ILE A 78 2.011 -12.413 -3.468 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.713 -12.789 -4.625 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.367 -12.758 -2.880 1.00 23.31 H new ATOM 0 HD11 ILE A 78 2.025 -14.296 -0.129 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.667 -12.966 -1.256 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.464 -14.249 -0.982 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.096 -14.167 -5.398 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.708 -13.926 -6.693 1.00 2.04 C ATOM 1363 C PHE A 79 -1.831 -12.427 -6.972 1.00 53.42 C ATOM 1364 O PHE A 79 -2.353 -11.679 -6.146 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.110 -14.541 -6.647 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.185 -15.960 -7.212 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.176 -16.157 -8.557 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.262 -17.025 -6.369 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -3.247 -17.474 -9.083 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.332 -18.343 -6.894 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.324 -18.540 -8.240 1.00 62.01 C ATOM 0 H PHE A 79 -1.283 -13.449 -4.698 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.096 -14.365 -7.481 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.456 -14.554 -5.614 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.794 -13.902 -7.205 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.115 -15.311 -9.226 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.270 -16.868 -5.300 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -3.240 -17.630 -10.152 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.392 -19.189 -6.225 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.379 -19.542 -8.640 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.342 -12.032 -8.137 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.390 -10.636 -8.536 1.00 62.12 C ATOM 1383 C VAL A 80 -1.901 -10.538 -9.975 1.00 53.14 C ATOM 1384 O VAL A 80 -1.288 -11.078 -10.894 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.016 -9.990 -8.345 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.133 -8.467 -8.269 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.684 -10.549 -7.105 1.00 72.24 C ATOM 0 H VAL A 80 -0.910 -12.655 -8.819 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.086 -10.083 -7.905 1.00 62.12 H new ATOM 0 HB VAL A 80 0.594 -10.236 -9.214 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.857 -8.032 -8.133 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.571 -8.089 -9.193 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.768 -8.192 -7.427 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.658 -10.074 -6.992 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.077 -10.347 -6.222 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.816 -11.625 -7.216 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.021 -9.843 -10.125 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.622 -9.668 -11.436 1.00 42.34 C ATOM 1399 C ASN A 81 -4.024 -11.034 -11.995 1.00 23.52 C ATOM 1400 O ASN A 81 -4.200 -11.186 -13.203 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.633 -9.029 -12.413 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.776 -7.972 -11.714 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.192 -6.849 -11.487 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.559 -8.394 -11.386 1.00 23.44 N ATOM 0 H ASN A 81 -3.527 -9.395 -9.360 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.491 -9.019 -11.325 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -1.990 -9.799 -12.841 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.177 -8.572 -13.240 1.00 33.42 H new ATOM 0 HD21 ASN A 81 0.090 -7.763 -10.915 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.274 -9.348 -11.606 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.157 -11.993 -11.091 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.536 -13.340 -11.478 1.00 23.32 C ATOM 1413 C ASP A 82 -3.302 -14.081 -12.001 1.00 11.03 C ATOM 1414 O ASP A 82 -3.426 -15.041 -12.760 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.582 -13.320 -12.594 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.467 -14.565 -12.673 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.101 -15.571 -13.300 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.593 -14.475 -12.050 1.00 63.05 O ATOM 0 H ASP A 82 -4.009 -11.863 -10.090 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.953 -13.837 -10.602 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -6.220 -12.447 -12.458 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.071 -13.195 -13.548 1.00 70.50 H new ATOM 1424 N THR A 83 -2.142 -13.606 -11.575 1.00 42.44 N ATOM 1425 CA THR A 83 -0.888 -14.211 -11.989 1.00 61.11 C ATOM 1426 C THR A 83 0.007 -14.471 -10.774 1.00 21.15 C ATOM 1427 O THR A 83 0.116 -13.627 -9.888 1.00 74.25 O ATOM 1428 CB THR A 83 -0.244 -13.297 -13.032 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.469 -14.189 -13.884 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.843 -12.401 -12.436 1.00 30.14 C ATOM 0 H THR A 83 -2.044 -12.808 -10.947 1.00 42.44 H new ATOM 0 HA THR A 83 -1.052 -15.186 -12.447 1.00 61.11 H new ATOM 0 HB THR A 83 -1.012 -12.676 -13.493 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.916 -13.679 -14.591 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.267 -11.773 -13.220 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.410 -11.770 -11.660 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.628 -13.021 -12.003 1.00 30.14 H new ATOM 1438 N LEU A 84 0.624 -15.643 -10.775 1.00 12.33 N ATOM 1439 CA LEU A 84 1.505 -16.025 -9.685 1.00 64.22 C ATOM 1440 C LEU A 84 2.937 -15.604 -10.020 1.00 22.45 C ATOM 1441 O LEU A 84 3.549 -16.147 -10.939 1.00 1.12 O ATOM 1442 CB LEU A 84 1.360 -17.517 -9.375 1.00 62.51 C ATOM 1443 CG LEU A 84 1.146 -17.878 -7.904 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.330 -18.162 -7.617 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.044 -19.046 -7.490 1.00 5.15 C ATOM 0 H LEU A 84 0.531 -16.341 -11.513 1.00 12.33 H new ATOM 0 HA LEU A 84 1.225 -15.504 -8.770 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.521 -17.908 -9.950 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.255 -18.030 -9.728 1.00 62.51 H new ATOM 0 HG LEU A 84 1.433 -17.019 -7.297 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.454 -18.416 -6.564 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.923 -17.277 -7.849 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.667 -18.996 -8.233 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.872 -19.283 -6.440 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.812 -19.918 -8.101 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.089 -18.770 -7.634 1.00 5.15 H new ATOM 1457 N PRO A 85 3.444 -14.614 -9.238 1.00 73.14 N ATOM 1458 CA PRO A 85 4.792 -14.113 -9.444 1.00 54.01 C ATOM 1459 C PRO A 85 5.831 -15.106 -8.918 1.00 31.32 C ATOM 1460 O PRO A 85 5.504 -15.996 -8.135 1.00 23.50 O ATOM 1461 CB PRO A 85 4.830 -12.776 -8.721 1.00 13.52 C ATOM 1462 CG PRO A 85 3.658 -12.793 -7.752 1.00 42.32 C ATOM 1463 CD PRO A 85 2.749 -13.946 -8.141 1.00 13.01 C ATOM 0 HA PRO A 85 5.038 -13.988 -10.498 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.773 -12.645 -8.191 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.743 -11.949 -9.425 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.011 -12.914 -6.728 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.115 -11.849 -7.793 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.589 -14.624 -7.303 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.768 -13.588 -8.453 1.00 13.01 H new ATOM 1471 N PRO A 86 7.095 -14.915 -9.385 1.00 12.01 N ATOM 1472 CA PRO A 86 8.184 -15.782 -8.970 1.00 0.14 C ATOM 1473 C PRO A 86 8.626 -15.465 -7.541 1.00 13.22 C ATOM 1474 O PRO A 86 8.033 -14.616 -6.878 1.00 70.44 O ATOM 1475 CB PRO A 86 9.282 -15.551 -9.996 1.00 21.33 C ATOM 1476 CG PRO A 86 8.951 -14.230 -10.672 1.00 1.45 C ATOM 1477 CD PRO A 86 7.518 -13.871 -10.313 1.00 12.41 C ATOM 0 HA PRO A 86 7.897 -16.833 -8.941 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.261 -15.510 -9.518 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.315 -16.363 -10.722 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.635 -13.449 -10.340 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.064 -14.315 -11.753 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.461 -12.885 -9.852 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.882 -13.847 -11.198 1.00 12.41 H new ATOM 1485 N THR A 87 9.663 -16.165 -7.107 1.00 44.33 N ATOM 1486 CA THR A 87 10.191 -15.969 -5.767 1.00 62.41 C ATOM 1487 C THR A 87 11.175 -14.797 -5.748 1.00 30.31 C ATOM 1488 O THR A 87 11.284 -14.088 -4.749 1.00 14.22 O ATOM 1489 CB THR A 87 10.810 -17.289 -5.304 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.130 -17.262 -5.842 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.161 -18.505 -5.971 1.00 50.43 C ATOM 0 H THR A 87 10.152 -16.869 -7.659 1.00 44.33 H new ATOM 0 HA THR A 87 9.400 -15.701 -5.066 1.00 62.41 H new ATOM 0 HB THR A 87 10.716 -17.374 -4.221 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.604 -18.081 -5.588 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.637 -19.416 -5.608 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.099 -18.529 -5.729 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.285 -18.437 -7.052 1.00 50.43 H new ATOM 1499 N ALA A 88 11.868 -14.630 -6.866 1.00 71.44 N ATOM 1500 CA ALA A 88 12.839 -13.555 -6.990 1.00 13.45 C ATOM 1501 C ALA A 88 12.124 -12.275 -7.423 1.00 44.20 C ATOM 1502 O ALA A 88 12.769 -11.285 -7.764 1.00 63.25 O ATOM 1503 CB ALA A 88 13.936 -13.973 -7.971 1.00 64.41 C ATOM 0 H ALA A 88 11.776 -15.220 -7.693 1.00 71.44 H new ATOM 0 HA ALA A 88 13.317 -13.355 -6.031 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.665 -13.168 -8.066 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.432 -14.871 -7.601 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.494 -14.178 -8.946 1.00 64.41 H new ATOM 1509 N ALA A 89 10.802 -12.335 -7.395 1.00 34.45 N ATOM 1510 CA ALA A 89 9.992 -11.192 -7.781 1.00 73.43 C ATOM 1511 C ALA A 89 10.008 -10.158 -6.654 1.00 42.11 C ATOM 1512 O ALA A 89 8.964 -9.824 -6.096 1.00 30.52 O ATOM 1513 CB ALA A 89 8.575 -11.661 -8.122 1.00 61.45 C ATOM 0 H ALA A 89 10.270 -13.158 -7.111 1.00 34.45 H new ATOM 0 HA ALA A 89 10.401 -10.716 -8.672 1.00 73.43 H new ATOM 0 HB1 ALA A 89 7.968 -10.803 -8.411 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.616 -12.372 -8.947 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.131 -12.142 -7.250 1.00 61.45 H new ATOM 1519 N LEU A 90 11.206 -9.679 -6.352 1.00 64.42 N ATOM 1520 CA LEU A 90 11.373 -8.689 -5.301 1.00 63.51 C ATOM 1521 C LEU A 90 10.113 -7.825 -5.215 1.00 52.21 C ATOM 1522 O LEU A 90 9.754 -7.146 -6.177 1.00 54.01 O ATOM 1523 CB LEU A 90 12.655 -7.883 -5.522 1.00 34.25 C ATOM 1524 CG LEU A 90 13.608 -7.799 -4.327 1.00 71.21 C ATOM 1525 CD1 LEU A 90 12.834 -7.797 -3.009 1.00 54.54 C ATOM 1526 CD2 LEU A 90 14.650 -8.918 -4.378 1.00 41.31 C ATOM 0 H LEU A 90 12.070 -9.958 -6.817 1.00 64.42 H new ATOM 0 HA LEU A 90 11.493 -9.178 -4.334 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.195 -8.320 -6.362 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.378 -6.870 -5.813 1.00 34.25 H new ATOM 0 HG LEU A 90 14.147 -6.854 -4.385 1.00 71.21 H new ATOM 0 HD11 LEU A 90 13.534 -7.737 -2.176 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.163 -6.938 -2.982 1.00 54.54 H new ATOM 0 HD13 LEU A 90 12.252 -8.715 -2.928 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.315 -8.836 -3.518 1.00 41.31 H new ATOM 0 HD22 LEU A 90 14.147 -9.885 -4.357 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.232 -8.832 -5.296 1.00 41.31 H new ATOM 1538 N MET A 91 9.475 -7.879 -4.055 1.00 32.43 N ATOM 1539 CA MET A 91 8.262 -7.110 -3.831 1.00 22.31 C ATOM 1540 C MET A 91 8.368 -5.722 -4.465 1.00 44.01 C ATOM 1541 O MET A 91 7.358 -5.129 -4.842 1.00 41.02 O ATOM 1542 CB MET A 91 8.017 -6.969 -2.328 1.00 61.30 C ATOM 1543 CG MET A 91 7.668 -8.319 -1.699 1.00 10.20 C ATOM 1544 SD MET A 91 6.041 -8.249 -0.970 1.00 71.21 S ATOM 1545 CE MET A 91 5.041 -8.177 -2.447 1.00 3.14 C ATOM 0 H MET A 91 9.775 -8.443 -3.260 1.00 32.43 H new ATOM 0 HA MET A 91 7.429 -7.637 -4.295 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.906 -6.559 -1.848 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.206 -6.262 -2.153 1.00 61.30 H new ATOM 0 HG2 MET A 91 7.703 -9.102 -2.456 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.405 -8.577 -0.939 1.00 10.20 H new ATOM 0 HE1 MET A 91 3.986 -8.218 -2.175 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.243 -7.247 -2.978 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.283 -9.022 -3.092 1.00 3.14 H new ATOM 1555 N SER A 92 9.600 -5.244 -4.562 1.00 61.22 N ATOM 1556 CA SER A 92 9.850 -3.935 -5.144 1.00 10.22 C ATOM 1557 C SER A 92 9.520 -3.954 -6.638 1.00 3.55 C ATOM 1558 O SER A 92 8.699 -3.168 -7.105 1.00 30.35 O ATOM 1559 CB SER A 92 11.303 -3.505 -4.927 1.00 12.35 C ATOM 1560 OG SER A 92 11.454 -2.090 -4.974 1.00 55.11 O ATOM 0 H SER A 92 10.435 -5.738 -4.248 1.00 61.22 H new ATOM 0 HA SER A 92 9.206 -3.211 -4.646 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.650 -3.875 -3.962 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.934 -3.962 -5.689 1.00 12.35 H new ATOM 0 HG SER A 92 12.395 -1.856 -4.829 1.00 55.11 H new ATOM 1566 N ALA A 93 10.177 -4.863 -7.345 1.00 51.43 N ATOM 1567 CA ALA A 93 9.963 -4.995 -8.777 1.00 44.32 C ATOM 1568 C ALA A 93 8.511 -5.396 -9.036 1.00 70.44 C ATOM 1569 O ALA A 93 8.038 -5.330 -10.169 1.00 35.31 O ATOM 1570 CB ALA A 93 10.959 -6.006 -9.350 1.00 51.33 C ATOM 0 H ALA A 93 10.857 -5.515 -6.953 1.00 51.43 H new ATOM 0 HA ALA A 93 10.137 -4.044 -9.281 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.799 -6.106 -10.424 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.976 -5.660 -9.165 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.812 -6.974 -8.870 1.00 51.33 H new ATOM 1576 N ILE A 94 7.842 -5.803 -7.967 1.00 40.34 N ATOM 1577 CA ILE A 94 6.452 -6.215 -8.064 1.00 0.42 C ATOM 1578 C ILE A 94 5.549 -4.990 -7.903 1.00 61.53 C ATOM 1579 O ILE A 94 4.568 -4.838 -8.628 1.00 44.40 O ATOM 1580 CB ILE A 94 6.153 -7.334 -7.065 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.025 -8.562 -7.340 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.662 -7.680 -7.058 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.655 -9.208 -8.676 1.00 10.40 C ATOM 0 H ILE A 94 8.237 -5.856 -7.028 1.00 40.34 H new ATOM 0 HA ILE A 94 6.248 -6.636 -9.049 1.00 0.42 H new ATOM 0 HB ILE A 94 6.405 -6.976 -6.067 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.076 -8.272 -7.351 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.903 -9.287 -6.535 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.477 -8.478 -6.339 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.085 -6.799 -6.778 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.360 -8.010 -8.052 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.289 -10.078 -8.847 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.611 -9.519 -8.653 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.801 -8.488 -9.481 1.00 10.40 H new ATOM 1595 N TYR A 95 5.915 -4.147 -6.949 1.00 51.15 N ATOM 1596 CA TYR A 95 5.150 -2.939 -6.683 1.00 20.24 C ATOM 1597 C TYR A 95 5.447 -1.862 -7.728 1.00 42.21 C ATOM 1598 O TYR A 95 4.823 -0.802 -7.725 1.00 45.41 O ATOM 1599 CB TYR A 95 5.609 -2.443 -5.311 1.00 42.53 C ATOM 1600 CG TYR A 95 5.041 -1.077 -4.922 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.554 0.072 -5.490 1.00 32.12 C ATOM 1602 CD2 TYR A 95 4.014 -0.991 -4.002 1.00 42.40 C ATOM 1603 CE1 TYR A 95 5.020 1.357 -5.125 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.481 0.294 -3.635 1.00 23.54 C ATOM 1605 CZ TYR A 95 4.009 1.405 -4.215 1.00 24.44 C ATOM 1606 OH TYR A 95 3.504 2.620 -3.870 1.00 51.50 O ATOM 0 H TYR A 95 6.731 -4.276 -6.350 1.00 51.15 H new ATOM 0 HA TYR A 95 4.080 -3.146 -6.716 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.319 -3.174 -4.556 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.698 -2.389 -5.301 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.357 0.006 -6.209 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.611 -1.889 -3.558 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.412 2.263 -5.563 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.680 0.374 -2.915 1.00 23.54 H new ATOM 0 HH TYR A 95 2.707 2.808 -4.409 1.00 51.50 H new ATOM 1616 N GLN A 96 6.400 -2.171 -8.597 1.00 41.34 N ATOM 1617 CA GLN A 96 6.787 -1.242 -9.644 1.00 40.14 C ATOM 1618 C GLN A 96 6.179 -1.667 -10.982 1.00 73.33 C ATOM 1619 O GLN A 96 6.233 -0.920 -11.957 1.00 35.05 O ATOM 1620 CB GLN A 96 8.309 -1.133 -9.744 1.00 62.44 C ATOM 1621 CG GLN A 96 8.761 -1.076 -11.206 1.00 73.05 C ATOM 1622 CD GLN A 96 10.282 -0.949 -11.305 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.963 -0.575 -10.364 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.776 -1.279 -12.495 1.00 34.13 N ATOM 0 H GLN A 96 6.915 -3.052 -8.596 1.00 41.34 H new ATOM 0 HA GLN A 96 6.401 -0.255 -9.389 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.648 -0.240 -9.220 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.771 -1.987 -9.250 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.433 -1.975 -11.727 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.289 -0.229 -11.704 1.00 73.05 H new ATOM 0 HE21 GLN A 96 10.150 -1.584 -13.240 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.781 -1.227 -12.662 1.00 34.13 H new ATOM 1633 N GLU A 97 5.615 -2.865 -10.984 1.00 32.44 N ATOM 1634 CA GLU A 97 4.996 -3.399 -12.186 1.00 2.21 C ATOM 1635 C GLU A 97 3.516 -3.694 -11.937 1.00 41.50 C ATOM 1636 O GLU A 97 2.780 -4.026 -12.865 1.00 31.31 O ATOM 1637 CB GLU A 97 5.730 -4.653 -12.670 1.00 65.22 C ATOM 1638 CG GLU A 97 5.124 -5.915 -12.056 1.00 55.53 C ATOM 1639 CD GLU A 97 5.943 -7.153 -12.425 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.798 -7.086 -13.321 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.668 -8.213 -11.744 1.00 70.13 O ATOM 0 H GLU A 97 5.573 -3.482 -10.173 1.00 32.44 H new ATOM 0 HA GLU A 97 5.069 -2.647 -12.972 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.678 -4.712 -13.757 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.785 -4.586 -12.405 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.083 -5.812 -10.972 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.098 -6.036 -12.404 1.00 55.53 H new ATOM 1649 N HIS A 98 3.123 -3.561 -10.678 1.00 3.52 N ATOM 1650 CA HIS A 98 1.744 -3.809 -10.294 1.00 21.22 C ATOM 1651 C HIS A 98 1.212 -2.619 -9.493 1.00 61.24 C ATOM 1652 O HIS A 98 0.202 -2.732 -8.801 1.00 1.42 O ATOM 1653 CB HIS A 98 1.620 -5.135 -9.540 1.00 32.21 C ATOM 1654 CG HIS A 98 1.955 -6.349 -10.372 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.603 -6.462 -11.708 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.611 -7.499 -10.048 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.034 -7.633 -12.155 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.658 -8.274 -11.125 1.00 24.24 N ATOM 0 H HIS A 98 3.736 -3.285 -9.911 1.00 3.52 H new ATOM 0 HA HIS A 98 1.126 -3.906 -11.187 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.278 -5.110 -8.671 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.601 -5.234 -9.165 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.023 -7.739 -9.079 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.913 -8.013 -13.159 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.090 -9.197 -11.174 1.00 24.24 H new ATOM 1667 N LYS A 99 1.917 -1.502 -9.615 1.00 12.51 N ATOM 1668 CA LYS A 99 1.529 -0.292 -8.910 1.00 13.43 C ATOM 1669 C LYS A 99 0.122 0.116 -9.346 1.00 32.40 C ATOM 1670 O LYS A 99 -0.322 -0.236 -10.437 1.00 3.15 O ATOM 1671 CB LYS A 99 2.577 0.804 -9.110 1.00 4.34 C ATOM 1672 CG LYS A 99 2.677 1.205 -10.583 1.00 4.14 C ATOM 1673 CD LYS A 99 2.224 2.651 -10.790 1.00 12.25 C ATOM 1674 CE LYS A 99 2.135 2.990 -12.278 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.937 3.814 -12.552 1.00 53.51 N ATOM 0 H LYS A 99 2.754 -1.410 -10.191 1.00 12.51 H new ATOM 0 HA LYS A 99 1.491 -0.472 -7.836 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.316 1.675 -8.509 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.547 0.453 -8.758 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.705 1.090 -10.926 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.063 0.538 -11.188 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.252 2.802 -10.320 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.923 3.329 -10.300 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.031 3.527 -12.589 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.094 2.072 -12.864 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.892 4.035 -13.567 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.083 3.289 -12.274 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.992 4.698 -12.007 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.543 0.857 -8.470 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.892 1.318 -8.751 1.00 31.41 C ATOM 1691 C ASP A 100 -1.967 2.829 -8.525 1.00 24.34 C ATOM 1692 O ASP A 100 -0.989 3.447 -8.108 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.908 0.649 -7.822 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.295 0.433 -8.431 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.321 0.568 -7.746 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.299 0.108 -9.679 1.00 2.43 O ATOM 0 H ASP A 100 -0.172 1.149 -7.566 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.127 1.063 -9.784 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.511 -0.316 -7.508 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.013 1.258 -6.924 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.138 3.381 -8.809 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.353 4.807 -8.641 1.00 45.13 C ATOM 1704 C LYS A 101 -3.057 5.197 -7.192 1.00 14.41 C ATOM 1705 O LYS A 101 -2.320 6.148 -6.939 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.758 5.196 -9.108 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.950 4.880 -10.591 1.00 1.14 C ATOM 1708 CD LYS A 101 -6.032 5.769 -11.207 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.384 5.535 -10.526 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.611 4.090 -10.306 1.00 33.55 N ATOM 0 H LYS A 101 -3.947 2.865 -9.154 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.665 5.372 -9.270 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.502 4.660 -8.519 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.921 6.260 -8.935 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.009 5.026 -11.122 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.224 3.832 -10.710 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.747 6.817 -11.109 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.116 5.560 -12.273 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.414 6.063 -9.573 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -8.184 5.945 -11.142 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.630 3.910 -10.203 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.246 3.554 -11.119 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -7.117 3.789 -9.442 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.648 4.441 -6.276 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.457 4.695 -4.859 1.00 44.11 C ATOM 1726 C ASP A 102 -1.978 4.515 -4.509 1.00 52.35 C ATOM 1727 O ASP A 102 -1.536 4.929 -3.439 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.267 3.715 -4.010 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.391 2.305 -4.592 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.464 1.490 -4.495 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.516 2.054 -5.174 1.00 40.41 O ATOM 0 H ASP A 102 -4.259 3.653 -6.489 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.789 5.712 -4.650 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.807 3.646 -3.024 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.268 4.122 -3.867 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.255 3.897 -5.431 1.00 12.34 N ATOM 1738 CA GLY A 103 0.164 3.658 -5.232 1.00 1.51 C ATOM 1739 C GLY A 103 0.399 2.341 -4.486 1.00 42.14 C ATOM 1740 O GLY A 103 1.332 1.605 -4.799 1.00 30.21 O ATOM 0 H GLY A 103 -1.625 3.555 -6.318 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.670 3.629 -6.197 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.600 4.483 -4.668 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.464 2.088 -3.514 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.362 0.875 -2.720 1.00 12.24 C ATOM 1746 C PHE A 104 -0.539 -0.368 -3.595 1.00 72.13 C ATOM 1747 O PHE A 104 -1.303 -0.351 -4.558 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.489 0.920 -1.687 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.141 1.703 -0.419 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.479 1.091 0.599 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -1.490 3.013 -0.311 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.154 1.818 1.774 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -1.166 3.740 0.864 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.506 3.127 1.883 1.00 62.30 C ATOM 0 H PHE A 104 -1.237 2.702 -3.258 1.00 53.45 H new ATOM 0 HA PHE A 104 0.619 0.820 -2.249 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.371 1.366 -2.146 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -1.755 -0.100 -1.410 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.200 0.051 0.513 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -2.014 3.500 -1.120 1.00 73.23 H new ATOM 0 HE1 PHE A 104 0.373 1.332 2.582 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -1.444 4.780 0.949 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.262 3.679 2.778 1.00 62.30 H new ATOM 1764 N LEU A 105 0.180 -1.419 -3.228 1.00 64.23 N ATOM 1765 CA LEU A 105 0.113 -2.667 -3.967 1.00 0.04 C ATOM 1766 C LEU A 105 -1.077 -3.488 -3.465 1.00 11.52 C ATOM 1767 O LEU A 105 -1.422 -3.430 -2.285 1.00 74.42 O ATOM 1768 CB LEU A 105 1.448 -3.410 -3.888 1.00 42.33 C ATOM 1769 CG LEU A 105 2.319 -3.359 -5.145 1.00 21.41 C ATOM 1770 CD1 LEU A 105 2.057 -4.571 -6.042 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.124 -2.040 -5.895 1.00 71.12 C ATOM 0 H LEU A 105 0.812 -1.431 -2.428 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.055 -2.473 -5.026 1.00 0.04 H new ATOM 0 HB2 LEU A 105 2.021 -3.000 -3.056 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.246 -4.455 -3.652 1.00 42.33 H new ATOM 0 HG LEU A 105 3.364 -3.403 -4.838 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.688 -4.511 -6.928 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.286 -5.485 -5.495 1.00 42.30 H new ATOM 0 HD13 LEU A 105 1.009 -4.581 -6.343 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.755 -2.030 -6.784 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.079 -1.940 -6.190 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.399 -1.208 -5.246 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.671 -4.234 -4.385 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.814 -5.066 -4.050 1.00 42.31 C ATOM 1785 C TYR A 106 -2.538 -6.535 -4.377 1.00 52.24 C ATOM 1786 O TYR A 106 -2.783 -6.983 -5.495 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.967 -4.570 -4.925 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.519 -3.203 -4.512 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.104 -3.042 -3.273 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -4.430 -2.133 -5.378 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -5.623 -1.757 -2.883 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -4.951 -0.847 -4.988 1.00 3.33 C ATOM 1793 CZ TYR A 106 -5.522 -0.723 -3.761 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.012 0.491 -3.394 1.00 44.34 O ATOM 0 H TYR A 106 -1.382 -4.280 -5.362 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.038 -5.000 -2.985 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.627 -4.516 -5.959 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.775 -5.301 -4.893 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.173 -3.880 -2.595 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -3.970 -2.259 -6.347 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.082 -1.617 -1.915 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -4.889 -0.001 -5.656 1.00 3.33 H new ATOM 0 HH TYR A 106 -6.286 0.988 -4.193 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.031 -7.244 -3.378 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.720 -8.654 -3.546 1.00 40.22 C ATOM 1806 C VAL A 107 -2.861 -9.496 -2.974 1.00 71.32 C ATOM 1807 O VAL A 107 -3.752 -8.971 -2.308 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.366 -8.969 -2.906 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.376 -8.641 -1.412 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.026 -10.429 -3.143 1.00 51.41 C ATOM 0 H VAL A 107 -1.828 -6.869 -2.451 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.632 -8.903 -4.604 1.00 40.22 H new ATOM 0 HB VAL A 107 0.384 -8.338 -3.383 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.598 -8.874 -0.982 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.590 -7.581 -1.274 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.144 -9.234 -0.914 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.992 -10.626 -2.678 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.728 -11.084 -2.706 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.094 -10.618 -4.214 1.00 51.41 H new ATOM 1820 N THR A 108 -2.799 -10.789 -3.255 1.00 21.14 N ATOM 1821 CA THR A 108 -3.818 -11.709 -2.778 1.00 55.41 C ATOM 1822 C THR A 108 -3.210 -13.089 -2.515 1.00 62.50 C ATOM 1823 O THR A 108 -2.441 -13.596 -3.331 1.00 11.44 O ATOM 1824 CB THR A 108 -4.953 -11.730 -3.801 1.00 74.21 C ATOM 1825 OG1 THR A 108 -4.850 -10.472 -4.462 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.336 -11.693 -3.144 1.00 22.42 C ATOM 0 H THR A 108 -2.059 -11.222 -3.807 1.00 21.14 H new ATOM 0 HA THR A 108 -4.229 -11.383 -1.823 1.00 55.41 H new ATOM 0 HB THR A 108 -4.868 -12.625 -4.418 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.550 -10.403 -5.144 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.106 -11.710 -3.915 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.454 -12.561 -2.495 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.434 -10.782 -2.553 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.577 -13.655 -1.376 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.077 -14.966 -0.996 1.00 32.00 C ATOM 1836 C TYR A 109 -4.225 -15.962 -0.826 1.00 31.13 C ATOM 1837 O TYR A 109 -5.200 -15.678 -0.131 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.377 -14.777 0.351 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.330 -14.472 1.508 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.855 -13.205 1.657 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.663 -15.467 2.407 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.751 -12.920 2.746 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.560 -15.180 3.497 1.00 12.40 C ATOM 1844 CZ TYR A 109 -5.060 -13.921 3.612 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.906 -13.652 4.643 1.00 35.34 O ATOM 0 H TYR A 109 -4.215 -13.230 -0.703 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.409 -15.359 -1.762 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.813 -15.680 0.586 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.656 -13.964 0.264 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.593 -12.427 0.956 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.251 -16.459 2.293 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -5.169 -11.932 2.873 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.829 -15.948 4.207 1.00 12.40 H new ATOM 0 HH TYR A 109 -6.036 -14.462 5.179 1.00 35.34 H new ATOM 1855 N SER A 110 -4.073 -17.108 -1.472 1.00 65.21 N ATOM 1856 CA SER A 110 -5.085 -18.148 -1.401 1.00 13.24 C ATOM 1857 C SER A 110 -4.439 -19.483 -1.021 1.00 41.23 C ATOM 1858 O SER A 110 -3.332 -19.788 -1.462 1.00 40.25 O ATOM 1859 CB SER A 110 -5.832 -18.281 -2.730 1.00 42.53 C ATOM 1860 OG SER A 110 -4.941 -18.418 -3.832 1.00 73.50 O ATOM 0 H SER A 110 -3.263 -17.340 -2.048 1.00 65.21 H new ATOM 0 HA SER A 110 -5.808 -17.869 -0.634 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.493 -19.146 -2.689 1.00 42.53 H new ATOM 0 HB3 SER A 110 -6.463 -17.405 -2.881 1.00 42.53 H new ATOM 0 HG SER A 110 -4.616 -19.342 -3.877 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.157 -20.241 -0.207 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.668 -21.534 0.238 1.00 10.15 C ATOM 1868 C GLY A 111 -4.513 -22.497 -0.941 1.00 11.13 C ATOM 1869 O GLY A 111 -3.915 -23.562 -0.802 1.00 34.05 O ATOM 0 H GLY A 111 -6.075 -19.984 0.156 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.708 -21.411 0.740 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.358 -21.956 0.969 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.062 -22.087 -2.075 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.992 -22.899 -3.277 1.00 65.25 C ATOM 1875 C GLU A 112 -4.092 -22.230 -4.318 1.00 62.14 C ATOM 1876 O GLU A 112 -3.819 -21.033 -4.231 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.388 -23.159 -3.846 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.986 -21.881 -4.439 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.244 -22.190 -5.252 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.815 -23.282 -5.118 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -8.624 -21.248 -6.047 1.00 41.42 O ATOM 0 H GLU A 112 -5.557 -21.202 -2.186 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.557 -23.864 -3.015 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.333 -23.930 -4.615 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.040 -23.539 -3.060 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -7.229 -21.183 -3.638 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.249 -21.392 -5.075 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.657 -23.031 -5.279 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.793 -22.532 -6.336 1.00 34.31 C ATOM 1891 C ASN A 113 -3.509 -22.669 -7.681 1.00 20.23 C ATOM 1892 O ASN A 113 -2.901 -23.068 -8.673 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.492 -23.332 -6.408 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.554 -22.758 -7.473 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.167 -23.424 -8.420 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.211 -21.490 -7.265 1.00 31.33 N ATOM 0 H ASN A 113 -3.887 -24.022 -5.348 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.562 -21.489 -6.119 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.998 -23.317 -5.437 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.714 -24.374 -6.637 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.412 -21.016 -7.919 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.571 -20.991 -6.452 1.00 31.33 H new ATOM 2441 N ILE B 629 4.710 -7.256 8.971 1.00 24.41 N ATOM 2442 CA ILE B 629 3.896 -7.141 7.772 1.00 43.42 C ATOM 2443 C ILE B 629 4.777 -7.352 6.540 1.00 31.11 C ATOM 2444 O ILE B 629 4.375 -7.033 5.423 1.00 23.45 O ATOM 2445 CB ILE B 629 3.138 -5.812 7.765 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.932 -4.723 8.490 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.732 -5.979 8.348 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.297 -4.511 7.831 1.00 61.41 C ATOM 0 HA ILE B 629 3.132 -7.918 7.755 1.00 43.42 H new ATOM 0 HB ILE B 629 3.022 -5.491 6.730 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.370 -3.789 8.479 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.068 -5.001 9.535 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.215 -5.020 8.331 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.175 -6.702 7.752 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.804 -6.334 9.376 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.842 -3.732 8.365 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.866 -5.440 7.865 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.157 -4.209 6.793 1.00 61.41 H new ATOM 2460 N ALA B 630 5.963 -7.889 6.785 1.00 41.41 N ATOM 2461 CA ALA B 630 6.906 -8.147 5.709 1.00 34.31 C ATOM 2462 C ALA B 630 6.281 -9.128 4.714 1.00 73.25 C ATOM 2463 O ALA B 630 6.980 -9.701 3.880 1.00 11.20 O ATOM 2464 CB ALA B 630 8.220 -8.668 6.294 1.00 15.34 C ATOM 0 H ALA B 630 6.293 -8.153 7.713 1.00 41.41 H new ATOM 0 HA ALA B 630 7.132 -7.228 5.169 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.926 -8.861 5.487 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.638 -7.923 6.971 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.033 -9.592 6.842 1.00 15.34 H new