USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 21 ASN : amide:sc= 0.167 K(o=-0.37,f=-2.7!) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.541 F(o=-1.4,f=-0.37) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.00452 X(o=0.0099,f=0) USER MOD Set 2.2: A 15 LYS NZ :NH3+ -113:sc= 0.00534 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 85:sc= -0.285 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 35 GLN : amide:sc= 0.615 K(o=0.62,f=0) USER MOD Single : A 38 SER OG : rot -88:sc= 0.685 USER MOD Single : A 40 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.9) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 0.775 (180deg=0.418) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 1.2 (180deg=-1.68!) USER MOD Single : A 50 SER OG : rot 36:sc= 0.121 USER MOD Single : A 51 THR OG1 : rot -11:sc= 0.973 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -61:sc= 1.26 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.89) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 97 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -120:sc= 0.315 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.759 K(o=0.76,f=-0.45) USER MOD Single : A 118 SER OG : rot -39:sc= 0.0923 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.159 9.532 -8.112 1.00 0.00 N ATOM 60 CA GLY A 7 -2.313 10.702 -8.259 1.00 0.00 C ATOM 61 C GLY A 7 -0.846 10.275 -8.210 1.00 0.00 C ATOM 62 O GLY A 7 -0.514 9.088 -8.287 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.526 11.203 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.522 11.418 -7.464 1.00 0.00 H new ATOM 66 N SER A 8 0.035 11.262 -8.035 1.00 0.00 N ATOM 67 CA SER A 8 1.432 11.039 -7.686 1.00 0.00 C ATOM 68 C SER A 8 1.545 10.174 -6.429 1.00 0.00 C ATOM 69 O SER A 8 0.607 10.028 -5.644 1.00 0.00 O ATOM 70 CB SER A 8 2.113 12.405 -7.479 1.00 0.00 C ATOM 71 OG SER A 8 3.484 12.353 -7.124 1.00 0.00 O ATOM 0 H SER A 8 -0.208 12.248 -8.134 1.00 0.00 H new ATOM 0 HA SER A 8 1.931 10.504 -8.494 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.015 12.984 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.574 12.947 -6.702 1.00 0.00 H new ATOM 0 HG SER A 8 3.829 13.264 -7.016 1.00 0.00 H new ATOM 77 N ALA A 9 2.759 9.697 -6.190 1.00 0.00 N ATOM 78 CA ALA A 9 3.154 9.031 -4.966 1.00 0.00 C ATOM 79 C ALA A 9 2.758 9.813 -3.721 1.00 0.00 C ATOM 80 O ALA A 9 2.077 9.272 -2.844 1.00 0.00 O ATOM 81 CB ALA A 9 4.656 8.768 -4.986 1.00 0.00 C ATOM 0 H ALA A 9 3.518 9.768 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 9 2.619 8.083 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.950 8.267 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.903 8.134 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.190 9.714 -5.071 1.00 0.00 H new ATOM 87 N LYS A 10 3.137 11.094 -3.634 1.00 0.00 N ATOM 88 CA LYS A 10 2.768 11.860 -2.445 1.00 0.00 C ATOM 89 C LYS A 10 1.245 12.019 -2.354 1.00 0.00 C ATOM 90 O LYS A 10 0.740 12.206 -1.255 1.00 0.00 O ATOM 91 CB LYS A 10 3.423 13.256 -2.415 1.00 0.00 C ATOM 92 CG LYS A 10 4.909 13.245 -2.008 1.00 0.00 C ATOM 93 CD LYS A 10 5.270 14.345 -0.989 1.00 0.00 C ATOM 94 CE LYS A 10 4.660 14.077 0.402 1.00 0.00 C ATOM 95 NZ LYS A 10 4.853 15.202 1.346 1.00 0.00 N ATOM 0 H LYS A 10 3.674 11.600 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 10 3.136 11.295 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.331 13.710 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.872 13.889 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.155 12.272 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.524 13.369 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.354 14.414 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.918 15.309 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.593 13.881 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.109 13.177 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.423 14.964 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.870 15.376 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.402 16.057 0.963 1.00 0.00 H new ATOM 109 N ASN A 11 0.495 11.932 -3.461 1.00 0.00 N ATOM 110 CA ASN A 11 -0.964 12.059 -3.427 1.00 0.00 C ATOM 111 C ASN A 11 -1.615 10.915 -2.653 1.00 0.00 C ATOM 112 O ASN A 11 -2.736 11.079 -2.186 1.00 0.00 O ATOM 113 CB ASN A 11 -1.563 12.128 -4.836 1.00 0.00 C ATOM 114 CG ASN A 11 -2.976 12.713 -4.800 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.148 13.932 -4.770 1.00 0.00 O ATOM 116 ND2 ASN A 11 -4.011 11.899 -4.857 1.00 0.00 N ATOM 0 H ASN A 11 0.878 11.774 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.176 12.996 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.928 12.740 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.589 11.130 -5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.958 12.278 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.865 10.890 -4.882 1.00 0.00 H new ATOM 123 N ALA A 12 -0.924 9.784 -2.473 1.00 0.00 N ATOM 124 CA ALA A 12 -1.328 8.805 -1.483 1.00 0.00 C ATOM 125 C ALA A 12 -0.923 9.310 -0.099 1.00 0.00 C ATOM 126 O ALA A 12 -1.776 9.652 0.716 1.00 0.00 O ATOM 127 CB ALA A 12 -0.737 7.426 -1.809 1.00 0.00 C ATOM 0 H ALA A 12 -0.088 9.533 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.411 8.680 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.053 6.707 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.089 7.102 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.351 7.489 -1.817 1.00 0.00 H new ATOM 133 N TYR A 13 0.381 9.362 0.181 1.00 0.00 N ATOM 134 CA TYR A 13 0.886 9.576 1.535 1.00 0.00 C ATOM 135 C TYR A 13 0.396 10.858 2.200 1.00 0.00 C ATOM 136 O TYR A 13 0.052 10.822 3.377 1.00 0.00 O ATOM 137 CB TYR A 13 2.403 9.601 1.527 1.00 0.00 C ATOM 138 CG TYR A 13 2.987 9.968 2.880 1.00 0.00 C ATOM 139 CD1 TYR A 13 2.990 9.040 3.946 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.597 11.224 3.039 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.697 9.348 5.130 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.257 11.546 4.231 1.00 0.00 C ATOM 143 CZ TYR A 13 4.325 10.608 5.280 1.00 0.00 C ATOM 144 OH TYR A 13 5.012 10.923 6.411 1.00 0.00 O ATOM 0 H TYR A 13 1.112 9.257 -0.522 1.00 0.00 H new ATOM 0 HA TYR A 13 0.495 8.742 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.777 8.622 1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.747 10.317 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.457 8.105 3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.556 11.946 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.759 8.619 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.716 12.517 4.347 1.00 0.00 H new ATOM 0 HH TYR A 13 5.375 11.830 6.332 1.00 0.00 H new ATOM 154 N THR A 14 0.385 11.986 1.492 1.00 0.00 N ATOM 155 CA THR A 14 -0.068 13.230 2.084 1.00 0.00 C ATOM 156 C THR A 14 -1.492 13.031 2.626 1.00 0.00 C ATOM 157 O THR A 14 -1.816 13.466 3.735 1.00 0.00 O ATOM 158 CB THR A 14 0.012 14.376 1.061 1.00 0.00 C ATOM 159 OG1 THR A 14 1.340 14.567 0.600 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.465 15.686 1.683 1.00 0.00 C ATOM 0 H THR A 14 0.682 12.058 0.519 1.00 0.00 H new ATOM 0 HA THR A 14 0.580 13.509 2.915 1.00 0.00 H new ATOM 0 HB THR A 14 -0.628 14.098 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.522 13.948 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.401 16.484 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.499 15.578 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.164 15.933 2.539 1.00 0.00 H new ATOM 168 N LYS A 15 -2.350 12.376 1.840 1.00 0.00 N ATOM 169 CA LYS A 15 -3.746 12.181 2.185 1.00 0.00 C ATOM 170 C LYS A 15 -3.922 11.070 3.223 1.00 0.00 C ATOM 171 O LYS A 15 -4.908 11.082 3.949 1.00 0.00 O ATOM 172 CB LYS A 15 -4.560 11.890 0.914 1.00 0.00 C ATOM 173 CG LYS A 15 -4.344 12.880 -0.248 1.00 0.00 C ATOM 174 CD LYS A 15 -4.598 14.354 0.095 1.00 0.00 C ATOM 175 CE LYS A 15 -4.162 15.281 -1.049 1.00 0.00 C ATOM 176 NZ LYS A 15 -5.040 15.191 -2.240 1.00 0.00 N ATOM 0 H LYS A 15 -2.087 11.967 0.943 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.119 13.099 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.313 10.887 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.619 11.885 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.319 12.778 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.999 12.597 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.658 14.503 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.056 14.616 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.152 16.310 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.141 15.034 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.510 14.774 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.862 14.593 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.365 16.143 -2.504 1.00 0.00 H new ATOM 190 N LEU A 16 -2.968 10.147 3.372 1.00 0.00 N ATOM 191 CA LEU A 16 -3.049 8.994 4.215 1.00 0.00 C ATOM 192 C LEU A 16 -3.097 9.386 5.698 1.00 0.00 C ATOM 193 O LEU A 16 -3.535 8.583 6.518 1.00 0.00 O ATOM 194 CB LEU A 16 -1.786 8.202 3.847 1.00 0.00 C ATOM 195 CG LEU A 16 -1.609 6.948 4.653 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.768 5.952 4.577 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.302 6.285 4.224 1.00 0.00 C ATOM 0 H LEU A 16 -2.080 10.205 2.874 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.957 8.410 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.825 7.942 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.913 8.840 3.986 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.585 7.250 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.541 5.082 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.680 6.426 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.910 5.637 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.153 5.370 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.348 6.044 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.529 6.967 4.406 1.00 0.00 H new ATOM 209 N GLY A 17 -2.647 10.591 6.059 1.00 0.00 N ATOM 210 CA GLY A 17 -2.753 11.126 7.413 1.00 0.00 C ATOM 211 C GLY A 17 -3.640 12.364 7.495 1.00 0.00 C ATOM 212 O GLY A 17 -3.922 12.824 8.596 1.00 0.00 O ATOM 0 H GLY A 17 -2.192 11.230 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.152 10.355 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.757 11.374 7.779 1.00 0.00 H new ATOM 216 N THR A 18 -4.072 12.929 6.362 1.00 0.00 N ATOM 217 CA THR A 18 -4.979 14.075 6.350 1.00 0.00 C ATOM 218 C THR A 18 -6.370 13.656 6.853 1.00 0.00 C ATOM 219 O THR A 18 -7.121 14.477 7.388 1.00 0.00 O ATOM 220 CB THR A 18 -4.978 14.689 4.933 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.982 16.098 5.000 1.00 0.00 O ATOM 222 CG2 THR A 18 -6.098 14.247 3.984 1.00 0.00 C ATOM 0 H THR A 18 -3.803 12.604 5.433 1.00 0.00 H new ATOM 0 HA THR A 18 -4.644 14.852 7.037 1.00 0.00 H new ATOM 0 HB THR A 18 -4.058 14.297 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.980 16.469 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.982 14.751 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.045 13.168 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.064 14.507 4.416 1.00 0.00 H new ATOM 230 N ASP A 19 -6.695 12.376 6.701 1.00 0.00 N ATOM 231 CA ASP A 19 -7.939 11.745 7.074 1.00 0.00 C ATOM 232 C ASP A 19 -7.521 10.601 7.977 1.00 0.00 C ATOM 233 O ASP A 19 -6.938 9.637 7.488 1.00 0.00 O ATOM 234 CB ASP A 19 -8.649 11.226 5.816 1.00 0.00 C ATOM 235 CG ASP A 19 -9.673 12.223 5.296 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.321 13.177 4.560 1.00 0.00 O ATOM 237 OD2 ASP A 19 -10.872 12.024 5.613 1.00 0.00 O ATOM 0 H ASP A 19 -6.043 11.712 6.283 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.635 12.421 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.911 11.023 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.143 10.281 6.041 1.00 0.00 H new ATOM 242 N ASP A 20 -7.763 10.699 9.284 1.00 0.00 N ATOM 243 CA ASP A 20 -7.293 9.686 10.234 1.00 0.00 C ATOM 244 C ASP A 20 -7.788 8.286 9.885 1.00 0.00 C ATOM 245 O ASP A 20 -7.113 7.290 10.149 1.00 0.00 O ATOM 246 CB ASP A 20 -7.757 10.011 11.657 1.00 0.00 C ATOM 247 CG ASP A 20 -7.061 9.053 12.622 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.820 9.168 12.747 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.712 8.164 13.219 1.00 0.00 O ATOM 0 H ASP A 20 -8.281 11.467 9.710 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.205 9.703 10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.516 11.044 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.839 9.909 11.736 1.00 0.00 H new ATOM 254 N ASN A 21 -8.988 8.229 9.310 1.00 0.00 N ATOM 255 CA ASN A 21 -9.739 7.017 9.034 1.00 0.00 C ATOM 256 C ASN A 21 -8.994 6.188 8.003 1.00 0.00 C ATOM 257 O ASN A 21 -9.201 4.978 7.935 1.00 0.00 O ATOM 258 CB ASN A 21 -11.142 7.355 8.481 1.00 0.00 C ATOM 259 CG ASN A 21 -11.855 8.433 9.286 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.489 9.601 9.200 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.850 8.087 10.080 1.00 0.00 N ATOM 0 H ASN A 21 -9.482 9.070 9.012 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.849 6.460 9.964 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.049 7.684 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.751 6.451 8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.329 8.796 10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.140 7.111 10.138 1.00 0.00 H new ATOM 268 N ALA A 22 -8.192 6.845 7.162 1.00 0.00 N ATOM 269 CA ALA A 22 -7.471 6.270 6.051 1.00 0.00 C ATOM 270 C ALA A 22 -6.533 5.155 6.516 1.00 0.00 C ATOM 271 O ALA A 22 -6.182 5.062 7.695 1.00 0.00 O ATOM 272 CB ALA A 22 -6.709 7.405 5.372 1.00 0.00 C ATOM 0 H ALA A 22 -8.027 7.847 7.253 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.160 5.806 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.149 7.011 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.414 8.159 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.019 7.857 6.084 1.00 0.00 H new ATOM 278 N GLN A 23 -6.124 4.295 5.589 1.00 0.00 N ATOM 279 CA GLN A 23 -5.228 3.173 5.846 1.00 0.00 C ATOM 280 C GLN A 23 -4.358 2.919 4.626 1.00 0.00 C ATOM 281 O GLN A 23 -4.578 3.493 3.560 1.00 0.00 O ATOM 282 CB GLN A 23 -6.033 1.898 6.145 1.00 0.00 C ATOM 283 CG GLN A 23 -6.404 1.701 7.627 1.00 0.00 C ATOM 284 CD GLN A 23 -5.223 1.321 8.519 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.057 1.422 8.136 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.510 0.859 9.725 1.00 0.00 N ATOM 0 H GLN A 23 -6.414 4.361 4.613 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.608 3.422 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.949 1.917 5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.457 1.035 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.850 2.621 8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.166 0.925 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.482 0.783 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.759 0.579 10.356 1.00 0.00 H new ATOM 295 N LEU A 24 -3.404 2.003 4.767 1.00 0.00 N ATOM 296 CA LEU A 24 -2.473 1.613 3.727 1.00 0.00 C ATOM 297 C LEU A 24 -2.502 0.089 3.612 1.00 0.00 C ATOM 298 O LEU A 24 -2.387 -0.598 4.633 1.00 0.00 O ATOM 299 CB LEU A 24 -1.107 2.167 4.136 1.00 0.00 C ATOM 300 CG LEU A 24 -0.043 2.305 3.037 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.351 1.016 2.307 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.461 3.372 2.026 1.00 0.00 C ATOM 0 H LEU A 24 -3.258 1.498 5.641 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.724 2.009 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.262 3.150 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.703 1.524 4.917 1.00 0.00 H new ATOM 0 HG LEU A 24 0.858 2.601 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.108 1.240 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.753 0.300 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.527 0.590 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.302 3.459 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.409 3.089 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.574 4.330 2.534 1.00 0.00 H new ATOM 314 N LEU A 25 -2.699 -0.429 2.397 1.00 0.00 N ATOM 315 CA LEU A 25 -2.704 -1.856 2.070 1.00 0.00 C ATOM 316 C LEU A 25 -1.483 -2.128 1.216 1.00 0.00 C ATOM 317 O LEU A 25 -1.464 -1.877 0.012 1.00 0.00 O ATOM 318 CB LEU A 25 -4.011 -2.325 1.379 1.00 0.00 C ATOM 319 CG LEU A 25 -4.559 -3.707 1.789 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.882 -4.863 1.059 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.450 -3.994 3.280 1.00 0.00 C ATOM 0 H LEU A 25 -2.866 0.159 1.581 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.665 -2.435 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.784 -1.582 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.842 -2.333 0.302 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.610 -3.647 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.313 -5.807 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.034 -4.754 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.814 -4.855 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.856 -4.984 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.403 -3.959 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.013 -3.245 3.837 1.00 0.00 H new ATOM 333 N ASP A 26 -0.426 -2.576 1.872 1.00 0.00 N ATOM 334 CA ASP A 26 0.802 -2.940 1.204 1.00 0.00 C ATOM 335 C ASP A 26 0.578 -4.285 0.510 1.00 0.00 C ATOM 336 O ASP A 26 0.424 -5.311 1.190 1.00 0.00 O ATOM 337 CB ASP A 26 1.913 -2.976 2.251 1.00 0.00 C ATOM 338 CG ASP A 26 3.284 -3.024 1.617 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.429 -3.643 0.547 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.198 -2.407 2.224 1.00 0.00 O ATOM 0 H ASP A 26 -0.400 -2.696 2.885 1.00 0.00 H new ATOM 0 HA ASP A 26 1.098 -2.223 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.839 -2.096 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.779 -3.847 2.893 1.00 0.00 H new ATOM 345 N ILE A 27 0.450 -4.260 -0.821 1.00 0.00 N ATOM 346 CA ILE A 27 0.214 -5.441 -1.650 1.00 0.00 C ATOM 347 C ILE A 27 1.507 -5.965 -2.281 1.00 0.00 C ATOM 348 O ILE A 27 1.424 -6.878 -3.114 1.00 0.00 O ATOM 349 CB ILE A 27 -0.886 -5.214 -2.712 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.529 -4.146 -3.765 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.230 -4.952 -2.019 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.369 -4.264 -5.046 1.00 0.00 C ATOM 0 H ILE A 27 0.509 -3.397 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.158 -6.214 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.972 -6.131 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.672 -3.155 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.527 -4.233 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.002 -4.793 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.495 -5.811 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.148 -4.066 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.072 -3.486 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.207 -5.242 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.425 -4.148 -4.801 1.00 0.00 H new ATOM 364 N ARG A 28 2.673 -5.384 -1.966 1.00 0.00 N ATOM 365 CA ARG A 28 3.931 -5.884 -2.511 1.00 0.00 C ATOM 366 C ARG A 28 4.167 -7.285 -1.963 1.00 0.00 C ATOM 367 O ARG A 28 3.637 -7.657 -0.911 1.00 0.00 O ATOM 368 CB ARG A 28 5.104 -4.937 -2.198 1.00 0.00 C ATOM 369 CG ARG A 28 4.793 -3.513 -2.691 1.00 0.00 C ATOM 370 CD ARG A 28 6.009 -2.583 -2.843 1.00 0.00 C ATOM 371 NE ARG A 28 6.917 -2.580 -1.696 1.00 0.00 N ATOM 372 CZ ARG A 28 6.625 -2.303 -0.432 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.470 -1.747 -0.122 1.00 0.00 N ATOM 374 NH2 ARG A 28 7.491 -2.621 0.518 1.00 0.00 N ATOM 0 H ARG A 28 2.766 -4.580 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 28 3.867 -5.928 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.292 -4.924 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.012 -5.303 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.289 -3.583 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.090 -3.053 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.567 -2.878 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.654 -1.566 -3.012 1.00 0.00 H new ATOM 0 HE ARG A 28 7.889 -2.819 -1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.796 -1.528 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.250 -1.536 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.372 -3.074 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.277 -2.413 1.493 1.00 0.00 H new ATOM 388 N ALA A 29 4.945 -8.082 -2.695 1.00 0.00 N ATOM 389 CA ALA A 29 5.221 -9.448 -2.294 1.00 0.00 C ATOM 390 C ALA A 29 5.904 -9.464 -0.934 1.00 0.00 C ATOM 391 O ALA A 29 6.680 -8.567 -0.620 1.00 0.00 O ATOM 392 CB ALA A 29 6.071 -10.139 -3.354 1.00 0.00 C ATOM 0 H ALA A 29 5.392 -7.799 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 29 4.284 -9.997 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.274 -11.165 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.535 -10.145 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.012 -9.602 -3.472 1.00 0.00 H new ATOM 398 N THR A 30 5.711 -10.539 -0.163 1.00 0.00 N ATOM 399 CA THR A 30 6.346 -10.673 1.143 1.00 0.00 C ATOM 400 C THR A 30 7.872 -10.553 1.015 1.00 0.00 C ATOM 401 O THR A 30 8.542 -10.000 1.882 1.00 0.00 O ATOM 402 CB THR A 30 5.932 -11.996 1.800 1.00 0.00 C ATOM 403 OG1 THR A 30 4.538 -12.215 1.642 1.00 0.00 O ATOM 404 CG2 THR A 30 6.259 -12.032 3.292 1.00 0.00 C ATOM 0 H THR A 30 5.119 -11.327 -0.425 1.00 0.00 H new ATOM 0 HA THR A 30 6.008 -9.862 1.788 1.00 0.00 H new ATOM 0 HB THR A 30 6.502 -12.779 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.290 -13.064 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.946 -12.989 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.333 -11.908 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.731 -11.225 3.800 1.00 0.00 H new ATOM 412 N ALA A 31 8.387 -11.033 -0.115 1.00 0.00 N ATOM 413 CA ALA A 31 9.756 -10.967 -0.566 1.00 0.00 C ATOM 414 C ALA A 31 10.300 -9.542 -0.671 1.00 0.00 C ATOM 415 O ALA A 31 11.491 -9.338 -0.437 1.00 0.00 O ATOM 416 CB ALA A 31 9.757 -11.607 -1.941 1.00 0.00 C ATOM 0 H ALA A 31 7.797 -11.519 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 31 10.400 -11.472 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.768 -11.593 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.412 -12.638 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.092 -11.051 -2.602 1.00 0.00 H new ATOM 422 N ASP A 32 9.478 -8.556 -1.035 1.00 0.00 N ATOM 423 CA ASP A 32 9.890 -7.153 -1.112 1.00 0.00 C ATOM 424 C ASP A 32 10.335 -6.704 0.265 1.00 0.00 C ATOM 425 O ASP A 32 11.420 -6.162 0.433 1.00 0.00 O ATOM 426 CB ASP A 32 8.751 -6.262 -1.601 1.00 0.00 C ATOM 427 CG ASP A 32 9.271 -4.857 -1.847 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.303 -4.052 -0.892 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.612 -4.550 -2.997 1.00 0.00 O ATOM 0 H ASP A 32 8.501 -8.709 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 32 10.708 -7.066 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.326 -6.669 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.950 -6.240 -0.862 1.00 0.00 H new ATOM 434 N PHE A 33 9.575 -7.078 1.296 1.00 0.00 N ATOM 435 CA PHE A 33 9.935 -6.814 2.680 1.00 0.00 C ATOM 436 C PHE A 33 11.241 -7.491 3.095 1.00 0.00 C ATOM 437 O PHE A 33 11.773 -7.169 4.156 1.00 0.00 O ATOM 438 CB PHE A 33 8.786 -7.213 3.609 1.00 0.00 C ATOM 439 CG PHE A 33 7.391 -6.867 3.109 1.00 0.00 C ATOM 440 CD1 PHE A 33 7.113 -5.596 2.576 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.379 -7.843 3.118 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.830 -5.289 2.104 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.085 -7.530 2.652 1.00 0.00 C ATOM 444 CZ PHE A 33 4.811 -6.251 2.143 1.00 0.00 C ATOM 0 H PHE A 33 8.690 -7.574 1.188 1.00 0.00 H new ATOM 0 HA PHE A 33 10.109 -5.742 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.836 -8.288 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.938 -6.730 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.894 -4.851 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.593 -8.837 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.625 -4.305 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.304 -8.275 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.822 -6.010 1.784 1.00 0.00 H new ATOM 454 N ARG A 34 11.750 -8.439 2.302 1.00 0.00 N ATOM 455 CA ARG A 34 12.983 -9.160 2.577 1.00 0.00 C ATOM 456 C ARG A 34 14.141 -8.621 1.752 1.00 0.00 C ATOM 457 O ARG A 34 15.264 -8.688 2.246 1.00 0.00 O ATOM 458 CB ARG A 34 12.821 -10.659 2.307 1.00 0.00 C ATOM 459 CG ARG A 34 11.544 -11.325 2.861 1.00 0.00 C ATOM 460 CD ARG A 34 11.132 -10.946 4.294 1.00 0.00 C ATOM 461 NE ARG A 34 12.160 -11.288 5.282 1.00 0.00 N ATOM 462 CZ ARG A 34 12.390 -12.507 5.776 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.614 -13.545 5.477 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.446 -12.702 6.546 1.00 0.00 N ATOM 0 H ARG A 34 11.301 -8.728 1.433 1.00 0.00 H new ATOM 0 HA ARG A 34 13.206 -9.011 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.847 -10.816 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.684 -11.176 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.717 -11.082 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.679 -12.406 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.930 -9.876 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.203 -11.457 4.549 1.00 0.00 H new ATOM 0 HE ARG A 34 12.751 -10.529 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.816 -13.422 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.817 -14.464 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.074 -11.926 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.633 -13.628 6.930 1.00 0.00 H new ATOM 478 N GLN A 35 13.903 -8.050 0.565 1.00 0.00 N ATOM 479 CA GLN A 35 14.958 -7.472 -0.267 1.00 0.00 C ATOM 480 C GLN A 35 15.016 -5.940 -0.146 1.00 0.00 C ATOM 481 O GLN A 35 16.107 -5.409 0.050 1.00 0.00 O ATOM 482 CB GLN A 35 14.911 -8.021 -1.707 1.00 0.00 C ATOM 483 CG GLN A 35 13.744 -7.598 -2.606 1.00 0.00 C ATOM 484 CD GLN A 35 13.321 -8.730 -3.541 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.655 -8.793 -4.718 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.566 -9.691 -3.042 1.00 0.00 N ATOM 0 H GLN A 35 12.971 -7.977 0.156 1.00 0.00 H new ATOM 0 HA GLN A 35 15.922 -7.803 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.836 -7.731 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.909 -9.109 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.897 -7.299 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.033 -6.727 -3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.277 -9.657 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.271 -10.468 -3.634 1.00 0.00 H new ATOM 495 N VAL A 36 13.882 -5.237 -0.182 1.00 0.00 N ATOM 496 CA VAL A 36 13.768 -3.777 -0.219 1.00 0.00 C ATOM 497 C VAL A 36 13.394 -3.178 1.149 1.00 0.00 C ATOM 498 O VAL A 36 13.823 -2.068 1.479 1.00 0.00 O ATOM 499 CB VAL A 36 12.725 -3.355 -1.278 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.796 -1.842 -1.538 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.935 -4.061 -2.618 1.00 0.00 C ATOM 0 H VAL A 36 12.970 -5.695 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 36 14.750 -3.386 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 36 11.754 -3.637 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.053 -1.566 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.595 -1.304 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.790 -1.581 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.176 -3.729 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.924 -3.819 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.854 -5.139 -2.478 1.00 0.00 H new ATOM 511 N GLY A 37 12.644 -3.899 1.989 1.00 0.00 N ATOM 512 CA GLY A 37 12.150 -3.383 3.266 1.00 0.00 C ATOM 513 C GLY A 37 10.697 -2.944 3.136 1.00 0.00 C ATOM 514 O GLY A 37 9.936 -3.524 2.368 1.00 0.00 O ATOM 0 H GLY A 37 12.362 -4.861 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.237 -4.152 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.763 -2.541 3.587 1.00 0.00 H new ATOM 518 N SER A 38 10.232 -2.003 3.955 1.00 0.00 N ATOM 519 CA SER A 38 8.848 -1.544 3.869 1.00 0.00 C ATOM 520 C SER A 38 8.768 -0.048 4.149 1.00 0.00 C ATOM 521 O SER A 38 9.619 0.459 4.884 1.00 0.00 O ATOM 522 CB SER A 38 7.971 -2.317 4.871 1.00 0.00 C ATOM 523 OG SER A 38 8.326 -3.693 4.955 1.00 0.00 O ATOM 0 H SER A 38 10.787 -1.547 4.679 1.00 0.00 H new ATOM 0 HA SER A 38 8.480 -1.731 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.062 -1.860 5.857 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.925 -2.232 4.575 1.00 0.00 H new ATOM 0 HG SER A 38 7.833 -4.200 4.277 1.00 0.00 H new ATOM 529 N PRO A 39 7.730 0.638 3.648 1.00 0.00 N ATOM 530 CA PRO A 39 7.482 2.039 3.954 1.00 0.00 C ATOM 531 C PRO A 39 7.211 2.221 5.447 1.00 0.00 C ATOM 532 O PRO A 39 6.790 1.284 6.135 1.00 0.00 O ATOM 533 CB PRO A 39 6.282 2.436 3.089 1.00 0.00 C ATOM 534 CG PRO A 39 5.555 1.115 2.874 1.00 0.00 C ATOM 535 CD PRO A 39 6.687 0.112 2.777 1.00 0.00 C ATOM 0 HA PRO A 39 8.341 2.674 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.648 3.167 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.596 2.881 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.883 0.886 3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.951 1.130 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.366 -0.879 3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.041 0.014 1.751 1.00 0.00 H new ATOM 543 N ASN A 40 7.430 3.430 5.964 1.00 0.00 N ATOM 544 CA ASN A 40 6.939 3.824 7.291 1.00 0.00 C ATOM 545 C ASN A 40 5.733 4.729 7.067 1.00 0.00 C ATOM 546 O ASN A 40 5.743 5.521 6.133 1.00 0.00 O ATOM 547 CB ASN A 40 8.020 4.529 8.131 1.00 0.00 C ATOM 548 CG ASN A 40 7.476 5.047 9.468 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.654 5.950 9.504 1.00 0.00 O ATOM 550 ND2 ASN A 40 7.817 4.448 10.594 1.00 0.00 N ATOM 0 H ASN A 40 7.950 4.163 5.480 1.00 0.00 H new ATOM 0 HA ASN A 40 6.662 2.938 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.839 3.835 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.432 5.362 7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.396 4.741 11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.502 3.692 10.582 1.00 0.00 H new ATOM 557 N ILE A 41 4.700 4.602 7.902 1.00 0.00 N ATOM 558 CA ILE A 41 3.614 5.578 8.025 1.00 0.00 C ATOM 559 C ILE A 41 3.182 5.761 9.491 1.00 0.00 C ATOM 560 O ILE A 41 2.108 6.294 9.744 1.00 0.00 O ATOM 561 CB ILE A 41 2.418 5.189 7.120 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.789 3.814 7.469 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.829 5.251 5.639 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.256 3.886 7.539 1.00 0.00 C ATOM 0 H ILE A 41 4.592 3.801 8.525 1.00 0.00 H new ATOM 0 HA ILE A 41 3.990 6.542 7.682 1.00 0.00 H new ATOM 0 HB ILE A 41 1.635 5.923 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.084 3.079 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.180 3.468 8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.980 4.975 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.148 6.264 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.651 4.558 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.144 2.902 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.040 4.601 8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.138 4.206 6.574 1.00 0.00 H new ATOM 576 N LYS A 42 3.930 5.216 10.457 1.00 0.00 N ATOM 577 CA LYS A 42 3.419 4.952 11.800 1.00 0.00 C ATOM 578 C LYS A 42 2.925 6.212 12.491 1.00 0.00 C ATOM 579 O LYS A 42 1.817 6.184 13.017 1.00 0.00 O ATOM 580 CB LYS A 42 4.464 4.159 12.604 1.00 0.00 C ATOM 581 CG LYS A 42 3.900 3.227 13.690 1.00 0.00 C ATOM 582 CD LYS A 42 3.515 3.979 14.970 1.00 0.00 C ATOM 583 CE LYS A 42 3.046 3.016 16.063 1.00 0.00 C ATOM 584 NZ LYS A 42 2.498 3.757 17.214 1.00 0.00 N ATOM 0 H LYS A 42 4.905 4.947 10.327 1.00 0.00 H new ATOM 0 HA LYS A 42 2.529 4.327 11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.054 3.562 11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.146 4.866 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.024 2.709 13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.641 2.464 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.371 4.551 15.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.723 4.695 14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.286 2.345 15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.880 2.394 16.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.186 3.084 17.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.233 4.379 17.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.688 4.331 16.904 1.00 0.00 H new ATOM 598 N GLY A 43 3.666 7.317 12.451 1.00 0.00 N ATOM 599 CA GLY A 43 3.205 8.534 13.100 1.00 0.00 C ATOM 600 C GLY A 43 1.986 9.160 12.421 1.00 0.00 C ATOM 601 O GLY A 43 1.369 10.038 13.021 1.00 0.00 O ATOM 0 H GLY A 43 4.570 7.392 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.959 8.312 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.018 9.260 13.113 1.00 0.00 H new ATOM 605 N LEU A 44 1.604 8.730 11.208 1.00 0.00 N ATOM 606 CA LEU A 44 0.327 9.131 10.620 1.00 0.00 C ATOM 607 C LEU A 44 -0.856 8.447 11.312 1.00 0.00 C ATOM 608 O LEU A 44 -1.990 8.847 11.042 1.00 0.00 O ATOM 609 CB LEU A 44 0.215 8.824 9.117 1.00 0.00 C ATOM 610 CG LEU A 44 1.251 9.404 8.148 1.00 0.00 C ATOM 611 CD1 LEU A 44 0.766 9.066 6.730 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.411 10.921 8.277 1.00 0.00 C ATOM 0 H LEU A 44 2.161 8.108 10.622 1.00 0.00 H new ATOM 0 HA LEU A 44 0.294 10.211 10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.232 7.740 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.767 9.163 8.787 1.00 0.00 H new ATOM 0 HG LEU A 44 2.226 8.973 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.473 9.460 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.694 7.984 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.214 9.514 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.158 11.270 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.457 11.406 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.731 11.168 9.289 1.00 0.00 H new ATOM 624 N GLY A 45 -0.642 7.452 12.182 1.00 0.00 N ATOM 625 CA GLY A 45 -1.711 6.920 13.023 1.00 0.00 C ATOM 626 C GLY A 45 -1.506 5.482 13.433 1.00 0.00 C ATOM 627 O GLY A 45 -2.080 5.024 14.427 1.00 0.00 O ATOM 0 H GLY A 45 0.263 7.002 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.796 7.535 13.919 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.657 7.004 12.488 1.00 0.00 H new ATOM 631 N LYS A 46 -0.739 4.739 12.642 1.00 0.00 N ATOM 632 CA LYS A 46 -0.765 3.293 12.597 1.00 0.00 C ATOM 633 C LYS A 46 0.194 2.862 11.503 1.00 0.00 C ATOM 634 O LYS A 46 0.610 3.651 10.660 1.00 0.00 O ATOM 635 CB LYS A 46 -2.193 2.773 12.318 1.00 0.00 C ATOM 636 CG LYS A 46 -2.690 2.859 10.873 1.00 0.00 C ATOM 637 CD LYS A 46 -2.806 4.229 10.204 1.00 0.00 C ATOM 638 CE LYS A 46 -4.289 4.565 10.004 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.564 5.996 9.790 1.00 0.00 N ATOM 0 H LYS A 46 -0.063 5.146 11.996 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.463 2.875 13.557 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.242 1.730 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.886 3.329 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.025 2.250 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.674 2.392 10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.328 4.990 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.289 4.224 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.664 4.003 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.847 4.227 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.223 6.336 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.675 6.533 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.988 6.131 8.850 1.00 0.00 H new ATOM 653 N LYS A 47 0.581 1.602 11.532 1.00 0.00 N ATOM 654 CA LYS A 47 1.370 0.957 10.503 1.00 0.00 C ATOM 655 C LYS A 47 0.417 0.416 9.444 1.00 0.00 C ATOM 656 O LYS A 47 -0.665 -0.052 9.796 1.00 0.00 O ATOM 657 CB LYS A 47 2.182 -0.177 11.155 1.00 0.00 C ATOM 658 CG LYS A 47 3.409 -0.548 10.321 1.00 0.00 C ATOM 659 CD LYS A 47 4.458 0.570 10.332 1.00 0.00 C ATOM 660 CE LYS A 47 4.727 1.103 8.926 1.00 0.00 C ATOM 661 NZ LYS A 47 5.201 0.047 8.008 1.00 0.00 N ATOM 0 H LYS A 47 0.345 0.976 12.302 1.00 0.00 H new ATOM 0 HA LYS A 47 2.063 1.653 10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.499 0.129 12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.547 -1.054 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.850 -1.466 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.104 -0.751 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.116 1.384 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.386 0.195 10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.814 1.546 8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.471 1.898 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.941 0.433 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.590 -0.744 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.406 -0.293 7.430 1.00 0.00 H new ATOM 675 N ALA A 48 0.844 0.413 8.183 1.00 0.00 N ATOM 676 CA ALA A 48 0.107 -0.234 7.111 1.00 0.00 C ATOM 677 C ALA A 48 -0.130 -1.706 7.426 1.00 0.00 C ATOM 678 O ALA A 48 0.664 -2.334 8.133 1.00 0.00 O ATOM 679 CB ALA A 48 0.946 -0.178 5.842 1.00 0.00 C ATOM 0 H ALA A 48 1.710 0.860 7.881 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.848 0.278 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.406 -0.660 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.143 0.862 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.891 -0.696 6.007 1.00 0.00 H new ATOM 685 N VAL A 49 -1.158 -2.272 6.814 1.00 0.00 N ATOM 686 CA VAL A 49 -1.348 -3.708 6.698 1.00 0.00 C ATOM 687 C VAL A 49 -0.412 -4.211 5.587 1.00 0.00 C ATOM 688 O VAL A 49 -0.078 -3.451 4.676 1.00 0.00 O ATOM 689 CB VAL A 49 -2.839 -3.929 6.376 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.201 -5.397 6.130 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.735 -3.401 7.510 1.00 0.00 C ATOM 0 H VAL A 49 -1.902 -1.731 6.373 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.105 -4.260 7.606 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.014 -3.375 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.265 -5.477 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.626 -5.777 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.970 -5.983 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.781 -3.570 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.497 -3.925 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.562 -2.333 7.643 1.00 0.00 H new ATOM 701 N SER A 50 -0.031 -5.491 5.619 1.00 0.00 N ATOM 702 CA SER A 50 0.660 -6.187 4.538 1.00 0.00 C ATOM 703 C SER A 50 -0.208 -7.371 4.121 1.00 0.00 C ATOM 704 O SER A 50 -0.586 -8.188 4.970 1.00 0.00 O ATOM 705 CB SER A 50 2.065 -6.607 4.993 1.00 0.00 C ATOM 706 OG SER A 50 2.034 -7.405 6.169 1.00 0.00 O ATOM 0 H SER A 50 -0.203 -6.089 6.427 1.00 0.00 H new ATOM 0 HA SER A 50 0.804 -5.539 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.553 -7.162 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.667 -5.717 5.176 1.00 0.00 H new ATOM 0 HG SER A 50 1.248 -7.990 6.146 1.00 0.00 H new ATOM 712 N THR A 51 -0.592 -7.483 2.853 1.00 0.00 N ATOM 713 CA THR A 51 -1.262 -8.659 2.300 1.00 0.00 C ATOM 714 C THR A 51 -0.949 -8.662 0.810 1.00 0.00 C ATOM 715 O THR A 51 -1.443 -7.789 0.105 1.00 0.00 O ATOM 716 CB THR A 51 -2.781 -8.611 2.561 1.00 0.00 C ATOM 717 OG1 THR A 51 -3.023 -8.501 3.952 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.483 -9.871 2.057 1.00 0.00 C ATOM 0 H THR A 51 -0.444 -6.744 2.166 1.00 0.00 H new ATOM 0 HA THR A 51 -0.909 -9.575 2.774 1.00 0.00 H new ATOM 0 HB THR A 51 -3.175 -7.747 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.188 -8.654 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.551 -9.798 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.323 -9.972 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.076 -10.743 2.568 1.00 0.00 H new ATOM 726 N VAL A 52 -0.099 -9.580 0.342 1.00 0.00 N ATOM 727 CA VAL A 52 0.235 -9.652 -1.078 1.00 0.00 C ATOM 728 C VAL A 52 -1.058 -9.940 -1.832 1.00 0.00 C ATOM 729 O VAL A 52 -1.722 -10.947 -1.558 1.00 0.00 O ATOM 730 CB VAL A 52 1.286 -10.731 -1.402 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.845 -10.505 -2.813 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.403 -10.839 -0.355 1.00 0.00 C ATOM 0 H VAL A 52 0.366 -10.278 0.923 1.00 0.00 H new ATOM 0 HA VAL A 52 0.681 -8.704 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 52 0.778 -11.695 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.588 -11.271 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.034 -10.563 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.311 -9.521 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.105 -11.619 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.928 -9.886 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.971 -11.089 0.614 1.00 0.00 H new ATOM 742 N TYR A 53 -1.433 -9.049 -2.742 1.00 0.00 N ATOM 743 CA TYR A 53 -2.587 -9.277 -3.582 1.00 0.00 C ATOM 744 C TYR A 53 -2.271 -10.356 -4.613 1.00 0.00 C ATOM 745 O TYR A 53 -1.147 -10.454 -5.116 1.00 0.00 O ATOM 746 CB TYR A 53 -3.034 -7.964 -4.212 1.00 0.00 C ATOM 747 CG TYR A 53 -4.107 -8.159 -5.255 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.332 -8.777 -4.930 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.829 -7.780 -6.577 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.266 -9.029 -5.951 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.771 -8.007 -7.587 1.00 0.00 C ATOM 752 CZ TYR A 53 -5.979 -8.660 -7.283 1.00 0.00 C ATOM 753 OH TYR A 53 -6.826 -8.981 -8.294 1.00 0.00 O ATOM 0 H TYR A 53 -0.952 -8.166 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.423 -9.643 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.406 -7.299 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.174 -7.472 -4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.551 -9.054 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.886 -7.312 -6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.206 -9.506 -5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.571 -7.682 -8.597 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.466 -8.645 -9.141 1.00 0.00 H new ATOM 763 N ASN A 54 -3.270 -11.184 -4.909 1.00 0.00 N ATOM 764 CA ASN A 54 -3.194 -12.313 -5.824 1.00 0.00 C ATOM 765 C ASN A 54 -4.466 -12.291 -6.661 1.00 0.00 C ATOM 766 O ASN A 54 -5.556 -12.144 -6.107 1.00 0.00 O ATOM 767 CB ASN A 54 -3.083 -13.635 -5.036 1.00 0.00 C ATOM 768 CG ASN A 54 -1.823 -13.743 -4.181 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.880 -13.978 -2.978 1.00 0.00 O ATOM 770 ND2 ASN A 54 -0.644 -13.615 -4.766 1.00 0.00 N ATOM 0 H ASN A 54 -4.197 -11.078 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.313 -12.241 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.957 -13.737 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.106 -14.468 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.211 -13.712 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.589 -13.420 -5.766 1.00 0.00 H new ATOM 777 N GLY A 55 -4.344 -12.450 -7.980 1.00 0.00 N ATOM 778 CA GLY A 55 -5.477 -12.455 -8.898 1.00 0.00 C ATOM 779 C GLY A 55 -6.149 -13.812 -9.028 1.00 0.00 C ATOM 780 O GLY A 55 -7.083 -13.935 -9.822 1.00 0.00 O ATOM 0 H GLY A 55 -3.444 -12.580 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.212 -11.726 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.138 -12.131 -9.882 1.00 0.00 H new ATOM 784 N GLU A 56 -5.653 -14.816 -8.305 1.00 0.00 N ATOM 785 CA GLU A 56 -6.197 -16.157 -8.248 1.00 0.00 C ATOM 786 C GLU A 56 -7.353 -16.150 -7.243 1.00 0.00 C ATOM 787 O GLU A 56 -8.514 -16.003 -7.618 1.00 0.00 O ATOM 788 CB GLU A 56 -5.058 -17.116 -7.860 1.00 0.00 C ATOM 789 CG GLU A 56 -5.471 -18.590 -7.889 1.00 0.00 C ATOM 790 CD GLU A 56 -5.083 -19.279 -9.198 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.863 -19.364 -9.462 1.00 0.00 O ATOM 792 OE2 GLU A 56 -5.974 -19.787 -9.918 1.00 0.00 O ATOM 0 H GLU A 56 -4.825 -14.704 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.595 -16.495 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.220 -16.967 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.705 -16.864 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.003 -19.112 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.549 -18.665 -7.748 1.00 0.00 H new ATOM 799 N ASP A 57 -7.048 -16.278 -5.952 1.00 0.00 N ATOM 800 CA ASP A 57 -8.033 -16.387 -4.893 1.00 0.00 C ATOM 801 C ASP A 57 -8.532 -15.000 -4.500 1.00 0.00 C ATOM 802 O ASP A 57 -8.161 -14.452 -3.463 1.00 0.00 O ATOM 803 CB ASP A 57 -7.502 -17.226 -3.719 1.00 0.00 C ATOM 804 CG ASP A 57 -6.214 -16.721 -3.058 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.173 -16.635 -3.754 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.164 -16.621 -1.813 1.00 0.00 O ATOM 0 H ASP A 57 -6.086 -16.309 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.903 -16.934 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.280 -17.281 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.330 -18.242 -4.074 1.00 0.00 H new ATOM 811 N LYS A 58 -9.433 -14.447 -5.321 1.00 0.00 N ATOM 812 CA LYS A 58 -10.148 -13.195 -5.050 1.00 0.00 C ATOM 813 C LYS A 58 -10.679 -13.137 -3.605 1.00 0.00 C ATOM 814 O LYS A 58 -10.234 -12.265 -2.847 1.00 0.00 O ATOM 815 CB LYS A 58 -11.238 -12.920 -6.112 1.00 0.00 C ATOM 816 CG LYS A 58 -10.748 -12.206 -7.390 1.00 0.00 C ATOM 817 CD LYS A 58 -10.742 -10.667 -7.286 1.00 0.00 C ATOM 818 CE LYS A 58 -10.467 -10.014 -8.656 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.689 -9.562 -9.361 1.00 0.00 N ATOM 0 H LYS A 58 -9.691 -14.868 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.430 -12.380 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.692 -13.869 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.022 -12.316 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.739 -12.548 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.384 -12.501 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.702 -10.323 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.982 -10.352 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.804 -9.160 -8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.937 -10.727 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.426 -9.135 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.315 -10.376 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.185 -8.858 -8.779 1.00 0.00 H new ATOM 833 N PRO A 59 -11.566 -14.052 -3.169 1.00 0.00 N ATOM 834 CA PRO A 59 -12.050 -14.073 -1.794 1.00 0.00 C ATOM 835 C PRO A 59 -10.939 -14.453 -0.813 1.00 0.00 C ATOM 836 O PRO A 59 -10.919 -13.977 0.324 1.00 0.00 O ATOM 837 CB PRO A 59 -13.180 -15.108 -1.783 1.00 0.00 C ATOM 838 CG PRO A 59 -12.798 -16.068 -2.907 1.00 0.00 C ATOM 839 CD PRO A 59 -12.174 -15.126 -3.936 1.00 0.00 C ATOM 0 HA PRO A 59 -12.397 -13.090 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.245 -15.620 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.150 -14.645 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.093 -16.829 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.666 -16.592 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.430 -15.645 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.929 -14.739 -4.621 1.00 0.00 H new ATOM 847 N GLY A 60 -10.003 -15.307 -1.227 1.00 0.00 N ATOM 848 CA GLY A 60 -8.926 -15.799 -0.383 1.00 0.00 C ATOM 849 C GLY A 60 -7.869 -14.755 -0.054 1.00 0.00 C ATOM 850 O GLY A 60 -6.953 -15.054 0.705 1.00 0.00 O ATOM 0 H GLY A 60 -9.976 -15.680 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.351 -16.176 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.446 -16.643 -0.879 1.00 0.00 H new ATOM 854 N PHE A 61 -8.025 -13.526 -0.531 1.00 0.00 N ATOM 855 CA PHE A 61 -7.197 -12.385 -0.189 1.00 0.00 C ATOM 856 C PHE A 61 -7.963 -11.436 0.724 1.00 0.00 C ATOM 857 O PHE A 61 -7.460 -11.060 1.787 1.00 0.00 O ATOM 858 CB PHE A 61 -6.730 -11.762 -1.494 1.00 0.00 C ATOM 859 CG PHE A 61 -6.357 -10.297 -1.413 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.055 -9.925 -1.055 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.312 -9.305 -1.709 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.699 -8.565 -1.020 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.956 -7.947 -1.682 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.642 -7.579 -1.353 1.00 0.00 C ATOM 0 H PHE A 61 -8.764 -13.292 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.313 -12.669 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.867 -12.321 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.519 -11.879 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.326 -10.682 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.323 -9.590 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.697 -8.278 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.690 -7.189 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.356 -6.538 -1.356 1.00 0.00 H new ATOM 874 N LEU A 62 -9.207 -11.097 0.357 1.00 0.00 N ATOM 875 CA LEU A 62 -10.038 -10.161 1.114 1.00 0.00 C ATOM 876 C LEU A 62 -10.224 -10.597 2.570 1.00 0.00 C ATOM 877 O LEU A 62 -10.416 -9.747 3.438 1.00 0.00 O ATOM 878 CB LEU A 62 -11.405 -9.965 0.437 1.00 0.00 C ATOM 879 CG LEU A 62 -11.361 -9.136 -0.862 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.710 -9.232 -1.576 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.037 -7.655 -0.603 1.00 0.00 C ATOM 0 H LEU A 62 -9.663 -11.468 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.509 -9.208 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.830 -10.944 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.079 -9.478 1.142 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.564 -9.548 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.678 -8.646 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.920 -10.274 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.494 -8.845 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.018 -7.116 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.800 -7.224 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.063 -7.575 -0.120 1.00 0.00 H new ATOM 893 N LYS A 63 -10.090 -11.895 2.869 1.00 0.00 N ATOM 894 CA LYS A 63 -10.218 -12.441 4.209 1.00 0.00 C ATOM 895 C LYS A 63 -9.253 -11.801 5.188 1.00 0.00 C ATOM 896 O LYS A 63 -9.534 -11.810 6.384 1.00 0.00 O ATOM 897 CB LYS A 63 -10.128 -13.980 4.192 1.00 0.00 C ATOM 898 CG LYS A 63 -8.972 -14.617 3.396 1.00 0.00 C ATOM 899 CD LYS A 63 -7.585 -14.188 3.873 1.00 0.00 C ATOM 900 CE LYS A 63 -6.475 -15.185 3.529 1.00 0.00 C ATOM 901 NZ LYS A 63 -6.140 -16.114 4.625 1.00 0.00 N ATOM 0 H LYS A 63 -9.885 -12.603 2.164 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.213 -12.187 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.055 -14.324 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.065 -14.367 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.050 -15.702 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.081 -14.356 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.342 -13.222 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.611 -14.046 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.778 -15.764 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.578 -14.632 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.382 -16.756 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.819 -15.573 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.982 -16.669 4.879 1.00 0.00 H new ATOM 915 N LYS A 64 -8.111 -11.275 4.725 1.00 0.00 N ATOM 916 CA LYS A 64 -7.169 -10.683 5.651 1.00 0.00 C ATOM 917 C LYS A 64 -7.703 -9.329 6.090 1.00 0.00 C ATOM 918 O LYS A 64 -7.584 -8.982 7.263 1.00 0.00 O ATOM 919 CB LYS A 64 -5.755 -10.567 5.064 1.00 0.00 C ATOM 920 CG LYS A 64 -5.127 -11.931 4.734 1.00 0.00 C ATOM 921 CD LYS A 64 -3.629 -12.032 5.059 1.00 0.00 C ATOM 922 CE LYS A 64 -3.088 -13.333 4.452 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.616 -13.370 4.393 1.00 0.00 N ATOM 0 H LYS A 64 -7.833 -11.252 3.744 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.073 -11.340 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.792 -9.962 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.116 -10.041 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.660 -12.706 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.272 -12.138 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.094 -11.173 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.474 -12.024 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.444 -14.178 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.490 -13.453 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.308 -14.271 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.272 -12.581 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.228 -13.284 5.354 1.00 0.00 H new ATOM 937 N LEU A 65 -8.293 -8.568 5.164 1.00 0.00 N ATOM 938 CA LEU A 65 -8.800 -7.232 5.432 1.00 0.00 C ATOM 939 C LEU A 65 -9.905 -7.314 6.480 1.00 0.00 C ATOM 940 O LEU A 65 -9.857 -6.565 7.453 1.00 0.00 O ATOM 941 CB LEU A 65 -9.293 -6.531 4.152 1.00 0.00 C ATOM 942 CG LEU A 65 -8.158 -6.052 3.218 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.650 -7.123 2.244 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.638 -4.848 2.407 1.00 0.00 C ATOM 0 H LEU A 65 -8.430 -8.871 4.200 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.982 -6.624 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.938 -7.216 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.904 -5.673 4.433 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.324 -5.795 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.855 -6.705 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.263 -7.973 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.470 -7.453 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.838 -4.510 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.504 -5.134 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.916 -4.040 3.084 1.00 0.00 H new ATOM 956 N SER A 66 -10.815 -8.280 6.365 1.00 0.00 N ATOM 957 CA SER A 66 -11.977 -8.428 7.234 1.00 0.00 C ATOM 958 C SER A 66 -11.671 -8.500 8.747 1.00 0.00 C ATOM 959 O SER A 66 -12.578 -8.297 9.556 1.00 0.00 O ATOM 960 CB SER A 66 -12.712 -9.699 6.795 1.00 0.00 C ATOM 961 OG SER A 66 -13.036 -9.680 5.415 1.00 0.00 O ATOM 0 H SER A 66 -10.761 -9.000 5.644 1.00 0.00 H new ATOM 0 HA SER A 66 -12.577 -7.525 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.090 -10.568 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.625 -9.809 7.380 1.00 0.00 H new ATOM 0 HG SER A 66 -13.502 -10.509 5.177 1.00 0.00 H new ATOM 967 N LEU A 67 -10.421 -8.756 9.154 1.00 0.00 N ATOM 968 CA LEU A 67 -9.984 -8.769 10.556 1.00 0.00 C ATOM 969 C LEU A 67 -8.835 -7.799 10.848 1.00 0.00 C ATOM 970 O LEU A 67 -8.397 -7.706 11.994 1.00 0.00 O ATOM 971 CB LEU A 67 -9.603 -10.198 10.973 1.00 0.00 C ATOM 972 CG LEU A 67 -8.383 -10.746 10.207 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.135 -10.837 11.084 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.686 -12.119 9.619 1.00 0.00 C ATOM 0 H LEU A 67 -9.666 -8.965 8.500 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.829 -8.422 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.390 -10.214 12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.455 -10.858 10.808 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.180 -10.037 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.305 -11.229 10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.879 -9.845 11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.329 -11.502 11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.811 -12.486 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.936 -12.812 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.528 -12.042 8.931 1.00 0.00 H new ATOM 986 N LYS A 68 -8.284 -7.118 9.841 1.00 0.00 N ATOM 987 CA LYS A 68 -7.153 -6.206 10.000 1.00 0.00 C ATOM 988 C LYS A 68 -7.603 -4.760 10.183 1.00 0.00 C ATOM 989 O LYS A 68 -6.759 -3.935 10.539 1.00 0.00 O ATOM 990 CB LYS A 68 -6.204 -6.343 8.790 1.00 0.00 C ATOM 991 CG LYS A 68 -4.867 -7.043 9.082 1.00 0.00 C ATOM 992 CD LYS A 68 -4.954 -8.394 9.810 1.00 0.00 C ATOM 993 CE LYS A 68 -3.549 -9.008 9.888 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.411 -10.057 10.924 1.00 0.00 N ATOM 0 H LYS A 68 -8.617 -7.187 8.879 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.619 -6.483 10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.720 -6.895 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.996 -5.348 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.347 -7.196 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.251 -6.371 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.362 -8.257 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.630 -9.065 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.294 -9.434 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.827 -8.216 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.438 -10.425 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.623 -9.652 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.075 -10.832 10.724 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.871 -4.435 9.941 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.392 -3.073 9.990 1.00 0.00 C ATOM 1010 C PHE A 69 -10.423 -2.978 11.112 1.00 0.00 C ATOM 1011 O PHE A 69 -10.702 -3.971 11.791 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.951 -2.674 8.612 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.906 -2.592 7.514 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.265 -3.745 7.025 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.572 -1.344 6.969 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.307 -3.664 6.006 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.636 -1.261 5.925 1.00 0.00 C ATOM 1018 CZ PHE A 69 -7.006 -2.418 5.444 1.00 0.00 C ATOM 0 H PHE A 69 -9.580 -5.128 9.700 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.599 -2.360 10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.713 -3.396 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.446 -1.707 8.700 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.516 -4.709 7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.035 -0.446 7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.805 -4.555 5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.400 -0.301 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.289 -2.348 4.640 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.966 -1.783 11.347 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.901 -1.510 12.425 1.00 0.00 C ATOM 1030 C LYS A 70 -13.152 -0.806 11.919 1.00 0.00 C ATOM 1031 O LYS A 70 -14.232 -0.984 12.476 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.158 -0.668 13.477 1.00 0.00 C ATOM 1033 CG LYS A 70 -11.990 -0.521 14.748 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.686 0.836 14.912 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.766 1.881 15.549 1.00 0.00 C ATOM 1036 NZ LYS A 70 -12.466 3.153 15.822 1.00 0.00 N ATOM 0 H LYS A 70 -10.759 -0.963 10.777 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.247 -2.444 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.203 -1.137 13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.935 0.318 13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.747 -1.305 14.762 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.343 -0.687 15.609 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.019 1.193 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.577 0.714 15.528 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.360 1.485 16.480 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.921 2.069 14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.803 3.829 16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.831 3.546 14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.257 2.981 16.475 1.00 0.00 H new ATOM 1050 N ASP A 71 -13.007 0.016 10.888 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.054 0.894 10.384 1.00 0.00 C ATOM 1052 C ASP A 71 -13.912 1.037 8.864 1.00 0.00 C ATOM 1053 O ASP A 71 -13.605 2.116 8.349 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.928 2.205 11.166 1.00 0.00 C ATOM 1055 CG ASP A 71 -14.993 3.234 10.849 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.962 2.927 10.134 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -14.778 4.385 11.308 1.00 0.00 O ATOM 0 H ASP A 71 -12.134 0.092 10.365 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.060 0.504 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.964 1.981 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.949 2.640 10.964 1.00 0.00 H new ATOM 1062 N PRO A 72 -14.017 -0.082 8.118 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.684 -0.117 6.701 1.00 0.00 C ATOM 1064 C PRO A 72 -14.636 0.754 5.884 1.00 0.00 C ATOM 1065 O PRO A 72 -14.212 1.373 4.910 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.732 -1.588 6.295 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.681 -2.209 7.294 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.387 -1.417 8.571 1.00 0.00 C ATOM 0 HA PRO A 72 -12.694 0.297 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.092 -1.709 5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.745 -2.048 6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.721 -2.106 6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.491 -3.274 7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.260 -1.383 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.580 -1.876 9.142 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.892 0.868 6.319 1.00 0.00 N ATOM 1077 CA GLU A 73 -16.963 1.591 5.646 1.00 0.00 C ATOM 1078 C GLU A 73 -16.727 3.099 5.518 1.00 0.00 C ATOM 1079 O GLU A 73 -17.533 3.794 4.896 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.287 1.320 6.364 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.382 1.887 7.787 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.847 1.900 8.214 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.347 0.838 8.661 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.523 2.927 7.974 1.00 0.00 O ATOM 0 H GLU A 73 -16.200 0.437 7.191 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.992 1.215 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.098 1.738 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.445 0.242 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.794 1.280 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.970 2.896 7.820 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.651 3.631 6.097 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.153 4.963 5.796 1.00 0.00 C ATOM 1093 C ASN A 74 -13.624 5.049 5.837 1.00 0.00 C ATOM 1094 O ASN A 74 -13.083 6.148 5.705 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.817 6.003 6.712 1.00 0.00 C ATOM 1096 CG ASN A 74 -15.256 6.124 8.120 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -14.573 5.129 8.648 1.00 0.00 O flip ATOM 1098 ND2 ASN A 74 -15.468 7.137 8.782 1.00 0.00 N flip ATOM 0 H ASN A 74 -15.097 3.138 6.797 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.430 5.191 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.743 6.978 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.878 5.764 6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.996 7.910 8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.116 7.205 9.737 1.00 0.00 H new ATOM 1105 N THR A 75 -12.919 3.933 6.050 1.00 0.00 N ATOM 1106 CA THR A 75 -11.475 3.908 5.970 1.00 0.00 C ATOM 1107 C THR A 75 -11.101 4.028 4.501 1.00 0.00 C ATOM 1108 O THR A 75 -11.325 3.114 3.706 1.00 0.00 O ATOM 1109 CB THR A 75 -10.886 2.643 6.614 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.714 2.808 8.007 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.506 2.327 6.037 1.00 0.00 C ATOM 0 H THR A 75 -13.340 3.033 6.281 1.00 0.00 H new ATOM 0 HA THR A 75 -11.052 4.740 6.533 1.00 0.00 H new ATOM 0 HB THR A 75 -11.590 1.838 6.406 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.092 3.546 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.111 1.427 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.589 2.166 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.832 3.162 6.227 1.00 0.00 H new ATOM 1119 N THR A 76 -10.503 5.149 4.146 1.00 0.00 N ATOM 1120 CA THR A 76 -10.075 5.442 2.797 1.00 0.00 C ATOM 1121 C THR A 76 -8.759 4.694 2.559 1.00 0.00 C ATOM 1122 O THR A 76 -7.718 5.082 3.091 1.00 0.00 O ATOM 1123 CB THR A 76 -10.044 6.978 2.670 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.299 7.472 3.102 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.864 7.474 1.246 1.00 0.00 C ATOM 0 H THR A 76 -10.297 5.898 4.807 1.00 0.00 H new ATOM 0 HA THR A 76 -10.738 5.094 2.005 1.00 0.00 H new ATOM 0 HB THR A 76 -9.196 7.323 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.307 8.450 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.852 8.564 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.922 7.098 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.688 7.116 0.629 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.815 3.529 1.898 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.668 2.634 1.789 1.00 0.00 C ATOM 1135 C LEU A 77 -6.774 3.046 0.633 1.00 0.00 C ATOM 1136 O LEU A 77 -7.241 3.262 -0.483 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.096 1.180 1.542 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.508 0.149 2.510 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.783 -1.266 1.987 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -6.009 0.324 2.755 1.00 0.00 C ATOM 0 H LEU A 77 -9.654 3.188 1.429 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.135 2.703 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.183 1.125 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.813 0.903 0.527 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.000 0.309 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.363 -1.997 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.859 -1.421 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.323 -1.387 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.662 -0.441 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.472 0.227 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.822 1.311 3.179 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.479 3.070 0.875 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.472 3.387 -0.117 1.00 0.00 C ATOM 1154 C TYR A 78 -3.694 2.108 -0.400 1.00 0.00 C ATOM 1155 O TYR A 78 -2.918 1.665 0.446 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.595 4.541 0.400 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.304 5.886 0.419 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.184 6.216 1.469 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.121 6.794 -0.640 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -5.909 7.417 1.445 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -4.828 8.010 -0.656 1.00 0.00 C ATOM 1162 CZ TYR A 78 -5.755 8.308 0.365 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.546 9.410 0.288 1.00 0.00 O ATOM 0 H TYR A 78 -5.087 2.864 1.794 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.905 3.734 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.256 4.304 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.705 4.618 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.302 5.537 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.437 6.557 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.584 7.658 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.660 8.719 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.315 9.923 -0.514 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.914 1.466 -1.546 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.094 0.321 -1.930 1.00 0.00 C ATOM 1175 C ILE A 79 -1.715 0.801 -2.396 1.00 0.00 C ATOM 1176 O ILE A 79 -1.636 1.854 -3.033 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.829 -0.481 -3.012 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -5.151 -1.033 -2.432 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.980 -1.674 -3.462 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.361 -0.153 -2.714 1.00 0.00 C ATOM 0 H ILE A 79 -4.642 1.715 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.933 -0.337 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.020 0.179 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.331 -2.026 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.043 -1.151 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.515 -2.233 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.034 -1.315 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.785 -2.324 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.250 -0.606 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.203 0.833 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.497 -0.055 -3.791 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.657 0.020 -2.140 1.00 0.00 N ATOM 1193 CA LEU A 80 0.725 0.292 -2.545 1.00 0.00 C ATOM 1194 C LEU A 80 1.337 -0.985 -3.139 1.00 0.00 C ATOM 1195 O LEU A 80 1.493 -1.972 -2.418 1.00 0.00 O ATOM 1196 CB LEU A 80 1.519 0.789 -1.319 1.00 0.00 C ATOM 1197 CG LEU A 80 2.785 1.616 -1.623 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.583 1.783 -0.325 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.719 1.057 -2.682 1.00 0.00 C ATOM 0 H LEU A 80 -0.747 -0.855 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 80 0.758 1.068 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.854 1.393 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.809 -0.077 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 80 2.413 2.555 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.482 2.366 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.971 2.300 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.864 0.802 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.571 1.726 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.072 0.073 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.185 0.970 -3.628 1.00 0.00 H new ATOM 1211 N ASP A 81 1.654 -0.979 -4.438 1.00 0.00 N ATOM 1212 CA ASP A 81 2.333 -2.054 -5.176 1.00 0.00 C ATOM 1213 C ASP A 81 3.824 -1.715 -5.413 1.00 0.00 C ATOM 1214 O ASP A 81 4.302 -0.645 -5.060 1.00 0.00 O ATOM 1215 CB ASP A 81 1.564 -2.373 -6.483 1.00 0.00 C ATOM 1216 CG ASP A 81 2.339 -2.017 -7.751 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.293 -0.832 -8.151 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.032 -2.919 -8.286 1.00 0.00 O ATOM 0 H ASP A 81 1.433 -0.183 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 81 2.326 -2.962 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.321 -3.435 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.619 -1.830 -6.480 1.00 0.00 H new ATOM 1223 N LYS A 82 4.601 -2.645 -5.967 1.00 0.00 N ATOM 1224 CA LYS A 82 5.998 -2.473 -6.365 1.00 0.00 C ATOM 1225 C LYS A 82 6.178 -1.415 -7.443 1.00 0.00 C ATOM 1226 O LYS A 82 7.107 -0.635 -7.292 1.00 0.00 O ATOM 1227 CB LYS A 82 6.567 -3.825 -6.828 1.00 0.00 C ATOM 1228 CG LYS A 82 6.620 -4.854 -5.687 1.00 0.00 C ATOM 1229 CD LYS A 82 7.016 -6.256 -6.146 1.00 0.00 C ATOM 1230 CE LYS A 82 8.489 -6.310 -6.550 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.903 -7.687 -6.881 1.00 0.00 N ATOM 0 H LYS A 82 4.256 -3.585 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 82 6.549 -2.118 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.954 -4.216 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.570 -3.677 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.331 -4.513 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.643 -4.901 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.830 -6.970 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.394 -6.555 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.657 -5.661 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.106 -5.928 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.907 -7.692 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.764 -8.300 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.329 -8.041 -7.673 1.00 0.00 H new ATOM 1245 N PHE A 83 5.418 -1.402 -8.536 1.00 0.00 N ATOM 1246 CA PHE A 83 5.803 -0.643 -9.722 1.00 0.00 C ATOM 1247 C PHE A 83 4.625 -0.361 -10.647 1.00 0.00 C ATOM 1248 O PHE A 83 4.596 0.648 -11.354 1.00 0.00 O ATOM 1249 CB PHE A 83 6.814 -1.508 -10.486 1.00 0.00 C ATOM 1250 CG PHE A 83 7.402 -0.874 -11.726 1.00 0.00 C ATOM 1251 CD1 PHE A 83 8.362 0.141 -11.597 1.00 0.00 C ATOM 1252 CD2 PHE A 83 7.023 -1.324 -13.002 1.00 0.00 C ATOM 1253 CE1 PHE A 83 8.978 0.682 -12.740 1.00 0.00 C ATOM 1254 CE2 PHE A 83 7.612 -0.762 -14.149 1.00 0.00 C ATOM 1255 CZ PHE A 83 8.596 0.233 -14.017 1.00 0.00 C ATOM 0 H PHE A 83 4.536 -1.906 -8.624 1.00 0.00 H new ATOM 0 HA PHE A 83 6.208 0.319 -9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.629 -1.768 -9.810 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.327 -2.440 -10.771 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.629 0.508 -10.617 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.280 -2.101 -13.102 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.741 1.439 -12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.308 -1.095 -15.131 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.059 0.653 -14.897 1.00 0.00 H new ATOM 1265 N ASP A 84 3.718 -1.326 -10.746 1.00 0.00 N ATOM 1266 CA ASP A 84 2.638 -1.382 -11.716 1.00 0.00 C ATOM 1267 C ASP A 84 1.602 -2.326 -11.130 1.00 0.00 C ATOM 1268 O ASP A 84 0.536 -1.889 -10.698 1.00 0.00 O ATOM 1269 CB ASP A 84 3.189 -1.896 -13.054 1.00 0.00 C ATOM 1270 CG ASP A 84 2.165 -1.830 -14.179 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.053 -2.380 -14.040 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.507 -1.290 -15.257 1.00 0.00 O ATOM 0 H ASP A 84 3.719 -2.130 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 84 2.191 -0.407 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.064 -1.308 -13.331 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.522 -2.927 -12.932 1.00 0.00 H new ATOM 1277 N GLY A 85 1.983 -3.603 -11.020 1.00 0.00 N ATOM 1278 CA GLY A 85 1.286 -4.642 -10.291 1.00 0.00 C ATOM 1279 C GLY A 85 -0.193 -4.616 -10.616 1.00 0.00 C ATOM 1280 O GLY A 85 -0.591 -5.019 -11.708 1.00 0.00 O ATOM 0 H GLY A 85 2.834 -3.948 -11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.703 -5.616 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.432 -4.503 -9.220 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.001 -4.222 -9.633 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.460 -4.241 -9.706 1.00 0.00 C ATOM 1286 C ASN A 86 -3.084 -3.286 -8.670 1.00 0.00 C ATOM 1287 O ASN A 86 -4.180 -3.563 -8.183 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.010 -5.661 -9.447 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.397 -6.803 -10.245 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.479 -7.466 -9.759 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -2.893 -7.098 -11.436 1.00 0.00 N ATOM 0 H ASN A 86 -0.650 -3.872 -8.742 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.729 -3.917 -10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.883 -5.884 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.082 -5.649 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.515 -7.884 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.653 -6.540 -11.825 1.00 0.00 H new ATOM 1298 N SER A 87 -2.378 -2.254 -8.193 1.00 0.00 N ATOM 1299 CA SER A 87 -2.885 -1.358 -7.152 1.00 0.00 C ATOM 1300 C SER A 87 -4.232 -0.753 -7.526 1.00 0.00 C ATOM 1301 O SER A 87 -5.110 -0.681 -6.669 1.00 0.00 O ATOM 1302 CB SER A 87 -1.841 -0.293 -6.793 1.00 0.00 C ATOM 1303 OG SER A 87 -1.072 0.085 -7.914 1.00 0.00 O ATOM 0 H SER A 87 -1.441 -2.018 -8.519 1.00 0.00 H new ATOM 0 HA SER A 87 -3.062 -1.953 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.342 0.584 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.183 -0.677 -6.013 1.00 0.00 H new ATOM 0 HG SER A 87 -0.419 0.766 -7.648 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.429 -0.381 -8.791 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.681 0.214 -9.245 1.00 0.00 C ATOM 1311 C GLU A 88 -6.823 -0.802 -9.236 1.00 0.00 C ATOM 1312 O GLU A 88 -7.968 -0.422 -8.995 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.536 0.804 -10.647 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.348 1.762 -10.751 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.198 2.407 -12.130 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.159 2.342 -12.936 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.092 2.959 -12.355 1.00 0.00 O ATOM 0 H GLU A 88 -3.728 -0.484 -9.525 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.921 1.014 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.413 -0.004 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.451 1.333 -10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.459 2.547 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.433 1.220 -10.512 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.511 -2.082 -9.468 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.468 -3.181 -9.422 1.00 0.00 C ATOM 1326 C LEU A 89 -7.969 -3.319 -7.984 1.00 0.00 C ATOM 1327 O LEU A 89 -9.168 -3.331 -7.721 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.789 -4.471 -9.926 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.701 -5.632 -10.363 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.566 -6.203 -9.238 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.570 -5.273 -11.573 1.00 0.00 C ATOM 0 H LEU A 89 -5.564 -2.384 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.323 -2.989 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.152 -4.208 -10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.134 -4.837 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.008 -6.420 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.179 -7.016 -9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.925 -6.581 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.212 -5.419 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.193 -6.127 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.205 -4.423 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.930 -5.014 -12.416 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.049 -3.395 -7.020 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.419 -3.499 -5.614 1.00 0.00 C ATOM 1345 C VAL A 90 -8.128 -2.206 -5.164 1.00 0.00 C ATOM 1346 O VAL A 90 -9.073 -2.291 -4.369 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.189 -3.897 -4.776 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.538 -4.274 -3.323 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.471 -5.131 -5.346 1.00 0.00 C ATOM 0 H VAL A 90 -6.043 -3.386 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.144 -4.297 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.560 -3.007 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.627 -4.544 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.010 -3.424 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.224 -5.121 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.611 -5.372 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.158 -5.977 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.134 -4.920 -6.361 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.765 -1.038 -5.717 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.434 0.234 -5.456 1.00 0.00 C ATOM 1361 C ALA A 91 -9.895 0.219 -5.928 1.00 0.00 C ATOM 1362 O ALA A 91 -10.713 0.955 -5.377 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.680 1.397 -6.111 1.00 0.00 C ATOM 0 H ALA A 91 -6.984 -0.956 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.432 0.378 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.200 2.332 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.668 1.446 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.636 1.241 -7.189 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.272 -0.622 -6.896 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.662 -0.766 -7.330 1.00 0.00 C ATOM 1371 C GLU A 92 -12.315 -2.036 -6.766 1.00 0.00 C ATOM 1372 O GLU A 92 -13.442 -2.354 -7.137 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.782 -0.668 -8.870 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.122 -1.840 -9.616 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.421 -1.885 -11.116 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.053 -0.924 -11.834 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.974 -2.914 -11.576 1.00 0.00 O ATOM 0 H GLU A 92 -9.620 -1.222 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.224 0.070 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.837 -0.624 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.328 0.265 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.043 -1.783 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.453 -2.775 -9.164 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.652 -2.764 -5.862 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.169 -4.002 -5.280 1.00 0.00 C ATOM 1386 C LEU A 93 -12.664 -3.759 -3.863 1.00 0.00 C ATOM 1387 O LEU A 93 -13.808 -4.089 -3.552 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.073 -5.083 -5.321 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.466 -6.420 -4.661 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.490 -7.203 -5.484 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.217 -7.283 -4.467 1.00 0.00 C ATOM 0 H LEU A 93 -10.730 -2.505 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.020 -4.352 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.805 -5.271 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.181 -4.697 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.925 -6.181 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.731 -8.135 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.396 -6.608 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.074 -7.425 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.496 -8.228 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.756 -7.479 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.508 -6.758 -3.827 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.826 -3.217 -2.976 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.195 -3.080 -1.563 1.00 0.00 C ATOM 1405 C VAL A 94 -13.464 -2.238 -1.395 1.00 0.00 C ATOM 1406 O VAL A 94 -14.358 -2.597 -0.624 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.026 -2.525 -0.730 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.886 -3.556 -0.685 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.462 -1.193 -1.232 1.00 0.00 C ATOM 0 H VAL A 94 -10.896 -2.868 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.418 -4.077 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.439 -2.335 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.060 -3.160 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.247 -4.478 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.541 -3.762 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.643 -0.878 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.094 -1.315 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.247 -0.437 -1.218 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.577 -1.169 -2.186 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.688 -0.233 -2.174 1.00 0.00 C ATOM 1421 C ALA A 95 -16.026 -0.871 -2.595 1.00 0.00 C ATOM 1422 O ALA A 95 -17.085 -0.249 -2.482 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.334 0.916 -3.121 1.00 0.00 C ATOM 0 H ALA A 95 -12.866 -0.928 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.833 0.116 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.149 1.639 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.422 1.404 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.178 0.524 -4.126 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.986 -2.098 -3.113 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.101 -2.879 -3.615 1.00 0.00 C ATOM 1431 C LEU A 96 -17.363 -4.099 -2.718 1.00 0.00 C ATOM 1432 O LEU A 96 -18.239 -4.906 -3.031 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.775 -3.288 -5.067 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.005 -2.167 -6.096 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.127 -0.915 -5.942 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.859 -2.719 -7.516 1.00 0.00 C ATOM 0 H LEU A 96 -15.104 -2.604 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.018 -2.289 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.734 -3.608 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.387 -4.148 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.021 -1.825 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.379 -0.196 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.302 -0.466 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.077 -1.194 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.024 -1.918 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.856 -3.125 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.593 -3.508 -7.677 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.592 -4.269 -1.635 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.524 -5.491 -0.830 1.00 0.00 C ATOM 1450 C ASN A 97 -16.568 -5.205 0.674 1.00 0.00 C ATOM 1451 O ASN A 97 -16.264 -6.093 1.475 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.265 -6.289 -1.219 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.529 -7.095 -2.476 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -16.029 -8.215 -2.405 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.244 -6.541 -3.638 1.00 0.00 N ATOM 0 H ASN A 97 -15.979 -3.533 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.409 -6.091 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.429 -5.609 -1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.980 -6.954 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.438 -7.044 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.829 -5.610 -3.671 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.910 -3.982 1.077 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.151 -3.614 2.465 1.00 0.00 C ATOM 1464 C GLY A 98 -16.503 -2.295 2.874 1.00 0.00 C ATOM 1465 O GLY A 98 -16.711 -1.863 4.009 1.00 0.00 O ATOM 0 H GLY A 98 -17.029 -3.203 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.226 -3.547 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.777 -4.408 3.112 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.738 -1.653 1.986 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.188 -0.317 2.191 1.00 0.00 C ATOM 1471 C PHE A 99 -15.938 0.682 1.287 1.00 0.00 C ATOM 1472 O PHE A 99 -16.791 0.279 0.494 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.684 -0.309 1.875 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.780 -1.151 2.762 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.819 -2.557 2.707 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.880 -0.520 3.643 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.999 -3.318 3.558 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -11.051 -1.287 4.479 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.111 -2.690 4.443 1.00 0.00 C ATOM 0 H PHE A 99 -15.481 -2.059 1.087 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.317 -0.024 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.554 -0.644 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.335 0.723 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.480 -3.052 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.827 0.558 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -12.053 -4.396 3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.364 -0.796 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.479 -3.279 5.091 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.623 1.979 1.371 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.284 3.044 0.612 1.00 0.00 C ATOM 1491 C LYS A 100 -15.518 3.446 -0.653 1.00 0.00 C ATOM 1492 O LYS A 100 -16.098 3.425 -1.741 1.00 0.00 O ATOM 1493 CB LYS A 100 -16.474 4.267 1.522 1.00 0.00 C ATOM 1494 CG LYS A 100 -17.493 5.273 0.973 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.954 4.780 1.007 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.418 4.277 2.386 1.00 0.00 C ATOM 1497 NZ LYS A 100 -19.563 5.363 3.379 1.00 0.00 N ATOM 0 H LYS A 100 -14.884 2.325 1.983 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.248 2.658 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.798 3.932 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.514 4.767 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.420 6.196 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.228 5.516 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.607 5.593 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.071 3.976 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.373 3.763 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.702 3.544 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.928 5.185 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.317 6.272 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.546 5.397 3.716 1.00 0.00 H new ATOM 1511 N SER A 101 -14.258 3.856 -0.531 1.00 0.00 N ATOM 1512 CA SER A 101 -13.459 4.440 -1.601 1.00 0.00 C ATOM 1513 C SER A 101 -11.999 4.083 -1.365 1.00 0.00 C ATOM 1514 O SER A 101 -11.541 4.118 -0.218 1.00 0.00 O ATOM 1515 CB SER A 101 -13.597 5.971 -1.588 1.00 0.00 C ATOM 1516 OG SER A 101 -14.943 6.414 -1.434 1.00 0.00 O ATOM 0 H SER A 101 -13.748 3.787 0.350 1.00 0.00 H new ATOM 0 HA SER A 101 -13.803 4.054 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.993 6.376 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.193 6.373 -2.517 1.00 0.00 H new ATOM 0 HG SER A 101 -14.967 7.394 -1.432 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.259 3.742 -2.418 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.843 3.427 -2.327 1.00 0.00 C ATOM 1524 C ALA A 102 -9.063 4.101 -3.451 1.00 0.00 C ATOM 1525 O ALA A 102 -9.629 4.514 -4.462 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.650 1.910 -2.326 1.00 0.00 C ATOM 0 H ALA A 102 -11.633 3.677 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.448 3.818 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.587 1.679 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.171 1.477 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.054 1.491 -3.248 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.753 4.206 -3.243 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.788 4.893 -4.091 1.00 0.00 C ATOM 1534 C TYR A 103 -5.645 3.936 -4.409 1.00 0.00 C ATOM 1535 O TYR A 103 -5.307 3.068 -3.595 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.172 6.077 -3.328 1.00 0.00 C ATOM 1537 CG TYR A 103 -6.904 7.405 -3.310 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.274 7.515 -2.997 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.163 8.573 -3.558 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -8.905 8.771 -2.965 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -6.770 9.832 -3.485 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.148 9.942 -3.212 1.00 0.00 C ATOM 1543 OH TYR A 103 -8.713 11.180 -3.212 1.00 0.00 O ATOM 0 H TYR A 103 -7.311 3.786 -2.425 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.295 5.235 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.033 5.764 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.180 6.255 -3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.845 6.625 -2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.115 8.498 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.962 8.842 -2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.180 10.723 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.026 11.853 -3.401 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.957 4.188 -5.520 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.674 3.584 -5.841 1.00 0.00 C ATOM 1555 C ALA A 104 -2.582 4.659 -5.862 1.00 0.00 C ATOM 1556 O ALA A 104 -2.858 5.862 -5.957 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.799 2.860 -7.181 1.00 0.00 C ATOM 0 H ALA A 104 -5.287 4.834 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.389 2.855 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.844 2.401 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.565 2.088 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.077 3.574 -7.956 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.325 4.216 -5.818 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.149 5.052 -6.027 1.00 0.00 C ATOM 1565 C ILE A 105 0.536 4.560 -7.298 1.00 0.00 C ATOM 1566 O ILE A 105 0.997 3.421 -7.367 1.00 0.00 O ATOM 1567 CB ILE A 105 0.789 5.124 -4.795 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.245 5.396 -5.226 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.719 3.908 -3.869 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.168 5.772 -4.072 1.00 0.00 C ATOM 0 H ILE A 105 -1.094 3.240 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.452 6.091 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 105 0.420 5.962 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.640 4.508 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.252 6.200 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.408 4.045 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.296 3.800 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.995 3.012 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.174 5.948 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.799 6.678 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.192 4.959 -3.346 1.00 0.00 H new ATOM 1582 N LYS A 106 0.621 5.437 -8.292 1.00 0.00 N ATOM 1583 CA LYS A 106 1.316 5.145 -9.532 1.00 0.00 C ATOM 1584 C LYS A 106 2.811 4.959 -9.270 1.00 0.00 C ATOM 1585 O LYS A 106 3.367 5.643 -8.404 1.00 0.00 O ATOM 1586 CB LYS A 106 1.079 6.326 -10.479 1.00 0.00 C ATOM 1587 CG LYS A 106 1.058 5.931 -11.966 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.182 5.094 -12.322 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.213 4.615 -13.771 1.00 0.00 C ATOM 1590 NZ LYS A 106 -0.437 5.695 -14.745 1.00 0.00 N ATOM 0 H LYS A 106 0.209 6.369 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 106 0.942 4.222 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.131 6.800 -10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.860 7.070 -10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.077 6.831 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.958 5.364 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.224 4.227 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.076 5.687 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.730 4.120 -14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.000 3.869 -13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.446 5.299 -15.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.350 6.154 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.327 6.397 -14.667 1.00 0.00 H new ATOM 1604 N ASP A 107 3.466 4.106 -10.058 1.00 0.00 N ATOM 1605 CA ASP A 107 4.877 3.708 -9.955 1.00 0.00 C ATOM 1606 C ASP A 107 5.200 2.994 -8.636 1.00 0.00 C ATOM 1607 O ASP A 107 6.373 2.739 -8.362 1.00 0.00 O ATOM 1608 CB ASP A 107 5.853 4.876 -10.193 1.00 0.00 C ATOM 1609 CG ASP A 107 5.686 5.617 -11.510 1.00 0.00 C ATOM 1610 OD1 ASP A 107 4.880 6.579 -11.542 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.454 5.324 -12.450 1.00 0.00 O ATOM 0 H ASP A 107 2.998 3.643 -10.837 1.00 0.00 H new ATOM 0 HA ASP A 107 5.025 2.991 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.740 5.591 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.871 4.491 -10.141 1.00 0.00 H new ATOM 1616 N GLY A 108 4.190 2.656 -7.827 1.00 0.00 N ATOM 1617 CA GLY A 108 4.324 1.865 -6.615 1.00 0.00 C ATOM 1618 C GLY A 108 5.388 2.366 -5.664 1.00 0.00 C ATOM 1619 O GLY A 108 5.213 3.386 -4.996 1.00 0.00 O ATOM 0 H GLY A 108 3.227 2.939 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.366 1.851 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.553 0.835 -6.890 1.00 0.00 H new ATOM 1623 N ALA A 109 6.471 1.610 -5.555 1.00 0.00 N ATOM 1624 CA ALA A 109 7.559 1.844 -4.637 1.00 0.00 C ATOM 1625 C ALA A 109 8.849 1.871 -5.428 1.00 0.00 C ATOM 1626 O ALA A 109 9.604 2.824 -5.307 1.00 0.00 O ATOM 1627 CB ALA A 109 7.582 0.736 -3.581 1.00 0.00 C ATOM 0 H ALA A 109 6.615 0.782 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 109 7.435 2.797 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.404 0.912 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.639 0.735 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.720 -0.229 -4.069 1.00 0.00 H new ATOM 1633 N GLU A 110 9.109 0.797 -6.167 1.00 0.00 N ATOM 1634 CA GLU A 110 10.335 0.553 -6.920 1.00 0.00 C ATOM 1635 C GLU A 110 10.263 1.179 -8.324 1.00 0.00 C ATOM 1636 O GLU A 110 10.854 0.658 -9.278 1.00 0.00 O ATOM 1637 CB GLU A 110 10.719 -0.945 -6.941 1.00 0.00 C ATOM 1638 CG GLU A 110 11.225 -1.462 -5.582 1.00 0.00 C ATOM 1639 CD GLU A 110 12.255 -2.593 -5.744 1.00 0.00 C ATOM 1640 OE1 GLU A 110 11.849 -3.778 -5.869 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.480 -2.318 -5.702 1.00 0.00 O ATOM 0 H GLU A 110 8.437 0.035 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 110 11.149 1.056 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.852 -1.531 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.491 -1.105 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.674 -0.639 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 110 10.381 -1.822 -4.994 1.00 0.00 H new ATOM 1648 N GLY A 111 9.522 2.277 -8.483 1.00 0.00 N ATOM 1649 CA GLY A 111 9.510 3.097 -9.684 1.00 0.00 C ATOM 1650 C GLY A 111 10.136 4.463 -9.390 1.00 0.00 C ATOM 1651 O GLY A 111 10.005 4.958 -8.271 1.00 0.00 O ATOM 0 H GLY A 111 8.898 2.626 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.062 2.598 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.487 3.225 -10.037 1.00 0.00 H new ATOM 1655 N PRO A 112 10.721 5.153 -10.389 1.00 0.00 N ATOM 1656 CA PRO A 112 11.371 6.458 -10.208 1.00 0.00 C ATOM 1657 C PRO A 112 10.434 7.567 -9.720 1.00 0.00 C ATOM 1658 O PRO A 112 10.906 8.626 -9.302 1.00 0.00 O ATOM 1659 CB PRO A 112 11.988 6.805 -11.569 1.00 0.00 C ATOM 1660 CG PRO A 112 11.246 5.919 -12.570 1.00 0.00 C ATOM 1661 CD PRO A 112 10.918 4.677 -11.748 1.00 0.00 C ATOM 0 HA PRO A 112 12.117 6.387 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.859 7.862 -11.804 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.059 6.604 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.345 6.403 -12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.865 5.679 -13.434 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.023 4.182 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.728 3.949 -11.796 1.00 0.00 H new ATOM 1669 N ARG A 113 9.120 7.356 -9.759 1.00 0.00 N ATOM 1670 CA ARG A 113 8.117 8.305 -9.289 1.00 0.00 C ATOM 1671 C ARG A 113 7.258 7.717 -8.171 1.00 0.00 C ATOM 1672 O ARG A 113 6.278 8.363 -7.803 1.00 0.00 O ATOM 1673 CB ARG A 113 7.298 8.775 -10.505 1.00 0.00 C ATOM 1674 CG ARG A 113 8.067 9.834 -11.295 1.00 0.00 C ATOM 1675 CD ARG A 113 7.241 10.432 -12.439 1.00 0.00 C ATOM 1676 NE ARG A 113 7.868 11.663 -12.944 1.00 0.00 N ATOM 1677 CZ ARG A 113 7.295 12.583 -13.729 1.00 0.00 C ATOM 1678 NH1 ARG A 113 6.085 12.380 -14.243 1.00 0.00 N ATOM 1679 NH2 ARG A 113 7.912 13.731 -13.987 1.00 0.00 N ATOM 0 H ARG A 113 8.714 6.496 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 113 8.600 9.172 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.073 7.925 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.344 9.184 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.377 10.632 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.976 9.390 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.150 9.706 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.231 10.649 -12.091 1.00 0.00 H new ATOM 0 HE ARG A 113 8.835 11.832 -12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.583 11.515 -14.040 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.659 13.089 -14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.831 13.918 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.467 14.426 -14.587 1.00 0.00 H new ATOM 1693 N GLY A 114 7.567 6.512 -7.685 1.00 0.00 N ATOM 1694 CA GLY A 114 6.787 5.810 -6.682 1.00 0.00 C ATOM 1695 C GLY A 114 7.066 6.377 -5.294 1.00 0.00 C ATOM 1696 O GLY A 114 7.466 7.527 -5.141 1.00 0.00 O ATOM 0 H GLY A 114 8.389 5.991 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.725 5.899 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.029 4.747 -6.703 1.00 0.00 H new ATOM 1700 N TRP A 115 6.810 5.583 -4.258 1.00 0.00 N ATOM 1701 CA TRP A 115 6.997 5.967 -2.865 1.00 0.00 C ATOM 1702 C TRP A 115 8.469 6.308 -2.589 1.00 0.00 C ATOM 1703 O TRP A 115 8.769 7.348 -1.998 1.00 0.00 O ATOM 1704 CB TRP A 115 6.557 4.788 -1.979 1.00 0.00 C ATOM 1705 CG TRP A 115 6.366 5.068 -0.515 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.346 5.249 0.398 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.114 5.239 0.212 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.793 5.457 1.649 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.413 5.460 1.591 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.756 5.261 -0.169 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.399 5.690 2.540 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.740 5.515 0.767 1.00 0.00 C ATOM 1713 CH2 TRP A 115 3.065 5.738 2.115 1.00 0.00 C ATOM 0 H TRP A 115 6.458 4.632 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 115 6.401 6.852 -2.645 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.619 4.399 -2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.298 3.995 -2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.404 5.234 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.334 5.591 2.503 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.492 5.079 -1.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.646 5.828 3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.708 5.539 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.282 5.948 2.828 1.00 0.00 H new ATOM 1724 N LEU A 116 9.392 5.399 -2.923 1.00 0.00 N ATOM 1725 CA LEU A 116 10.804 5.616 -2.914 1.00 0.00 C ATOM 1726 C LEU A 116 11.016 6.648 -4.011 1.00 0.00 C ATOM 1727 O LEU A 116 10.262 6.804 -4.968 1.00 0.00 O ATOM 1728 CB LEU A 116 11.598 4.337 -3.255 1.00 0.00 C ATOM 1729 CG LEU A 116 11.348 3.125 -2.334 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.844 1.827 -2.976 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.052 3.301 -0.988 1.00 0.00 C ATOM 0 H LEU A 116 9.141 4.455 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 116 11.151 5.929 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.360 4.047 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.661 4.575 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 116 10.271 3.065 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.653 0.992 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.318 1.662 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.914 1.902 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.858 2.432 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.125 3.400 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.675 4.197 -0.495 1.00 0.00 H new ATOM 1743 N ASN A 117 12.097 7.354 -3.826 1.00 0.00 N ATOM 1744 CA ASN A 117 12.580 8.507 -4.597 1.00 0.00 C ATOM 1745 C ASN A 117 11.645 9.732 -4.546 1.00 0.00 C ATOM 1746 O ASN A 117 12.016 10.824 -4.994 1.00 0.00 O ATOM 1747 CB ASN A 117 12.861 8.064 -6.042 1.00 0.00 C ATOM 1748 CG ASN A 117 13.687 9.060 -6.835 1.00 0.00 C ATOM 1749 OD1 ASN A 117 14.586 9.719 -6.322 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.411 9.175 -8.120 1.00 0.00 N ATOM 0 H ASN A 117 12.735 7.129 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 117 13.503 8.849 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.381 7.106 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.913 7.902 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.948 9.818 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.661 8.620 -8.532 1.00 0.00 H new ATOM 1757 N SER A 118 10.463 9.614 -3.929 1.00 0.00 N ATOM 1758 CA SER A 118 9.562 10.715 -3.601 1.00 0.00 C ATOM 1759 C SER A 118 9.929 11.358 -2.243 1.00 0.00 C ATOM 1760 O SER A 118 9.229 12.263 -1.779 1.00 0.00 O ATOM 1761 CB SER A 118 8.116 10.201 -3.709 1.00 0.00 C ATOM 1762 OG SER A 118 7.145 11.228 -3.677 1.00 0.00 O ATOM 0 H SER A 118 10.097 8.709 -3.634 1.00 0.00 H new ATOM 0 HA SER A 118 9.666 11.535 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.008 9.639 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.925 9.506 -2.891 1.00 0.00 H new ATOM 0 HG SER A 118 7.415 11.913 -3.031 1.00 0.00 H new ATOM 1768 N SER A 119 11.056 10.962 -1.627 1.00 0.00 N ATOM 1769 CA SER A 119 11.555 11.491 -0.355 1.00 0.00 C ATOM 1770 C SER A 119 10.619 11.132 0.806 1.00 0.00 C ATOM 1771 O SER A 119 10.508 11.855 1.797 1.00 0.00 O ATOM 1772 CB SER A 119 11.885 12.992 -0.486 1.00 0.00 C ATOM 1773 OG SER A 119 12.952 13.355 0.371 1.00 0.00 O ATOM 0 H SER A 119 11.662 10.240 -2.018 1.00 0.00 H new ATOM 0 HA SER A 119 12.499 11.007 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.149 13.221 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.002 13.584 -0.244 1.00 0.00 H new ATOM 0 HG SER A 119 13.143 14.311 0.269 1.00 0.00 H new ATOM 1779 N LEU A 120 9.911 10.009 0.683 1.00 0.00 N ATOM 1780 CA LEU A 120 8.964 9.510 1.669 1.00 0.00 C ATOM 1781 C LEU A 120 9.688 8.692 2.747 1.00 0.00 C ATOM 1782 O LEU A 120 10.788 8.192 2.494 1.00 0.00 O ATOM 1783 CB LEU A 120 7.916 8.680 0.915 1.00 0.00 C ATOM 1784 CG LEU A 120 7.021 9.536 -0.015 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.875 8.736 -0.639 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.444 10.787 0.662 1.00 0.00 C ATOM 0 H LEU A 120 9.987 9.404 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 120 8.471 10.330 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.422 7.918 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.287 8.158 1.636 1.00 0.00 H new ATOM 0 HG LEU A 120 7.701 9.860 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.283 9.389 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.283 7.918 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.242 8.331 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.829 11.335 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.834 10.490 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.259 11.425 1.003 1.00 0.00 H new ATOM 1798 N PRO A 121 9.110 8.517 3.946 1.00 0.00 N ATOM 1799 CA PRO A 121 9.708 7.708 4.998 1.00 0.00 C ATOM 1800 C PRO A 121 9.660 6.204 4.662 1.00 0.00 C ATOM 1801 O PRO A 121 8.706 5.699 4.054 1.00 0.00 O ATOM 1802 CB PRO A 121 8.895 8.064 6.245 1.00 0.00 C ATOM 1803 CG PRO A 121 7.509 8.381 5.700 1.00 0.00 C ATOM 1804 CD PRO A 121 7.827 9.051 4.378 1.00 0.00 C ATOM 0 HA PRO A 121 10.770 7.912 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.866 7.236 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.323 8.918 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.909 7.481 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.951 9.039 6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.052 8.843 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.876 10.134 4.493 1.00 0.00 H new ATOM 1812 N TRP A 122 10.680 5.466 5.107 1.00 0.00 N ATOM 1813 CA TRP A 122 10.820 4.020 4.949 1.00 0.00 C ATOM 1814 C TRP A 122 11.270 3.443 6.297 1.00 0.00 C ATOM 1815 O TRP A 122 11.887 4.168 7.078 1.00 0.00 O ATOM 1816 CB TRP A 122 11.803 3.735 3.795 1.00 0.00 C ATOM 1817 CG TRP A 122 11.657 2.402 3.130 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.497 1.346 3.195 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.679 2.042 2.125 1.00 0.00 C ATOM 1820 NE1 TRP A 122 12.041 0.315 2.390 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.890 0.689 1.727 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.665 2.769 1.478 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 10.044 0.067 0.797 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.902 2.183 0.461 1.00 0.00 C ATOM 1825 CH2 TRP A 122 9.108 0.834 0.119 1.00 0.00 C ATOM 0 H TRP A 122 11.465 5.881 5.609 1.00 0.00 H new ATOM 0 HA TRP A 122 9.880 3.538 4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.683 4.512 3.040 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.819 3.819 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.397 1.311 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.493 -0.595 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.472 3.791 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 10.120 -0.994 0.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 8.157 2.765 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 122 8.531 0.391 -0.680 1.00 0.00 H new ATOM 1836 N ILE A 123 10.952 2.181 6.615 1.00 0.00 N ATOM 1837 CA ILE A 123 11.395 1.473 7.831 1.00 0.00 C ATOM 1838 C ILE A 123 12.759 0.805 7.591 1.00 0.00 C ATOM 1839 O ILE A 123 13.537 0.671 8.539 1.00 0.00 O ATOM 1840 CB ILE A 123 10.310 0.453 8.304 1.00 0.00 C ATOM 1841 CG1 ILE A 123 9.068 1.220 8.795 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.818 -0.506 9.399 1.00 0.00 C ATOM 1843 CD1 ILE A 123 8.027 0.398 9.552 1.00 0.00 C ATOM 0 H ILE A 123 10.361 1.604 6.017 1.00 0.00 H new ATOM 0 HA ILE A 123 11.523 2.195 8.637 1.00 0.00 H new ATOM 0 HB ILE A 123 10.054 -0.171 7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.400 2.033 9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.583 1.677 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.018 -1.189 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.664 -1.078 9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.132 0.070 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.199 1.043 9.848 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.654 -0.399 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.483 -0.037 10.441 1.00 0.00 H new ATOM 1855 N GLU A 124 13.033 0.414 6.341 1.00 0.00 N ATOM 1856 CA GLU A 124 14.155 -0.409 5.880 1.00 0.00 C ATOM 1857 C GLU A 124 14.178 -1.836 6.456 1.00 0.00 C ATOM 1858 O GLU A 124 13.600 -2.111 7.517 1.00 0.00 O ATOM 1859 CB GLU A 124 15.502 0.323 6.054 1.00 0.00 C ATOM 1860 CG GLU A 124 15.714 1.314 4.906 1.00 0.00 C ATOM 1861 CD GLU A 124 17.120 1.887 4.783 1.00 0.00 C ATOM 1862 OE1 GLU A 124 18.064 1.433 5.461 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.292 2.770 3.908 1.00 0.00 O ATOM 0 H GLU A 124 12.428 0.687 5.566 1.00 0.00 H new ATOM 0 HA GLU A 124 13.992 -0.554 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.518 0.850 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 124 16.318 -0.400 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.460 0.817 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.014 2.140 5.029 1.00 0.00 H new ATOM 1870 N PRO A 125 14.830 -2.774 5.738 1.00 0.00 N ATOM 1871 CA PRO A 125 15.083 -4.117 6.228 1.00 0.00 C ATOM 1872 C PRO A 125 16.222 -4.062 7.255 1.00 0.00 C ATOM 1873 O PRO A 125 16.682 -2.987 7.642 1.00 0.00 O ATOM 1874 CB PRO A 125 15.446 -4.923 4.980 1.00 0.00 C ATOM 1875 CG PRO A 125 16.252 -3.907 4.181 1.00 0.00 C ATOM 1876 CD PRO A 125 15.548 -2.590 4.477 1.00 0.00 C ATOM 0 HA PRO A 125 14.235 -4.574 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.031 -5.811 5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.562 -5.261 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.295 -3.885 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.245 -4.136 3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.268 -1.775 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.859 -2.330 3.673 1.00 0.00 H new