USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=27 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 51 THR OG1 : rot 2:sc= 0.599 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -179:sc= 0.748 (180deg=0.751) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 14 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.548 K(o=-0.55,f=-2.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 23 GLN : amide:sc= -0.835 K(o=-0.83,f=-7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.302 K(o=0.3,f=-0.39) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00557 K(o=-0.0056,f=-3.6) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0.876 (180deg=0.865) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0108) USER MOD Single : A 50 SER OG : rot 33:sc= 0.0116 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc=-0.00154 (180deg=-0.0437) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0309 (180deg=-0.196) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= -0.0347 (180deg=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.036 F(o=-0.59,f=-0.036) USER MOD Single : A 75 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -120:sc= 0.0826 USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.109 (180deg=-0.71) USER MOD Single : A 86 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.12) USER MOD Single : A 87 SER OG : rot -93:sc= 0.136 USER MOD Single : A 97 ASN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0023) USER MOD Single : A 117 ASN : amide:sc= 0.191 K(o=0.19,f=-0.33) USER MOD Single : A 118 SER OG : rot -38:sc= 0.24 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.560 8.062 -8.354 1.00 0.00 N ATOM 60 CA GLY A 7 -2.917 9.330 -8.043 1.00 0.00 C ATOM 61 C GLY A 7 -1.401 9.161 -8.114 1.00 0.00 C ATOM 62 O GLY A 7 -0.905 8.064 -8.379 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.242 10.097 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.210 9.665 -7.048 1.00 0.00 H new ATOM 66 N SER A 8 -0.643 10.236 -7.907 1.00 0.00 N ATOM 67 CA SER A 8 0.817 10.166 -7.810 1.00 0.00 C ATOM 68 C SER A 8 1.266 9.574 -6.463 1.00 0.00 C ATOM 69 O SER A 8 0.442 9.095 -5.677 1.00 0.00 O ATOM 70 CB SER A 8 1.402 11.556 -8.057 1.00 0.00 C ATOM 71 OG SER A 8 1.262 11.895 -9.424 1.00 0.00 O ATOM 0 H SER A 8 -1.020 11.178 -7.802 1.00 0.00 H new ATOM 0 HA SER A 8 1.197 9.490 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.892 12.292 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.454 11.574 -7.774 1.00 0.00 H new ATOM 0 HG SER A 8 1.636 12.787 -9.580 1.00 0.00 H new ATOM 77 N ALA A 9 2.577 9.584 -6.203 1.00 0.00 N ATOM 78 CA ALA A 9 3.172 9.083 -4.981 1.00 0.00 C ATOM 79 C ALA A 9 2.783 9.911 -3.766 1.00 0.00 C ATOM 80 O ALA A 9 1.923 9.463 -3.012 1.00 0.00 O ATOM 81 CB ALA A 9 4.681 8.920 -5.136 1.00 0.00 C ATOM 0 H ALA A 9 3.264 9.953 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 9 2.763 8.090 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.104 8.543 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.890 8.216 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.129 9.885 -5.373 1.00 0.00 H new ATOM 87 N LYS A 10 3.398 11.081 -3.543 1.00 0.00 N ATOM 88 CA LYS A 10 3.118 11.968 -2.399 1.00 0.00 C ATOM 89 C LYS A 10 1.625 12.180 -2.255 1.00 0.00 C ATOM 90 O LYS A 10 1.176 12.287 -1.119 1.00 0.00 O ATOM 91 CB LYS A 10 3.817 13.339 -2.555 1.00 0.00 C ATOM 92 CG LYS A 10 4.973 13.603 -1.574 1.00 0.00 C ATOM 93 CD LYS A 10 4.645 14.644 -0.486 1.00 0.00 C ATOM 94 CE LYS A 10 3.752 14.082 0.625 1.00 0.00 C ATOM 95 NZ LYS A 10 3.358 15.122 1.603 1.00 0.00 N ATOM 0 H LYS A 10 4.119 11.447 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 10 3.511 11.483 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.200 13.419 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.071 14.125 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.250 12.665 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.843 13.942 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.574 15.010 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.150 15.499 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.857 13.643 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.279 13.280 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.755 14.698 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.210 15.524 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.832 15.876 1.116 1.00 0.00 H new ATOM 109 N ASN A 11 0.871 12.202 -3.353 1.00 0.00 N ATOM 110 CA ASN A 11 -0.578 12.311 -3.352 1.00 0.00 C ATOM 111 C ASN A 11 -1.224 11.356 -2.344 1.00 0.00 C ATOM 112 O ASN A 11 -2.019 11.807 -1.527 1.00 0.00 O ATOM 113 CB ASN A 11 -1.108 12.102 -4.775 1.00 0.00 C ATOM 114 CG ASN A 11 -2.602 12.348 -4.954 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.180 11.809 -5.893 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.227 13.234 -4.201 1.00 0.00 N ATOM 0 H ASN A 11 1.267 12.143 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.854 13.314 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.564 12.764 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.885 11.080 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.198 13.476 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.739 13.677 -3.423 1.00 0.00 H new ATOM 123 N ALA A 12 -0.857 10.072 -2.356 1.00 0.00 N ATOM 124 CA ALA A 12 -1.416 9.070 -1.458 1.00 0.00 C ATOM 125 C ALA A 12 -1.011 9.323 0.003 1.00 0.00 C ATOM 126 O ALA A 12 -1.874 9.498 0.861 1.00 0.00 O ATOM 127 CB ALA A 12 -0.994 7.678 -1.933 1.00 0.00 C ATOM 0 H ALA A 12 -0.156 9.700 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.504 9.138 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.410 6.924 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.365 7.511 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.094 7.606 -1.929 1.00 0.00 H new ATOM 133 N TYR A 13 0.290 9.396 0.302 1.00 0.00 N ATOM 134 CA TYR A 13 0.820 9.653 1.646 1.00 0.00 C ATOM 135 C TYR A 13 0.242 10.924 2.259 1.00 0.00 C ATOM 136 O TYR A 13 -0.013 10.961 3.461 1.00 0.00 O ATOM 137 CB TYR A 13 2.335 9.803 1.560 1.00 0.00 C ATOM 138 CG TYR A 13 3.029 10.200 2.841 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.465 9.216 3.742 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.301 11.554 3.091 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.227 9.586 4.865 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.080 11.927 4.194 1.00 0.00 C ATOM 143 CZ TYR A 13 4.556 10.944 5.086 1.00 0.00 C ATOM 144 OH TYR A 13 5.325 11.304 6.150 1.00 0.00 O ATOM 0 H TYR A 13 1.021 9.275 -0.399 1.00 0.00 H new ATOM 0 HA TYR A 13 0.538 8.812 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.756 8.857 1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.565 10.548 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.216 8.179 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.908 12.312 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.562 8.831 5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.316 12.968 4.361 1.00 0.00 H new ATOM 0 HH TYR A 13 5.453 12.276 6.147 1.00 0.00 H new ATOM 154 N THR A 14 0.054 11.960 1.439 1.00 0.00 N ATOM 155 CA THR A 14 -0.506 13.227 1.869 1.00 0.00 C ATOM 156 C THR A 14 -1.817 12.956 2.614 1.00 0.00 C ATOM 157 O THR A 14 -2.039 13.496 3.698 1.00 0.00 O ATOM 158 CB THR A 14 -0.725 14.137 0.650 1.00 0.00 C ATOM 159 OG1 THR A 14 0.520 14.470 0.067 1.00 0.00 O ATOM 160 CG2 THR A 14 -1.449 15.435 0.976 1.00 0.00 C ATOM 0 H THR A 14 0.292 11.935 0.447 1.00 0.00 H new ATOM 0 HA THR A 14 0.179 13.740 2.544 1.00 0.00 H new ATOM 0 HB THR A 14 -1.353 13.567 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.841 13.717 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.567 16.024 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.431 15.209 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.869 16.003 1.703 1.00 0.00 H new ATOM 168 N LYS A 15 -2.681 12.130 2.019 1.00 0.00 N ATOM 169 CA LYS A 15 -4.004 11.826 2.529 1.00 0.00 C ATOM 170 C LYS A 15 -3.905 11.122 3.869 1.00 0.00 C ATOM 171 O LYS A 15 -4.491 11.609 4.827 1.00 0.00 O ATOM 172 CB LYS A 15 -4.804 11.030 1.493 1.00 0.00 C ATOM 173 CG LYS A 15 -4.953 11.797 0.167 1.00 0.00 C ATOM 174 CD LYS A 15 -5.924 12.973 0.268 1.00 0.00 C ATOM 175 CE LYS A 15 -5.728 13.911 -0.921 1.00 0.00 C ATOM 176 NZ LYS A 15 -6.749 14.972 -0.907 1.00 0.00 N ATOM 0 H LYS A 15 -2.466 11.646 1.147 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.550 12.754 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.309 10.077 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.792 10.803 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.976 12.165 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.299 11.112 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.951 12.608 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.759 13.513 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.733 14.354 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.792 13.348 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.605 15.603 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.695 14.544 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.669 15.519 -0.026 1.00 0.00 H new ATOM 190 N LEU A 16 -3.094 10.066 3.988 1.00 0.00 N ATOM 191 CA LEU A 16 -2.875 9.371 5.257 1.00 0.00 C ATOM 192 C LEU A 16 -2.563 10.341 6.398 1.00 0.00 C ATOM 193 O LEU A 16 -2.934 10.067 7.535 1.00 0.00 O ATOM 194 CB LEU A 16 -1.698 8.397 5.140 1.00 0.00 C ATOM 195 CG LEU A 16 -1.976 7.001 4.585 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.746 6.981 3.271 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.623 6.299 4.393 1.00 0.00 C ATOM 0 H LEU A 16 -2.572 9.670 3.206 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.800 8.839 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.941 8.863 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.260 8.281 6.131 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.617 6.490 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.897 5.949 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.714 7.464 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.179 7.516 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.786 5.297 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.012 6.871 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.109 6.231 5.352 1.00 0.00 H new ATOM 209 N GLY A 17 -1.873 11.448 6.119 1.00 0.00 N ATOM 210 CA GLY A 17 -1.475 12.404 7.135 1.00 0.00 C ATOM 211 C GLY A 17 -2.479 13.518 7.419 1.00 0.00 C ATOM 212 O GLY A 17 -2.149 14.408 8.201 1.00 0.00 O ATOM 0 H GLY A 17 -1.577 11.701 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.286 11.864 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.531 12.858 6.832 1.00 0.00 H new ATOM 216 N THR A 18 -3.671 13.489 6.828 1.00 0.00 N ATOM 217 CA THR A 18 -4.788 14.394 7.113 1.00 0.00 C ATOM 218 C THR A 18 -6.059 13.610 7.451 1.00 0.00 C ATOM 219 O THR A 18 -7.005 14.164 8.017 1.00 0.00 O ATOM 220 CB THR A 18 -4.966 15.334 5.906 1.00 0.00 C ATOM 221 OG1 THR A 18 -5.976 16.309 6.090 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.216 14.628 4.576 1.00 0.00 C ATOM 0 H THR A 18 -3.897 12.805 6.106 1.00 0.00 H new ATOM 0 HA THR A 18 -4.574 14.998 7.995 1.00 0.00 H new ATOM 0 HB THR A 18 -3.994 15.824 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.036 16.872 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.329 15.370 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.372 13.977 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.126 14.032 4.646 1.00 0.00 H new ATOM 230 N ASP A 19 -6.067 12.325 7.105 1.00 0.00 N ATOM 231 CA ASP A 19 -7.182 11.406 7.176 1.00 0.00 C ATOM 232 C ASP A 19 -6.818 10.351 8.205 1.00 0.00 C ATOM 233 O ASP A 19 -6.223 9.323 7.885 1.00 0.00 O ATOM 234 CB ASP A 19 -7.419 10.763 5.804 1.00 0.00 C ATOM 235 CG ASP A 19 -8.022 11.731 4.791 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.057 12.360 5.115 1.00 0.00 O ATOM 237 OD2 ASP A 19 -7.515 11.863 3.656 1.00 0.00 O ATOM 0 H ASP A 19 -5.228 11.873 6.742 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.100 11.920 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.473 10.384 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.083 9.906 5.920 1.00 0.00 H new ATOM 242 N ASP A 20 -7.181 10.592 9.460 1.00 0.00 N ATOM 243 CA ASP A 20 -6.911 9.683 10.573 1.00 0.00 C ATOM 244 C ASP A 20 -7.650 8.350 10.381 1.00 0.00 C ATOM 245 O ASP A 20 -7.306 7.346 11.015 1.00 0.00 O ATOM 246 CB ASP A 20 -7.300 10.350 11.903 1.00 0.00 C ATOM 247 CG ASP A 20 -6.356 11.496 12.266 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.250 11.202 12.773 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.694 12.670 12.000 1.00 0.00 O ATOM 0 H ASP A 20 -7.679 11.437 9.739 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.843 9.465 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.320 10.728 11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.289 9.605 12.699 1.00 0.00 H new ATOM 254 N ASN A 21 -8.647 8.320 9.490 1.00 0.00 N ATOM 255 CA ASN A 21 -9.414 7.140 9.109 1.00 0.00 C ATOM 256 C ASN A 21 -8.789 6.397 7.924 1.00 0.00 C ATOM 257 O ASN A 21 -9.172 5.249 7.689 1.00 0.00 O ATOM 258 CB ASN A 21 -10.851 7.540 8.738 1.00 0.00 C ATOM 259 CG ASN A 21 -11.619 8.143 9.906 1.00 0.00 C ATOM 260 OD1 ASN A 21 -11.640 7.599 11.009 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.260 9.282 9.699 1.00 0.00 N ATOM 0 H ASN A 21 -8.951 9.158 8.995 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.413 6.472 9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.823 8.259 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.384 6.662 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.780 9.720 10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.234 9.722 8.779 1.00 0.00 H new ATOM 268 N ALA A 22 -7.876 7.011 7.157 1.00 0.00 N ATOM 269 CA ALA A 22 -7.295 6.403 5.959 1.00 0.00 C ATOM 270 C ALA A 22 -6.383 5.238 6.354 1.00 0.00 C ATOM 271 O ALA A 22 -6.010 5.105 7.524 1.00 0.00 O ATOM 272 CB ALA A 22 -6.505 7.443 5.162 1.00 0.00 C ATOM 0 H ALA A 22 -7.521 7.947 7.354 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.102 6.025 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.079 6.975 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.170 8.253 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.702 7.843 5.781 1.00 0.00 H new ATOM 278 N GLN A 23 -5.955 4.422 5.390 1.00 0.00 N ATOM 279 CA GLN A 23 -5.057 3.293 5.616 1.00 0.00 C ATOM 280 C GLN A 23 -4.112 3.044 4.444 1.00 0.00 C ATOM 281 O GLN A 23 -4.243 3.661 3.388 1.00 0.00 O ATOM 282 CB GLN A 23 -5.882 2.026 5.891 1.00 0.00 C ATOM 283 CG GLN A 23 -6.037 1.736 7.390 1.00 0.00 C ATOM 284 CD GLN A 23 -4.746 1.275 8.065 1.00 0.00 C ATOM 285 OE1 GLN A 23 -3.644 1.463 7.554 1.00 0.00 O ATOM 286 NE2 GLN A 23 -4.861 0.695 9.246 1.00 0.00 N ATOM 0 H GLN A 23 -6.229 4.531 4.413 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.439 3.542 6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.869 2.135 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.404 1.174 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.396 2.636 7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.801 0.970 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.784 0.548 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.027 0.395 9.750 1.00 0.00 H new ATOM 295 N LEU A 24 -3.195 2.086 4.626 1.00 0.00 N ATOM 296 CA LEU A 24 -2.251 1.620 3.621 1.00 0.00 C ATOM 297 C LEU A 24 -2.332 0.094 3.524 1.00 0.00 C ATOM 298 O LEU A 24 -2.209 -0.585 4.548 1.00 0.00 O ATOM 299 CB LEU A 24 -0.855 2.117 4.016 1.00 0.00 C ATOM 300 CG LEU A 24 0.233 2.103 2.932 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.502 0.753 2.262 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.049 3.152 1.864 1.00 0.00 C ATOM 0 H LEU A 24 -3.092 1.599 5.516 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.484 2.014 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.952 3.139 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.506 1.511 4.852 1.00 0.00 H new ATOM 0 HG LEU A 24 1.145 2.337 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.288 0.867 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.818 0.030 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.408 0.399 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.736 3.122 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.012 2.945 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.073 4.141 2.322 1.00 0.00 H new ATOM 314 N LEU A 25 -2.566 -0.431 2.316 1.00 0.00 N ATOM 315 CA LEU A 25 -2.578 -1.869 2.013 1.00 0.00 C ATOM 316 C LEU A 25 -1.398 -2.173 1.113 1.00 0.00 C ATOM 317 O LEU A 25 -1.417 -1.912 -0.087 1.00 0.00 O ATOM 318 CB LEU A 25 -3.902 -2.369 1.389 1.00 0.00 C ATOM 319 CG LEU A 25 -4.402 -3.752 1.849 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.679 -4.911 1.174 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.299 -3.971 3.351 1.00 0.00 C ATOM 0 H LEU A 25 -2.758 0.148 1.498 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.496 -2.410 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.679 -1.636 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.780 -2.393 0.306 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.451 -3.743 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.080 -5.855 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.825 -4.852 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.614 -4.856 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.669 -4.966 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.258 -3.883 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.896 -3.221 3.870 1.00 0.00 H new ATOM 333 N ASP A 26 -0.333 -2.646 1.729 1.00 0.00 N ATOM 334 CA ASP A 26 0.881 -3.036 1.053 1.00 0.00 C ATOM 335 C ASP A 26 0.638 -4.394 0.406 1.00 0.00 C ATOM 336 O ASP A 26 0.521 -5.408 1.109 1.00 0.00 O ATOM 337 CB ASP A 26 2.011 -3.059 2.078 1.00 0.00 C ATOM 338 CG ASP A 26 3.326 -2.935 1.348 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.506 -3.607 0.314 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.139 -2.098 1.798 1.00 0.00 O ATOM 0 H ASP A 26 -0.290 -2.772 2.740 1.00 0.00 H new ATOM 0 HA ASP A 26 1.167 -2.337 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.894 -2.241 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.983 -3.985 2.652 1.00 0.00 H new ATOM 345 N ILE A 27 0.454 -4.398 -0.918 1.00 0.00 N ATOM 346 CA ILE A 27 0.250 -5.616 -1.693 1.00 0.00 C ATOM 347 C ILE A 27 1.565 -6.152 -2.270 1.00 0.00 C ATOM 348 O ILE A 27 1.532 -7.102 -3.068 1.00 0.00 O ATOM 349 CB ILE A 27 -0.867 -5.482 -2.752 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.543 -4.484 -3.878 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.204 -5.175 -2.059 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.524 -4.560 -5.058 1.00 0.00 C ATOM 0 H ILE A 27 0.443 -3.548 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.112 -6.370 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.947 -6.442 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.552 -3.473 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.467 -4.672 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.989 -5.081 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.452 -5.985 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.120 -4.241 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.238 -3.831 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.498 -5.561 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.533 -4.342 -4.707 1.00 0.00 H new ATOM 364 N ARG A 28 2.716 -5.564 -1.922 1.00 0.00 N ATOM 365 CA ARG A 28 3.983 -6.066 -2.427 1.00 0.00 C ATOM 366 C ARG A 28 4.244 -7.459 -1.859 1.00 0.00 C ATOM 367 O ARG A 28 3.699 -7.864 -0.827 1.00 0.00 O ATOM 368 CB ARG A 28 5.136 -5.083 -2.156 1.00 0.00 C ATOM 369 CG ARG A 28 4.876 -3.732 -2.848 1.00 0.00 C ATOM 370 CD ARG A 28 6.117 -2.818 -2.945 1.00 0.00 C ATOM 371 NE ARG A 28 6.753 -2.606 -1.646 1.00 0.00 N ATOM 372 CZ ARG A 28 6.143 -2.054 -0.601 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.072 -1.291 -0.763 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.555 -2.283 0.629 1.00 0.00 N ATOM 0 H ARG A 28 2.789 -4.756 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 28 3.925 -6.153 -3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.246 -4.932 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.074 -5.507 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.498 -3.919 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.092 -3.204 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.838 -3.260 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.825 -1.856 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 28 7.724 -2.899 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.704 -1.120 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.615 -0.875 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.356 -2.893 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.073 -1.850 1.417 1.00 0.00 H new ATOM 388 N ALA A 29 5.058 -8.203 -2.601 1.00 0.00 N ATOM 389 CA ALA A 29 5.360 -9.605 -2.413 1.00 0.00 C ATOM 390 C ALA A 29 5.895 -9.855 -1.007 1.00 0.00 C ATOM 391 O ALA A 29 6.495 -8.977 -0.394 1.00 0.00 O ATOM 392 CB ALA A 29 6.381 -9.993 -3.481 1.00 0.00 C ATOM 0 H ALA A 29 5.554 -7.810 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 29 4.463 -10.215 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.637 -11.047 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.956 -9.821 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.280 -9.388 -3.362 1.00 0.00 H new ATOM 398 N THR A 30 5.744 -11.074 -0.490 1.00 0.00 N ATOM 399 CA THR A 30 6.243 -11.370 0.849 1.00 0.00 C ATOM 400 C THR A 30 7.764 -11.164 0.920 1.00 0.00 C ATOM 401 O THR A 30 8.276 -10.725 1.955 1.00 0.00 O ATOM 402 CB THR A 30 5.837 -12.787 1.278 1.00 0.00 C ATOM 403 OG1 THR A 30 4.422 -12.893 1.327 1.00 0.00 O ATOM 404 CG2 THR A 30 6.402 -13.108 2.665 1.00 0.00 C ATOM 0 H THR A 30 5.291 -11.855 -0.966 1.00 0.00 H new ATOM 0 HA THR A 30 5.787 -10.673 1.553 1.00 0.00 H new ATOM 0 HB THR A 30 6.238 -13.492 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.171 -13.800 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.105 -14.116 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.490 -13.044 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.014 -12.393 3.390 1.00 0.00 H new ATOM 412 N ALA A 31 8.492 -11.477 -0.156 1.00 0.00 N ATOM 413 CA ALA A 31 9.927 -11.264 -0.208 1.00 0.00 C ATOM 414 C ALA A 31 10.281 -9.782 -0.290 1.00 0.00 C ATOM 415 O ALA A 31 11.418 -9.413 -0.006 1.00 0.00 O ATOM 416 CB ALA A 31 10.532 -11.982 -1.403 1.00 0.00 C ATOM 0 H ALA A 31 8.099 -11.882 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 31 10.339 -11.669 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.608 -11.810 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.337 -13.051 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.085 -11.600 -2.321 1.00 0.00 H new ATOM 422 N ASP A 32 9.343 -8.923 -0.684 1.00 0.00 N ATOM 423 CA ASP A 32 9.606 -7.506 -0.840 1.00 0.00 C ATOM 424 C ASP A 32 9.913 -6.879 0.519 1.00 0.00 C ATOM 425 O ASP A 32 10.829 -6.072 0.631 1.00 0.00 O ATOM 426 CB ASP A 32 8.466 -6.822 -1.589 1.00 0.00 C ATOM 427 CG ASP A 32 9.019 -5.598 -2.287 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.622 -5.824 -3.362 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.848 -4.485 -1.742 1.00 0.00 O ATOM 0 H ASP A 32 8.384 -9.195 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 32 10.493 -7.361 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.025 -7.506 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.674 -6.538 -0.896 1.00 0.00 H new ATOM 434 N PHE A 33 9.288 -7.369 1.596 1.00 0.00 N ATOM 435 CA PHE A 33 9.605 -6.982 2.976 1.00 0.00 C ATOM 436 C PHE A 33 10.948 -7.543 3.470 1.00 0.00 C ATOM 437 O PHE A 33 11.296 -7.379 4.643 1.00 0.00 O ATOM 438 CB PHE A 33 8.479 -7.450 3.905 1.00 0.00 C ATOM 439 CG PHE A 33 7.076 -7.082 3.447 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.624 -5.752 3.534 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.257 -8.054 2.844 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.381 -5.388 2.982 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.022 -7.692 2.280 1.00 0.00 C ATOM 444 CZ PHE A 33 4.594 -6.355 2.332 1.00 0.00 C ATOM 0 H PHE A 33 8.537 -8.056 1.532 1.00 0.00 H new ATOM 0 HA PHE A 33 9.694 -5.896 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.539 -8.533 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.645 -7.026 4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.233 -5.008 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.579 -9.084 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.033 -4.368 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.403 -8.440 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.659 -6.070 1.872 1.00 0.00 H new ATOM 454 N ARG A 34 11.693 -8.247 2.615 1.00 0.00 N ATOM 455 CA ARG A 34 12.987 -8.856 2.913 1.00 0.00 C ATOM 456 C ARG A 34 14.101 -8.347 2.005 1.00 0.00 C ATOM 457 O ARG A 34 15.269 -8.476 2.378 1.00 0.00 O ATOM 458 CB ARG A 34 12.904 -10.370 2.713 1.00 0.00 C ATOM 459 CG ARG A 34 11.605 -11.033 3.199 1.00 0.00 C ATOM 460 CD ARG A 34 11.694 -12.519 2.886 1.00 0.00 C ATOM 461 NE ARG A 34 10.474 -13.280 3.185 1.00 0.00 N ATOM 462 CZ ARG A 34 10.310 -14.572 2.863 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.282 -15.232 2.238 1.00 0.00 N ATOM 464 NH2 ARG A 34 9.175 -15.202 3.150 1.00 0.00 N ATOM 0 H ARG A 34 11.396 -8.414 1.654 1.00 0.00 H new ATOM 0 HA ARG A 34 13.219 -8.591 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.026 -10.586 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.744 -10.834 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.474 -10.876 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.741 -10.590 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.933 -12.641 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.522 -12.947 3.451 1.00 0.00 H new ATOM 0 HE ARG A 34 9.711 -12.801 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.153 -14.756 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.156 -16.214 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.419 -14.703 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.060 -16.184 2.901 1.00 0.00 H new ATOM 478 N GLN A 35 13.751 -7.820 0.831 1.00 0.00 N ATOM 479 CA GLN A 35 14.690 -7.268 -0.137 1.00 0.00 C ATOM 480 C GLN A 35 14.587 -5.737 -0.223 1.00 0.00 C ATOM 481 O GLN A 35 15.617 -5.087 -0.394 1.00 0.00 O ATOM 482 CB GLN A 35 14.517 -7.978 -1.493 1.00 0.00 C ATOM 483 CG GLN A 35 13.312 -7.427 -2.262 1.00 0.00 C ATOM 484 CD GLN A 35 12.817 -8.264 -3.433 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.327 -9.339 -3.753 1.00 0.00 O ATOM 486 NE2 GLN A 35 11.785 -7.786 -4.108 1.00 0.00 N ATOM 0 H GLN A 35 12.780 -7.765 0.522 1.00 0.00 H new ATOM 0 HA GLN A 35 15.709 -7.461 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.420 -7.851 -2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.389 -9.048 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.488 -7.300 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.569 -6.436 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.367 -6.895 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.407 -8.308 -4.899 1.00 0.00 H new ATOM 495 N VAL A 36 13.387 -5.166 -0.059 1.00 0.00 N ATOM 496 CA VAL A 36 13.133 -3.731 -0.041 1.00 0.00 C ATOM 497 C VAL A 36 12.940 -3.327 1.427 1.00 0.00 C ATOM 498 O VAL A 36 13.851 -2.777 2.040 1.00 0.00 O ATOM 499 CB VAL A 36 11.951 -3.347 -0.972 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.868 -1.822 -1.131 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.092 -3.948 -2.377 1.00 0.00 C ATOM 0 H VAL A 36 12.538 -5.717 0.069 1.00 0.00 H new ATOM 0 HA VAL A 36 13.975 -3.171 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 36 11.053 -3.745 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.035 -1.569 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.714 -1.362 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.796 -1.450 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.240 -3.649 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.012 -3.587 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.124 -5.035 -2.306 1.00 0.00 H new ATOM 511 N GLY A 37 11.805 -3.649 2.053 1.00 0.00 N ATOM 512 CA GLY A 37 11.423 -3.157 3.374 1.00 0.00 C ATOM 513 C GLY A 37 9.932 -2.855 3.357 1.00 0.00 C ATOM 514 O GLY A 37 9.195 -3.606 2.730 1.00 0.00 O ATOM 0 H GLY A 37 11.111 -4.274 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.651 -3.901 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.990 -2.260 3.624 1.00 0.00 H new ATOM 518 N SER A 38 9.446 -1.847 4.080 1.00 0.00 N ATOM 519 CA SER A 38 8.039 -1.424 3.999 1.00 0.00 C ATOM 520 C SER A 38 7.906 0.084 4.251 1.00 0.00 C ATOM 521 O SER A 38 8.799 0.658 4.867 1.00 0.00 O ATOM 522 CB SER A 38 7.155 -2.220 4.983 1.00 0.00 C ATOM 523 OG SER A 38 7.879 -3.042 5.884 1.00 0.00 O ATOM 0 H SER A 38 10.007 -1.301 4.735 1.00 0.00 H new ATOM 0 HA SER A 38 7.689 -1.636 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.548 -1.519 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.468 -2.844 4.412 1.00 0.00 H new ATOM 0 HG SER A 38 7.253 -3.511 6.474 1.00 0.00 H new ATOM 529 N PRO A 39 6.795 0.728 3.858 1.00 0.00 N ATOM 530 CA PRO A 39 6.569 2.159 4.042 1.00 0.00 C ATOM 531 C PRO A 39 6.313 2.501 5.515 1.00 0.00 C ATOM 532 O PRO A 39 5.508 1.842 6.184 1.00 0.00 O ATOM 533 CB PRO A 39 5.368 2.465 3.144 1.00 0.00 C ATOM 534 CG PRO A 39 4.576 1.159 3.143 1.00 0.00 C ATOM 535 CD PRO A 39 5.692 0.128 3.125 1.00 0.00 C ATOM 0 HA PRO A 39 7.435 2.764 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.776 3.292 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.681 2.745 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.943 1.063 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.925 1.074 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.372 -0.803 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.986 -0.113 2.103 1.00 0.00 H new ATOM 543 N ASN A 40 6.998 3.524 6.050 1.00 0.00 N ATOM 544 CA ASN A 40 6.839 3.888 7.458 1.00 0.00 C ATOM 545 C ASN A 40 5.834 5.015 7.640 1.00 0.00 C ATOM 546 O ASN A 40 6.189 6.183 7.752 1.00 0.00 O ATOM 547 CB ASN A 40 8.142 4.165 8.211 1.00 0.00 C ATOM 548 CG ASN A 40 7.854 4.344 9.700 1.00 0.00 C ATOM 549 OD1 ASN A 40 6.799 3.925 10.187 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.788 4.903 10.445 1.00 0.00 N ATOM 0 H ASN A 40 7.658 4.105 5.533 1.00 0.00 H new ATOM 0 HA ASN A 40 6.439 2.989 7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.840 3.341 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.618 5.061 7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.649 4.998 11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.649 5.240 10.015 1.00 0.00 H new ATOM 557 N ILE A 41 4.560 4.651 7.667 1.00 0.00 N ATOM 558 CA ILE A 41 3.451 5.564 7.890 1.00 0.00 C ATOM 559 C ILE A 41 3.071 5.687 9.375 1.00 0.00 C ATOM 560 O ILE A 41 2.071 6.331 9.685 1.00 0.00 O ATOM 561 CB ILE A 41 2.265 5.128 7.006 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.750 3.700 7.294 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.658 5.277 5.524 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.217 3.654 7.253 1.00 0.00 C ATOM 0 H ILE A 41 4.262 3.685 7.530 1.00 0.00 H new ATOM 0 HA ILE A 41 3.757 6.569 7.601 1.00 0.00 H new ATOM 0 HB ILE A 41 1.431 5.786 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.159 3.006 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.102 3.372 8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.823 4.970 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.906 6.318 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.523 4.649 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.122 2.639 7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.188 4.331 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.130 3.959 6.266 1.00 0.00 H new ATOM 576 N LYS A 42 3.828 5.091 10.307 1.00 0.00 N ATOM 577 CA LYS A 42 3.419 5.000 11.710 1.00 0.00 C ATOM 578 C LYS A 42 3.187 6.377 12.319 1.00 0.00 C ATOM 579 O LYS A 42 2.229 6.534 13.068 1.00 0.00 O ATOM 580 CB LYS A 42 4.407 4.147 12.521 1.00 0.00 C ATOM 581 CG LYS A 42 3.770 3.322 13.657 1.00 0.00 C ATOM 582 CD LYS A 42 3.016 4.057 14.781 1.00 0.00 C ATOM 583 CE LYS A 42 3.772 5.215 15.452 1.00 0.00 C ATOM 584 NZ LYS A 42 5.034 4.789 16.085 1.00 0.00 N ATOM 0 H LYS A 42 4.732 4.663 10.109 1.00 0.00 H new ATOM 0 HA LYS A 42 2.458 4.487 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.921 3.467 11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.165 4.803 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.075 2.616 13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.562 2.735 14.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.084 4.446 14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.749 3.330 15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.986 5.982 14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.130 5.672 16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.499 5.611 16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.833 4.078 16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.662 4.377 15.365 1.00 0.00 H new ATOM 598 N GLY A 43 4.011 7.374 11.991 1.00 0.00 N ATOM 599 CA GLY A 43 3.835 8.722 12.517 1.00 0.00 C ATOM 600 C GLY A 43 2.530 9.382 12.068 1.00 0.00 C ATOM 601 O GLY A 43 2.089 10.336 12.695 1.00 0.00 O ATOM 0 H GLY A 43 4.807 7.269 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.859 8.685 13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.675 9.341 12.200 1.00 0.00 H new ATOM 605 N LEU A 44 1.886 8.871 11.014 1.00 0.00 N ATOM 606 CA LEU A 44 0.590 9.348 10.551 1.00 0.00 C ATOM 607 C LEU A 44 -0.541 8.763 11.408 1.00 0.00 C ATOM 608 O LEU A 44 -1.681 9.220 11.285 1.00 0.00 O ATOM 609 CB LEU A 44 0.378 8.987 9.063 1.00 0.00 C ATOM 610 CG LEU A 44 1.577 9.263 8.130 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.294 8.748 6.715 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.935 10.750 8.055 1.00 0.00 C ATOM 0 H LEU A 44 2.260 8.104 10.455 1.00 0.00 H new ATOM 0 HA LEU A 44 0.572 10.433 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.126 7.929 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.483 9.543 8.692 1.00 0.00 H new ATOM 0 HG LEU A 44 2.426 8.731 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.152 8.953 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.115 7.673 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.414 9.251 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.784 10.886 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.081 11.311 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.195 11.112 9.050 1.00 0.00 H new ATOM 624 N GLY A 45 -0.275 7.743 12.238 1.00 0.00 N ATOM 625 CA GLY A 45 -1.229 7.164 13.181 1.00 0.00 C ATOM 626 C GLY A 45 -1.093 5.658 13.397 1.00 0.00 C ATOM 627 O GLY A 45 -1.556 5.142 14.416 1.00 0.00 O ATOM 0 H GLY A 45 0.638 7.289 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.116 7.665 14.142 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.239 7.375 12.828 1.00 0.00 H new ATOM 631 N LYS A 46 -0.538 4.916 12.430 1.00 0.00 N ATOM 632 CA LYS A 46 -0.502 3.450 12.459 1.00 0.00 C ATOM 633 C LYS A 46 0.373 2.894 11.356 1.00 0.00 C ATOM 634 O LYS A 46 0.748 3.615 10.437 1.00 0.00 O ATOM 635 CB LYS A 46 -1.906 2.838 12.333 1.00 0.00 C ATOM 636 CG LYS A 46 -2.942 3.548 11.455 1.00 0.00 C ATOM 637 CD LYS A 46 -2.502 3.793 10.008 1.00 0.00 C ATOM 638 CE LYS A 46 -3.688 4.261 9.164 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.213 5.589 9.544 1.00 0.00 N ATOM 0 H LYS A 46 -0.099 5.319 11.602 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.082 3.177 13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.791 1.823 11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.323 2.758 13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.857 2.955 11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.188 4.507 11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.711 4.543 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.086 2.877 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.387 4.287 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.490 3.528 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.035 5.820 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.501 5.576 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.473 6.307 9.407 1.00 0.00 H new ATOM 653 N LYS A 47 0.733 1.620 11.470 1.00 0.00 N ATOM 654 CA LYS A 47 1.531 0.929 10.470 1.00 0.00 C ATOM 655 C LYS A 47 0.631 0.555 9.296 1.00 0.00 C ATOM 656 O LYS A 47 -0.580 0.389 9.467 1.00 0.00 O ATOM 657 CB LYS A 47 2.144 -0.335 11.099 1.00 0.00 C ATOM 658 CG LYS A 47 3.557 -0.637 10.583 1.00 0.00 C ATOM 659 CD LYS A 47 4.628 0.071 11.432 1.00 0.00 C ATOM 660 CE LYS A 47 5.073 -0.755 12.639 1.00 0.00 C ATOM 661 NZ LYS A 47 5.931 -1.899 12.272 1.00 0.00 N ATOM 0 H LYS A 47 0.476 1.036 12.266 1.00 0.00 H new ATOM 0 HA LYS A 47 2.336 1.572 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.176 -0.216 12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.497 -1.188 10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.730 -1.713 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.643 -0.317 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.495 0.288 10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.236 1.028 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.613 -0.111 13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.192 -1.123 13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.283 -2.360 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.379 -2.582 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.736 -1.562 11.707 1.00 0.00 H new ATOM 675 N ALA A 48 1.234 0.319 8.130 1.00 0.00 N ATOM 676 CA ALA A 48 0.559 -0.300 6.996 1.00 0.00 C ATOM 677 C ALA A 48 0.133 -1.733 7.340 1.00 0.00 C ATOM 678 O ALA A 48 0.668 -2.342 8.273 1.00 0.00 O ATOM 679 CB ALA A 48 1.513 -0.306 5.797 1.00 0.00 C ATOM 0 H ALA A 48 2.210 0.554 7.948 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.338 0.270 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.019 -0.767 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.790 0.718 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.409 -0.874 6.048 1.00 0.00 H new ATOM 685 N VAL A 49 -0.789 -2.296 6.564 1.00 0.00 N ATOM 686 CA VAL A 49 -1.154 -3.711 6.582 1.00 0.00 C ATOM 687 C VAL A 49 -0.441 -4.355 5.389 1.00 0.00 C ATOM 688 O VAL A 49 -0.509 -3.799 4.296 1.00 0.00 O ATOM 689 CB VAL A 49 -2.689 -3.825 6.444 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.142 -5.287 6.296 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.454 -3.198 7.621 1.00 0.00 C ATOM 0 H VAL A 49 -1.323 -1.760 5.880 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.862 -4.209 7.507 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.929 -3.266 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.227 -5.324 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.686 -5.721 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.835 -5.854 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.526 -3.313 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.170 -3.698 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.209 -2.138 7.691 1.00 0.00 H new ATOM 701 N SER A 50 0.195 -5.519 5.561 1.00 0.00 N ATOM 702 CA SER A 50 0.805 -6.266 4.464 1.00 0.00 C ATOM 703 C SER A 50 -0.092 -7.443 4.069 1.00 0.00 C ATOM 704 O SER A 50 -0.457 -8.279 4.908 1.00 0.00 O ATOM 705 CB SER A 50 2.228 -6.702 4.842 1.00 0.00 C ATOM 706 OG SER A 50 2.293 -7.433 6.059 1.00 0.00 O ATOM 0 H SER A 50 0.300 -5.968 6.471 1.00 0.00 H new ATOM 0 HA SER A 50 0.896 -5.625 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.638 -7.313 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.860 -5.818 4.924 1.00 0.00 H new ATOM 0 HG SER A 50 1.477 -7.965 6.165 1.00 0.00 H new ATOM 712 N THR A 51 -0.484 -7.530 2.797 1.00 0.00 N ATOM 713 CA THR A 51 -1.142 -8.692 2.204 1.00 0.00 C ATOM 714 C THR A 51 -0.831 -8.690 0.709 1.00 0.00 C ATOM 715 O THR A 51 -1.462 -7.945 -0.030 1.00 0.00 O ATOM 716 CB THR A 51 -2.665 -8.653 2.448 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.930 -8.616 3.835 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.359 -9.891 1.877 1.00 0.00 C ATOM 0 H THR A 51 -0.347 -6.769 2.132 1.00 0.00 H new ATOM 0 HA THR A 51 -0.771 -9.607 2.666 1.00 0.00 H new ATOM 0 HB THR A 51 -3.047 -7.761 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.084 -8.593 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.430 -9.828 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.184 -9.943 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.957 -10.785 2.353 1.00 0.00 H new ATOM 726 N VAL A 52 0.110 -9.519 0.252 1.00 0.00 N ATOM 727 CA VAL A 52 0.389 -9.656 -1.173 1.00 0.00 C ATOM 728 C VAL A 52 -0.876 -10.090 -1.929 1.00 0.00 C ATOM 729 O VAL A 52 -1.550 -11.055 -1.544 1.00 0.00 O ATOM 730 CB VAL A 52 1.628 -10.540 -1.426 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.725 -11.789 -0.543 1.00 0.00 C ATOM 732 CG2 VAL A 52 1.758 -10.950 -2.895 1.00 0.00 C ATOM 0 H VAL A 52 0.691 -10.105 0.852 1.00 0.00 H new ATOM 0 HA VAL A 52 0.659 -8.683 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 52 2.459 -9.893 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.628 -12.344 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.763 -11.492 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.852 -12.421 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.645 -11.571 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.874 -11.513 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.847 -10.058 -3.515 1.00 0.00 H new ATOM 742 N TYR A 53 -1.207 -9.342 -2.983 1.00 0.00 N ATOM 743 CA TYR A 53 -2.344 -9.607 -3.855 1.00 0.00 C ATOM 744 C TYR A 53 -2.023 -10.734 -4.842 1.00 0.00 C ATOM 745 O TYR A 53 -0.856 -11.005 -5.141 1.00 0.00 O ATOM 746 CB TYR A 53 -2.746 -8.297 -4.558 1.00 0.00 C ATOM 747 CG TYR A 53 -3.900 -8.430 -5.533 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.138 -8.923 -5.087 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.732 -8.100 -6.891 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.184 -9.140 -5.995 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.761 -8.369 -7.812 1.00 0.00 C ATOM 752 CZ TYR A 53 -5.991 -8.897 -7.368 1.00 0.00 C ATOM 753 OH TYR A 53 -6.986 -9.201 -8.240 1.00 0.00 O ATOM 0 H TYR A 53 -0.676 -8.515 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.195 -9.954 -3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.012 -7.560 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.880 -7.907 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.285 -9.136 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.814 -7.641 -7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.140 -9.495 -5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.608 -8.170 -8.863 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.703 -8.975 -9.151 1.00 0.00 H new ATOM 763 N ASN A 54 -3.073 -11.379 -5.361 1.00 0.00 N ATOM 764 CA ASN A 54 -2.983 -12.266 -6.529 1.00 0.00 C ATOM 765 C ASN A 54 -4.150 -11.985 -7.475 1.00 0.00 C ATOM 766 O ASN A 54 -3.980 -11.360 -8.519 1.00 0.00 O ATOM 767 CB ASN A 54 -2.965 -13.755 -6.132 1.00 0.00 C ATOM 768 CG ASN A 54 -1.646 -14.225 -5.545 1.00 0.00 C ATOM 769 OD1 ASN A 54 -0.786 -14.735 -6.256 1.00 0.00 O ATOM 770 ND2 ASN A 54 -1.477 -14.116 -4.241 1.00 0.00 N ATOM 0 H ASN A 54 -4.016 -11.301 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.039 -12.059 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.758 -13.936 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.194 -14.357 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.620 -14.459 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.204 -13.689 -3.667 1.00 0.00 H new ATOM 777 N GLY A 55 -5.345 -12.456 -7.106 1.00 0.00 N ATOM 778 CA GLY A 55 -6.555 -12.353 -7.913 1.00 0.00 C ATOM 779 C GLY A 55 -7.027 -13.698 -8.454 1.00 0.00 C ATOM 780 O GLY A 55 -8.222 -13.848 -8.721 1.00 0.00 O ATOM 0 H GLY A 55 -5.497 -12.930 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.349 -11.911 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.372 -11.676 -8.747 1.00 0.00 H new ATOM 784 N GLU A 56 -6.152 -14.712 -8.504 1.00 0.00 N ATOM 785 CA GLU A 56 -6.527 -16.108 -8.753 1.00 0.00 C ATOM 786 C GLU A 56 -7.706 -16.488 -7.856 1.00 0.00 C ATOM 787 O GLU A 56 -8.652 -17.133 -8.302 1.00 0.00 O ATOM 788 CB GLU A 56 -5.336 -17.042 -8.474 1.00 0.00 C ATOM 789 CG GLU A 56 -5.785 -18.515 -8.482 1.00 0.00 C ATOM 790 CD GLU A 56 -4.626 -19.491 -8.358 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.940 -19.467 -7.312 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.453 -20.341 -9.262 1.00 0.00 O ATOM 0 H GLU A 56 -5.149 -14.582 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.815 -16.216 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.563 -16.888 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.894 -16.797 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.482 -18.681 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.327 -18.719 -9.406 1.00 0.00 H new ATOM 799 N ASP A 57 -7.679 -16.034 -6.605 1.00 0.00 N ATOM 800 CA ASP A 57 -8.742 -16.230 -5.641 1.00 0.00 C ATOM 801 C ASP A 57 -9.045 -14.885 -4.992 1.00 0.00 C ATOM 802 O ASP A 57 -8.324 -14.423 -4.101 1.00 0.00 O ATOM 803 CB ASP A 57 -8.334 -17.306 -4.645 1.00 0.00 C ATOM 804 CG ASP A 57 -9.448 -17.645 -3.670 1.00 0.00 C ATOM 805 OD1 ASP A 57 -10.538 -17.041 -3.709 1.00 0.00 O ATOM 806 OD2 ASP A 57 -9.228 -18.555 -2.842 1.00 0.00 O ATOM 0 H ASP A 57 -6.891 -15.505 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.658 -16.585 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.042 -18.206 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.458 -16.970 -4.089 1.00 0.00 H new ATOM 811 N LYS A 58 -10.082 -14.225 -5.512 1.00 0.00 N ATOM 812 CA LYS A 58 -10.592 -12.940 -5.046 1.00 0.00 C ATOM 813 C LYS A 58 -10.894 -12.940 -3.532 1.00 0.00 C ATOM 814 O LYS A 58 -10.241 -12.177 -2.808 1.00 0.00 O ATOM 815 CB LYS A 58 -11.781 -12.490 -5.924 1.00 0.00 C ATOM 816 CG LYS A 58 -11.427 -11.828 -7.273 1.00 0.00 C ATOM 817 CD LYS A 58 -11.075 -10.335 -7.161 1.00 0.00 C ATOM 818 CE LYS A 58 -10.895 -9.625 -8.518 1.00 0.00 C ATOM 819 NZ LYS A 58 -12.114 -9.628 -9.364 1.00 0.00 N ATOM 0 H LYS A 58 -10.610 -14.590 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.809 -12.191 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.406 -13.360 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.385 -11.789 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.584 -12.358 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.270 -11.942 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.861 -9.829 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.155 -10.232 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.591 -8.594 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.084 -10.107 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.950 -9.048 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.336 -10.603 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.912 -9.235 -8.825 1.00 0.00 H new ATOM 833 N PRO A 59 -11.820 -13.763 -3.006 1.00 0.00 N ATOM 834 CA PRO A 59 -12.108 -13.800 -1.577 1.00 0.00 C ATOM 835 C PRO A 59 -10.915 -14.320 -0.770 1.00 0.00 C ATOM 836 O PRO A 59 -10.692 -13.843 0.348 1.00 0.00 O ATOM 837 CB PRO A 59 -13.329 -14.703 -1.414 1.00 0.00 C ATOM 838 CG PRO A 59 -13.298 -15.593 -2.653 1.00 0.00 C ATOM 839 CD PRO A 59 -12.649 -14.711 -3.724 1.00 0.00 C ATOM 0 HA PRO A 59 -12.304 -12.798 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.271 -15.291 -0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.250 -14.123 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.720 -16.500 -2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.300 -15.905 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.052 -15.308 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.405 -14.198 -4.319 1.00 0.00 H new ATOM 847 N GLY A 60 -10.102 -15.214 -1.345 1.00 0.00 N ATOM 848 CA GLY A 60 -8.916 -15.781 -0.712 1.00 0.00 C ATOM 849 C GLY A 60 -7.782 -14.787 -0.480 1.00 0.00 C ATOM 850 O GLY A 60 -6.752 -15.178 0.062 1.00 0.00 O ATOM 0 H GLY A 60 -10.259 -15.569 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.204 -16.214 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.545 -16.597 -1.332 1.00 0.00 H new ATOM 854 N PHE A 61 -7.962 -13.519 -0.843 1.00 0.00 N ATOM 855 CA PHE A 61 -7.061 -12.411 -0.556 1.00 0.00 C ATOM 856 C PHE A 61 -7.702 -11.481 0.481 1.00 0.00 C ATOM 857 O PHE A 61 -7.095 -11.148 1.503 1.00 0.00 O ATOM 858 CB PHE A 61 -6.785 -11.697 -1.877 1.00 0.00 C ATOM 859 CG PHE A 61 -6.307 -10.274 -1.737 1.00 0.00 C ATOM 860 CD1 PHE A 61 -4.976 -10.010 -1.381 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.189 -9.211 -1.996 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.510 -8.687 -1.380 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.721 -7.891 -1.995 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.368 -7.633 -1.720 1.00 0.00 C ATOM 0 H PHE A 61 -8.783 -13.224 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.119 -12.756 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.037 -12.264 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.697 -11.702 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.315 -10.820 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.231 -9.413 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.484 -8.480 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.397 -7.075 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.989 -6.623 -1.771 1.00 0.00 H new ATOM 874 N LEU A 62 -8.973 -11.120 0.276 1.00 0.00 N ATOM 875 CA LEU A 62 -9.755 -10.263 1.175 1.00 0.00 C ATOM 876 C LEU A 62 -9.904 -10.855 2.586 1.00 0.00 C ATOM 877 O LEU A 62 -10.412 -10.172 3.478 1.00 0.00 O ATOM 878 CB LEU A 62 -11.135 -9.990 0.555 1.00 0.00 C ATOM 879 CG LEU A 62 -11.090 -9.107 -0.705 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.459 -9.135 -1.382 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.705 -7.651 -0.407 1.00 0.00 C ATOM 0 H LEU A 62 -9.501 -11.424 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.209 -9.327 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.604 -10.941 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.769 -9.510 1.301 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.318 -9.515 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.436 -8.512 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.706 -10.159 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.213 -8.754 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.691 -7.081 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.434 -7.214 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.716 -7.623 0.051 1.00 0.00 H new ATOM 893 N LYS A 63 -9.468 -12.096 2.833 1.00 0.00 N ATOM 894 CA LYS A 63 -9.561 -12.760 4.133 1.00 0.00 C ATOM 895 C LYS A 63 -8.696 -12.090 5.189 1.00 0.00 C ATOM 896 O LYS A 63 -8.807 -12.372 6.379 1.00 0.00 O ATOM 897 CB LYS A 63 -9.277 -14.266 4.007 1.00 0.00 C ATOM 898 CG LYS A 63 -8.097 -14.718 3.128 1.00 0.00 C ATOM 899 CD LYS A 63 -6.762 -14.069 3.500 1.00 0.00 C ATOM 900 CE LYS A 63 -5.533 -14.847 3.028 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.399 -16.203 3.596 1.00 0.00 N ATOM 0 H LYS A 63 -9.032 -12.677 2.117 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.589 -12.653 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.112 -14.658 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.179 -14.743 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.996 -15.801 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.324 -14.489 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.728 -13.066 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.714 -13.958 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.566 -14.926 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.640 -14.274 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.439 -16.561 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.570 -16.168 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.094 -16.836 3.151 1.00 0.00 H new ATOM 915 N LYS A 64 -7.799 -11.209 4.763 1.00 0.00 N ATOM 916 CA LYS A 64 -6.981 -10.408 5.644 1.00 0.00 C ATOM 917 C LYS A 64 -7.722 -9.177 6.112 1.00 0.00 C ATOM 918 O LYS A 64 -7.609 -8.814 7.277 1.00 0.00 O ATOM 919 CB LYS A 64 -5.731 -10.015 4.862 1.00 0.00 C ATOM 920 CG LYS A 64 -4.627 -11.030 5.156 1.00 0.00 C ATOM 921 CD LYS A 64 -3.781 -10.500 6.333 1.00 0.00 C ATOM 922 CE LYS A 64 -2.464 -11.230 6.575 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.446 -10.933 5.552 1.00 0.00 N ATOM 0 H LYS A 64 -7.622 -11.033 3.774 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.720 -10.977 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.946 -9.990 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.408 -9.013 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.059 -11.999 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.002 -11.177 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.565 -9.446 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.380 -10.556 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.077 -10.954 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.648 -12.304 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.579 -11.469 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.806 -11.204 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.233 -9.915 5.559 1.00 0.00 H new ATOM 937 N LEU A 65 -8.387 -8.474 5.198 1.00 0.00 N ATOM 938 CA LEU A 65 -8.840 -7.124 5.485 1.00 0.00 C ATOM 939 C LEU A 65 -9.937 -7.153 6.548 1.00 0.00 C ATOM 940 O LEU A 65 -9.879 -6.348 7.468 1.00 0.00 O ATOM 941 CB LEU A 65 -9.282 -6.402 4.207 1.00 0.00 C ATOM 942 CG LEU A 65 -8.110 -5.890 3.342 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.465 -6.977 2.472 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.595 -4.743 2.460 1.00 0.00 C ATOM 0 H LEU A 65 -8.620 -8.815 4.265 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.005 -6.550 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.892 -7.080 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.916 -5.558 4.479 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.337 -5.550 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.650 -6.543 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.075 -7.770 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.211 -7.391 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.769 -4.380 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.398 -5.096 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.965 -3.933 3.088 1.00 0.00 H new ATOM 956 N SER A 66 -10.845 -8.131 6.507 1.00 0.00 N ATOM 957 CA SER A 66 -12.000 -8.230 7.400 1.00 0.00 C ATOM 958 C SER A 66 -11.672 -8.347 8.897 1.00 0.00 C ATOM 959 O SER A 66 -12.605 -8.411 9.698 1.00 0.00 O ATOM 960 CB SER A 66 -12.842 -9.447 6.985 1.00 0.00 C ATOM 961 OG SER A 66 -14.223 -9.164 7.071 1.00 0.00 O ATOM 0 H SER A 66 -10.795 -8.896 5.834 1.00 0.00 H new ATOM 0 HA SER A 66 -12.536 -7.287 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.590 -9.736 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.601 -10.295 7.626 1.00 0.00 H new ATOM 0 HG SER A 66 -14.736 -9.954 6.800 1.00 0.00 H new ATOM 967 N LEU A 67 -10.400 -8.446 9.289 1.00 0.00 N ATOM 968 CA LEU A 67 -9.978 -8.505 10.690 1.00 0.00 C ATOM 969 C LEU A 67 -8.818 -7.553 11.012 1.00 0.00 C ATOM 970 O LEU A 67 -8.321 -7.560 12.142 1.00 0.00 O ATOM 971 CB LEU A 67 -9.645 -9.956 11.049 1.00 0.00 C ATOM 972 CG LEU A 67 -8.449 -10.518 10.257 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.221 -10.631 11.151 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.772 -11.878 9.638 1.00 0.00 C ATOM 0 H LEU A 67 -9.622 -8.488 8.631 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.805 -8.158 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.428 -10.019 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.520 -10.579 10.864 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.238 -9.821 9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.386 -11.030 10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.959 -9.645 11.535 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.438 -11.299 11.984 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.905 -12.242 9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.025 -12.586 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.617 -11.776 8.957 1.00 0.00 H new ATOM 986 N LYS A 68 -8.328 -6.794 10.027 1.00 0.00 N ATOM 987 CA LYS A 68 -7.169 -5.916 10.153 1.00 0.00 C ATOM 988 C LYS A 68 -7.570 -4.451 10.318 1.00 0.00 C ATOM 989 O LYS A 68 -6.686 -3.658 10.646 1.00 0.00 O ATOM 990 CB LYS A 68 -6.249 -6.092 8.923 1.00 0.00 C ATOM 991 CG LYS A 68 -4.928 -6.830 9.188 1.00 0.00 C ATOM 992 CD LYS A 68 -5.084 -8.246 9.753 1.00 0.00 C ATOM 993 CE LYS A 68 -3.732 -8.975 9.735 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.835 -10.341 10.289 1.00 0.00 N ATOM 0 H LYS A 68 -8.741 -6.776 9.095 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.630 -6.200 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.800 -6.633 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.020 -5.106 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.366 -6.886 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.332 -6.240 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.467 -8.199 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.813 -8.802 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.360 -9.025 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.004 -8.404 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.886 -10.762 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.261 -10.300 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.431 -10.924 9.667 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.823 -4.066 10.068 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.231 -2.660 10.031 1.00 0.00 C ATOM 1010 C PHE A 69 -10.322 -2.415 11.057 1.00 0.00 C ATOM 1011 O PHE A 69 -11.142 -3.301 11.293 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.758 -2.290 8.638 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.717 -2.321 7.538 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.166 -3.532 7.075 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.324 -1.114 6.943 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.199 -3.531 6.063 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.425 -1.123 5.868 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.851 -2.325 5.442 1.00 0.00 C ATOM 0 H PHE A 69 -9.584 -4.720 9.885 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.363 -2.042 10.260 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.564 -2.975 8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.191 -1.291 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.492 -4.468 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.714 -0.177 7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.725 -4.454 5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.175 -0.199 5.367 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.137 -2.323 4.632 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.381 -1.210 11.631 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.441 -0.926 12.595 1.00 0.00 C ATOM 1030 C LYS A 70 -12.774 -0.760 11.906 1.00 0.00 C ATOM 1031 O LYS A 70 -13.686 -1.556 12.114 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.165 0.209 13.603 1.00 0.00 C ATOM 1033 CG LYS A 70 -9.874 1.008 13.443 1.00 0.00 C ATOM 1034 CD LYS A 70 -9.936 2.102 12.358 1.00 0.00 C ATOM 1035 CE LYS A 70 -10.897 3.267 12.670 1.00 0.00 C ATOM 1036 NZ LYS A 70 -10.412 4.150 13.753 1.00 0.00 N ATOM 0 H LYS A 70 -9.733 -0.443 11.453 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.470 -1.814 13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.999 0.909 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.169 -0.224 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.627 1.473 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.062 0.321 13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.934 2.505 12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.237 1.643 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.045 3.859 11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.870 2.862 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.101 4.912 13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.296 3.597 14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.497 4.563 13.481 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.848 0.285 11.100 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.084 0.866 10.614 1.00 0.00 C ATOM 1052 C ASP A 71 -13.938 1.003 9.106 1.00 0.00 C ATOM 1053 O ASP A 71 -13.730 2.107 8.602 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.275 2.162 11.405 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.470 3.000 10.990 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.563 2.464 10.739 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.292 4.242 10.987 1.00 0.00 O ATOM 0 H ASP A 71 -12.019 0.768 10.755 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.989 0.277 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.375 1.913 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.374 2.767 11.304 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.888 -0.137 8.385 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.511 -0.164 6.977 1.00 0.00 C ATOM 1064 C PRO A 72 -14.564 0.519 6.103 1.00 0.00 C ATOM 1065 O PRO A 72 -14.210 1.128 5.090 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.316 -1.638 6.631 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.264 -2.339 7.581 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.130 -1.500 8.863 1.00 0.00 C ATOM 0 HA PRO A 72 -12.595 0.396 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.563 -1.844 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.284 -1.955 6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.287 -2.344 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.980 -3.379 7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.035 -1.553 9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.308 -1.854 9.485 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.830 0.471 6.528 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.007 0.887 5.782 1.00 0.00 C ATOM 1078 C GLU A 73 -16.934 2.320 5.272 1.00 0.00 C ATOM 1079 O GLU A 73 -17.563 2.617 4.261 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.254 0.724 6.657 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.268 1.631 7.895 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.609 1.522 8.598 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -19.824 0.551 9.357 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.483 2.372 8.299 1.00 0.00 O ATOM 0 H GLU A 73 -16.067 0.120 7.456 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.058 0.244 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.138 0.934 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.327 -0.315 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.466 1.345 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.084 2.665 7.602 1.00 0.00 H new ATOM 1091 N ASN A 74 -16.175 3.185 5.954 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.908 4.582 5.635 1.00 0.00 C ATOM 1093 C ASN A 74 -14.440 4.931 5.913 1.00 0.00 C ATOM 1094 O ASN A 74 -14.130 6.096 6.150 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.942 5.530 6.279 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.131 5.383 7.778 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -16.067 5.179 8.524 1.00 0.00 O flip ATOM 1098 ND2 ASN A 74 -18.253 5.446 8.277 1.00 0.00 N flip ATOM 0 H ASN A 74 -15.697 2.899 6.808 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.044 4.735 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.645 6.557 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -17.905 5.371 5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.067 5.605 7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.370 5.339 9.285 1.00 0.00 H new ATOM 1105 N THR A 75 -13.530 3.950 5.882 1.00 0.00 N ATOM 1106 CA THR A 75 -12.093 4.177 5.747 1.00 0.00 C ATOM 1107 C THR A 75 -11.786 4.367 4.248 1.00 0.00 C ATOM 1108 O THR A 75 -12.371 3.698 3.386 1.00 0.00 O ATOM 1109 CB THR A 75 -11.328 2.994 6.407 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.017 3.301 7.750 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.997 2.586 5.745 1.00 0.00 C ATOM 0 H THR A 75 -13.779 2.963 5.951 1.00 0.00 H new ATOM 0 HA THR A 75 -11.761 5.077 6.264 1.00 0.00 H new ATOM 0 HB THR A 75 -12.020 2.160 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.354 4.022 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.558 1.753 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.181 2.285 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.309 3.432 5.759 1.00 0.00 H new ATOM 1119 N THR A 76 -10.837 5.248 3.923 1.00 0.00 N ATOM 1120 CA THR A 76 -10.222 5.326 2.603 1.00 0.00 C ATOM 1121 C THR A 76 -8.971 4.447 2.615 1.00 0.00 C ATOM 1122 O THR A 76 -8.074 4.676 3.428 1.00 0.00 O ATOM 1123 CB THR A 76 -9.848 6.780 2.273 1.00 0.00 C ATOM 1124 OG1 THR A 76 -10.914 7.677 2.524 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.446 6.910 0.809 1.00 0.00 C ATOM 0 H THR A 76 -10.471 5.936 4.582 1.00 0.00 H new ATOM 0 HA THR A 76 -10.920 4.980 1.841 1.00 0.00 H new ATOM 0 HB THR A 76 -9.012 7.039 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.633 8.589 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.185 7.946 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.586 6.270 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.279 6.607 0.175 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.892 3.426 1.760 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.644 2.687 1.607 1.00 0.00 C ATOM 1135 C LEU A 77 -6.765 3.337 0.541 1.00 0.00 C ATOM 1136 O LEU A 77 -7.267 3.933 -0.404 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.908 1.206 1.272 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.373 0.258 2.353 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.635 -1.199 1.949 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.869 0.441 2.593 1.00 0.00 C ATOM 0 H LEU A 77 -9.661 3.099 1.175 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.114 2.721 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.980 1.049 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.442 0.964 0.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.898 0.500 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.252 -1.865 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.707 -1.357 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.132 -1.411 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.537 -0.252 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.326 0.241 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.674 1.464 2.914 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.458 3.127 0.636 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.487 3.454 -0.390 1.00 0.00 C ATOM 1154 C TYR A 78 -3.643 2.198 -0.533 1.00 0.00 C ATOM 1155 O TYR A 78 -2.946 1.819 0.409 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.655 4.682 0.014 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.440 5.982 0.104 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.263 6.236 1.219 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.386 6.919 -0.946 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.091 7.369 1.253 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.225 8.048 -0.925 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.114 8.253 0.153 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.986 9.298 0.124 1.00 0.00 O ATOM 0 H TYR A 78 -5.033 2.708 1.463 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.949 3.728 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.190 4.487 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.848 4.810 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.257 5.553 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.701 6.771 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.708 7.564 2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.189 8.760 -1.736 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.573 9.213 -0.656 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.750 1.487 -1.651 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.876 0.345 -1.895 1.00 0.00 C ATOM 1175 C ILE A 79 -1.436 0.855 -2.089 1.00 0.00 C ATOM 1176 O ILE A 79 -1.243 2.036 -2.389 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.453 -0.464 -3.080 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.771 -1.145 -2.638 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.523 -1.575 -3.576 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.011 -0.309 -2.930 1.00 0.00 C ATOM 0 H ILE A 79 -4.423 1.677 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.833 -0.343 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.597 0.251 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.862 -2.106 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.724 -1.351 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.994 -2.099 -4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.581 -1.139 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.332 -2.278 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.899 -0.846 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.941 0.642 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.081 -0.125 -4.002 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.428 -0.017 -2.022 1.00 0.00 N ATOM 1193 CA LEU A 80 0.933 0.235 -2.493 1.00 0.00 C ATOM 1194 C LEU A 80 1.443 -1.061 -3.133 1.00 0.00 C ATOM 1195 O LEU A 80 1.391 -2.101 -2.476 1.00 0.00 O ATOM 1196 CB LEU A 80 1.816 0.673 -1.307 1.00 0.00 C ATOM 1197 CG LEU A 80 2.891 1.718 -1.656 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.778 1.971 -0.433 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.768 1.364 -2.854 1.00 0.00 C ATOM 0 H LEU A 80 -0.542 -0.949 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 80 0.961 1.038 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.175 1.079 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.306 -0.208 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 80 2.343 2.615 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.539 2.711 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.166 2.342 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.261 1.040 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.494 2.160 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.293 0.429 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.144 1.250 -3.740 1.00 0.00 H new ATOM 1211 N ASP A 81 1.891 -1.025 -4.392 1.00 0.00 N ATOM 1212 CA ASP A 81 2.476 -2.166 -5.118 1.00 0.00 C ATOM 1213 C ASP A 81 3.932 -1.831 -5.515 1.00 0.00 C ATOM 1214 O ASP A 81 4.424 -0.768 -5.135 1.00 0.00 O ATOM 1215 CB ASP A 81 1.602 -2.545 -6.326 1.00 0.00 C ATOM 1216 CG ASP A 81 1.663 -4.030 -6.659 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.726 -4.662 -6.457 1.00 0.00 O ATOM 1218 OD2 ASP A 81 0.645 -4.586 -7.130 1.00 0.00 O ATOM 0 H ASP A 81 1.857 -0.175 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 81 2.503 -3.043 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.568 -2.266 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.922 -1.970 -7.195 1.00 0.00 H new ATOM 1223 N LYS A 82 4.663 -2.717 -6.212 1.00 0.00 N ATOM 1224 CA LYS A 82 6.066 -2.501 -6.602 1.00 0.00 C ATOM 1225 C LYS A 82 6.170 -1.333 -7.562 1.00 0.00 C ATOM 1226 O LYS A 82 6.577 -0.268 -7.129 1.00 0.00 O ATOM 1227 CB LYS A 82 6.742 -3.751 -7.190 1.00 0.00 C ATOM 1228 CG LYS A 82 6.982 -4.879 -6.187 1.00 0.00 C ATOM 1229 CD LYS A 82 5.801 -5.865 -6.088 1.00 0.00 C ATOM 1230 CE LYS A 82 6.161 -7.315 -6.418 1.00 0.00 C ATOM 1231 NZ LYS A 82 6.901 -7.431 -7.691 1.00 0.00 N ATOM 0 H LYS A 82 4.291 -3.614 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 82 6.609 -2.271 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.125 -4.132 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.698 -3.460 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.880 -5.426 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.171 -4.448 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.394 -5.825 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.011 -5.536 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.764 -7.731 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.249 -7.910 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.720 -8.364 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.585 -6.687 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.920 -7.324 -7.511 1.00 0.00 H new ATOM 1245 N PHE A 83 5.834 -1.512 -8.837 1.00 0.00 N ATOM 1246 CA PHE A 83 5.959 -0.458 -9.831 1.00 0.00 C ATOM 1247 C PHE A 83 4.589 -0.243 -10.436 1.00 0.00 C ATOM 1248 O PHE A 83 4.013 0.833 -10.289 1.00 0.00 O ATOM 1249 CB PHE A 83 7.037 -0.826 -10.858 1.00 0.00 C ATOM 1250 CG PHE A 83 7.282 0.194 -11.956 1.00 0.00 C ATOM 1251 CD1 PHE A 83 7.305 1.571 -11.668 1.00 0.00 C ATOM 1252 CD2 PHE A 83 7.482 -0.239 -13.280 1.00 0.00 C ATOM 1253 CE1 PHE A 83 7.475 2.505 -12.702 1.00 0.00 C ATOM 1254 CE2 PHE A 83 7.672 0.699 -14.311 1.00 0.00 C ATOM 1255 CZ PHE A 83 7.643 2.073 -14.025 1.00 0.00 C ATOM 0 H PHE A 83 5.469 -2.390 -9.206 1.00 0.00 H new ATOM 0 HA PHE A 83 6.289 0.483 -9.390 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.975 -0.993 -10.328 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.761 -1.772 -11.323 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.192 1.910 -10.649 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.490 -1.295 -13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.476 3.561 -12.477 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.840 0.362 -15.323 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.750 2.795 -14.821 1.00 0.00 H new ATOM 1265 N ASP A 84 4.004 -1.290 -11.013 1.00 0.00 N ATOM 1266 CA ASP A 84 2.638 -1.292 -11.524 1.00 0.00 C ATOM 1267 C ASP A 84 1.869 -2.311 -10.702 1.00 0.00 C ATOM 1268 O ASP A 84 1.172 -1.936 -9.760 1.00 0.00 O ATOM 1269 CB ASP A 84 2.610 -1.606 -13.021 1.00 0.00 C ATOM 1270 CG ASP A 84 3.305 -0.529 -13.829 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.849 0.634 -13.802 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.326 -0.841 -14.479 1.00 0.00 O ATOM 0 H ASP A 84 4.480 -2.183 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 84 2.176 -0.310 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.094 -2.566 -13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.577 -1.702 -13.354 1.00 0.00 H new ATOM 1277 N GLY A 85 2.088 -3.600 -10.970 1.00 0.00 N ATOM 1278 CA GLY A 85 1.462 -4.677 -10.231 1.00 0.00 C ATOM 1279 C GLY A 85 -0.028 -4.740 -10.558 1.00 0.00 C ATOM 1280 O GLY A 85 -0.395 -4.838 -11.736 1.00 0.00 O ATOM 0 H GLY A 85 2.710 -3.919 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.938 -5.625 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.601 -4.523 -9.161 1.00 0.00 H new ATOM 1284 N ASN A 86 -0.894 -4.704 -9.545 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.352 -4.639 -9.723 1.00 0.00 C ATOM 1286 C ASN A 86 -2.985 -3.662 -8.731 1.00 0.00 C ATOM 1287 O ASN A 86 -4.135 -3.820 -8.327 1.00 0.00 O ATOM 1288 CB ASN A 86 -2.989 -6.042 -9.678 1.00 0.00 C ATOM 1289 CG ASN A 86 -3.518 -6.537 -11.026 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -3.428 -7.727 -11.316 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -4.097 -5.702 -11.876 1.00 0.00 N ATOM 0 H ASN A 86 -0.604 -4.719 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.557 -4.246 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.250 -6.752 -9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.809 -6.033 -8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.463 -6.049 -12.762 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.176 -4.712 -11.644 1.00 0.00 H new ATOM 1298 N SER A 87 -2.224 -2.649 -8.330 1.00 0.00 N ATOM 1299 CA SER A 87 -2.633 -1.578 -7.441 1.00 0.00 C ATOM 1300 C SER A 87 -4.053 -1.074 -7.720 1.00 0.00 C ATOM 1301 O SER A 87 -4.878 -1.067 -6.807 1.00 0.00 O ATOM 1302 CB SER A 87 -1.605 -0.447 -7.579 1.00 0.00 C ATOM 1303 OG SER A 87 -1.355 -0.184 -8.951 1.00 0.00 O ATOM 0 H SER A 87 -1.255 -2.552 -8.635 1.00 0.00 H new ATOM 0 HA SER A 87 -2.662 -1.956 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.975 0.454 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.677 -0.724 -7.078 1.00 0.00 H new ATOM 0 HG SER A 87 -0.579 -0.704 -9.248 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.338 -0.662 -8.961 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.626 -0.099 -9.351 1.00 0.00 C ATOM 1311 C GLU A 88 -6.734 -1.139 -9.212 1.00 0.00 C ATOM 1312 O GLU A 88 -7.809 -0.813 -8.731 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.598 0.430 -10.789 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.652 1.624 -10.979 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.727 2.221 -12.391 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.424 1.676 -13.276 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -4.089 3.269 -12.624 1.00 0.00 O ATOM 0 H GLU A 88 -3.669 -0.713 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.828 0.736 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.295 -0.375 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.606 0.724 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.897 2.396 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.629 1.307 -10.777 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.486 -2.389 -9.613 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.468 -3.468 -9.536 1.00 0.00 C ATOM 1326 C LEU A 89 -7.906 -3.639 -8.082 1.00 0.00 C ATOM 1327 O LEU A 89 -9.095 -3.730 -7.792 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.850 -4.744 -10.137 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.786 -5.918 -10.472 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.467 -6.535 -9.253 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.827 -5.555 -11.538 1.00 0.00 C ATOM 0 H LEU A 89 -5.590 -2.680 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.363 -3.238 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.329 -4.462 -11.052 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.095 -5.108 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.125 -6.681 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.110 -7.356 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.710 -6.913 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.068 -5.778 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.461 -6.419 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.441 -4.729 -11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.320 -5.259 -12.456 1.00 0.00 H new ATOM 1343 N VAL A 90 -6.960 -3.630 -7.145 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.294 -3.684 -5.731 1.00 0.00 C ATOM 1345 C VAL A 90 -7.994 -2.379 -5.295 1.00 0.00 C ATOM 1346 O VAL A 90 -8.934 -2.450 -4.492 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.040 -4.057 -4.920 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.370 -4.274 -3.436 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.419 -5.376 -5.413 1.00 0.00 C ATOM 0 H VAL A 90 -5.960 -3.586 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.021 -4.471 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.350 -3.224 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.460 -4.536 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.789 -3.358 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.095 -5.082 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.536 -5.607 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.147 -6.181 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.134 -5.275 -6.460 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.593 -1.211 -5.821 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.203 0.088 -5.528 1.00 0.00 C ATOM 1361 C ALA A 91 -9.668 0.170 -5.971 1.00 0.00 C ATOM 1362 O ALA A 91 -10.430 0.956 -5.409 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.412 1.227 -6.183 1.00 0.00 C ATOM 0 H ALA A 91 -6.816 -1.146 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.175 0.195 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.886 2.180 -5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.391 1.227 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.396 1.084 -7.264 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.100 -0.660 -6.918 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.480 -0.735 -7.387 1.00 0.00 C ATOM 1371 C GLU A 92 -12.132 -2.065 -6.982 1.00 0.00 C ATOM 1372 O GLU A 92 -13.162 -2.452 -7.539 1.00 0.00 O ATOM 1373 CB GLU A 92 -11.560 -0.429 -8.899 1.00 0.00 C ATOM 1374 CG GLU A 92 -10.697 -1.344 -9.782 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.467 -1.914 -10.964 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.199 -2.912 -10.779 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.323 -1.414 -12.099 1.00 0.00 O ATOM 0 H GLU A 92 -9.481 -1.317 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.068 0.038 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.599 -0.511 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.257 0.605 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.838 -0.783 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.308 -2.163 -9.178 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.569 -2.770 -5.991 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.118 -4.014 -5.455 1.00 0.00 C ATOM 1386 C LEU A 93 -12.568 -3.830 -4.013 1.00 0.00 C ATOM 1387 O LEU A 93 -13.716 -4.145 -3.694 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.092 -5.151 -5.579 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.634 -6.509 -5.095 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.685 -7.074 -6.056 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.476 -7.497 -4.966 1.00 0.00 C ATOM 0 H LEU A 93 -10.704 -2.483 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.995 -4.286 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.782 -5.241 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.203 -4.895 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.113 -6.358 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.043 -8.032 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.521 -6.378 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.240 -7.214 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.856 -8.460 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.994 -7.621 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.751 -7.116 -4.247 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.699 -3.342 -3.121 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.041 -3.226 -1.698 1.00 0.00 C ATOM 1405 C VAL A 94 -13.273 -2.343 -1.496 1.00 0.00 C ATOM 1406 O VAL A 94 -14.175 -2.701 -0.735 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.848 -2.739 -0.854 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.764 -3.821 -0.795 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.195 -1.449 -1.357 1.00 0.00 C ATOM 0 H VAL A 94 -10.759 -3.023 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.289 -4.226 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.269 -2.529 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.926 -3.464 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.175 -4.724 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.419 -4.045 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.365 -1.182 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.823 -1.600 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.931 -0.645 -1.357 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.349 -1.238 -2.242 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.438 -0.280 -2.179 1.00 0.00 C ATOM 1421 C ALA A 95 -15.790 -0.893 -2.583 1.00 0.00 C ATOM 1422 O ALA A 95 -16.841 -0.311 -2.324 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.083 0.908 -3.075 1.00 0.00 C ATOM 0 H ALA A 95 -12.632 -0.985 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.558 0.046 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.889 1.641 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.160 1.367 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.947 0.563 -4.100 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.782 -2.067 -3.220 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.965 -2.790 -3.665 1.00 0.00 C ATOM 1431 C LEU A 96 -17.222 -4.024 -2.787 1.00 0.00 C ATOM 1432 O LEU A 96 -18.182 -4.757 -3.033 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.786 -3.218 -5.131 1.00 0.00 C ATOM 1434 CG LEU A 96 -16.913 -2.101 -6.181 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.824 -1.023 -6.103 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.872 -2.771 -7.558 1.00 0.00 C ATOM 0 H LEU A 96 -14.915 -2.554 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.827 -2.128 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.804 -3.679 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.525 -3.987 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.849 -1.575 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.994 -0.278 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.857 -0.542 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.846 -1.482 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.959 -2.012 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.928 -3.303 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.699 -3.476 -7.645 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.374 -4.298 -1.788 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.348 -5.561 -1.041 1.00 0.00 C ATOM 1450 C ASN A 97 -16.516 -5.381 0.464 1.00 0.00 C ATOM 1451 O ASN A 97 -16.605 -6.387 1.173 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.059 -6.342 -1.350 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.284 -7.237 -2.551 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.738 -8.370 -2.396 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.054 -6.720 -3.742 1.00 0.00 N ATOM 0 H ASN A 97 -15.670 -3.632 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.212 -6.134 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.241 -5.650 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.769 -6.941 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.253 -7.264 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.677 -5.776 -3.824 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.588 -4.143 0.953 1.00 0.00 N ATOM 1463 CA GLY A 98 -16.806 -3.838 2.363 1.00 0.00 C ATOM 1464 C GLY A 98 -15.941 -2.689 2.870 1.00 0.00 C ATOM 1465 O GLY A 98 -15.611 -2.664 4.054 1.00 0.00 O ATOM 0 H GLY A 98 -16.495 -3.312 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.856 -3.589 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.600 -4.729 2.957 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.540 -1.773 1.990 1.00 0.00 N ATOM 1470 CA PHE A 99 -14.923 -0.497 2.312 1.00 0.00 C ATOM 1471 C PHE A 99 -15.590 0.565 1.425 1.00 0.00 C ATOM 1472 O PHE A 99 -16.284 0.215 0.474 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.435 -0.513 1.960 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.521 -1.290 2.874 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.539 -2.697 2.892 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.640 -0.586 3.714 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.709 -3.393 3.783 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.782 -1.288 4.571 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.823 -2.691 4.617 1.00 0.00 C ATOM 0 H PHE A 99 -15.644 -1.912 0.985 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.041 -0.293 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.330 -0.917 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.084 0.518 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.190 -3.239 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.625 0.494 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.751 -4.471 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.087 -0.749 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.175 -3.229 5.292 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.317 1.852 1.651 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.970 2.951 0.932 1.00 0.00 C ATOM 1491 C LYS A 100 -15.317 3.329 -0.394 1.00 0.00 C ATOM 1492 O LYS A 100 -16.014 3.561 -1.379 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.963 4.176 1.844 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.957 5.299 1.520 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.387 5.038 2.014 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.256 4.208 1.062 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.591 3.980 1.647 1.00 0.00 N ATOM 0 H LYS A 100 -14.634 2.164 2.341 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.974 2.607 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.155 3.839 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.959 4.600 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.596 6.227 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.979 5.448 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.336 4.527 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.877 5.996 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.354 4.724 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.773 3.252 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.167 3.416 0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.493 3.468 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.056 4.894 1.818 1.00 0.00 H new ATOM 1511 N SER A 101 -14.004 3.548 -0.386 1.00 0.00 N ATOM 1512 CA SER A 101 -13.256 4.181 -1.469 1.00 0.00 C ATOM 1513 C SER A 101 -11.807 3.737 -1.303 1.00 0.00 C ATOM 1514 O SER A 101 -11.345 3.619 -0.158 1.00 0.00 O ATOM 1515 CB SER A 101 -13.320 5.723 -1.371 1.00 0.00 C ATOM 1516 OG SER A 101 -14.453 6.213 -0.664 1.00 0.00 O ATOM 0 H SER A 101 -13.412 3.281 0.401 1.00 0.00 H new ATOM 0 HA SER A 101 -13.675 3.893 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.415 6.083 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.325 6.141 -2.378 1.00 0.00 H new ATOM 0 HG SER A 101 -14.426 7.192 -0.641 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.080 3.489 -2.390 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.649 3.226 -2.337 1.00 0.00 C ATOM 1524 C ALA A 102 -8.917 3.942 -3.467 1.00 0.00 C ATOM 1525 O ALA A 102 -9.547 4.447 -4.391 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.374 1.719 -2.336 1.00 0.00 C ATOM 0 H ALA A 102 -11.470 3.465 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.260 3.628 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.299 1.545 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.848 1.263 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.780 1.275 -3.245 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.590 3.985 -3.368 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.681 4.659 -4.283 1.00 0.00 C ATOM 1534 C TYR A 103 -5.538 3.720 -4.635 1.00 0.00 C ATOM 1535 O TYR A 103 -5.158 2.862 -3.829 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.061 5.878 -3.589 1.00 0.00 C ATOM 1537 CG TYR A 103 -6.858 7.161 -3.634 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.033 7.278 -2.872 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.376 8.266 -4.366 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -8.747 8.484 -2.859 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.076 9.485 -4.339 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.274 9.594 -3.596 1.00 0.00 C ATOM 1543 OH TYR A 103 -8.963 10.767 -3.590 1.00 0.00 O ATOM 0 H TYR A 103 -7.096 3.524 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.237 4.958 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -5.886 5.622 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.086 6.067 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.387 6.436 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.470 8.176 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.659 8.565 -2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.699 10.337 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.496 11.424 -4.148 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.898 4.001 -5.768 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.586 3.494 -6.118 1.00 0.00 C ATOM 1555 C ALA A 104 -2.579 4.648 -6.221 1.00 0.00 C ATOM 1556 O ALA A 104 -2.954 5.816 -6.387 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.696 2.688 -7.414 1.00 0.00 C ATOM 0 H ALA A 104 -5.296 4.607 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.214 2.828 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.714 2.302 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.385 1.856 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.067 3.331 -8.212 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.294 4.309 -6.135 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.146 5.207 -6.256 1.00 0.00 C ATOM 1565 C ILE A 105 0.575 4.806 -7.538 1.00 0.00 C ATOM 1566 O ILE A 105 1.025 3.666 -7.660 1.00 0.00 O ATOM 1567 CB ILE A 105 0.780 5.161 -5.003 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.244 5.510 -5.350 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.756 3.817 -4.273 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.174 5.736 -4.161 1.00 0.00 C ATOM 0 H ILE A 105 -1.009 3.344 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.469 6.247 -6.308 1.00 0.00 H new ATOM 0 HB ILE A 105 0.370 5.917 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.654 4.705 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.247 6.410 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.423 3.859 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.258 3.604 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.086 3.029 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.175 5.974 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.799 6.563 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.213 4.832 -3.553 1.00 0.00 H new ATOM 1582 N LYS A 106 0.693 5.718 -8.499 1.00 0.00 N ATOM 1583 CA LYS A 106 1.519 5.511 -9.683 1.00 0.00 C ATOM 1584 C LYS A 106 2.962 5.266 -9.253 1.00 0.00 C ATOM 1585 O LYS A 106 3.406 5.836 -8.259 1.00 0.00 O ATOM 1586 CB LYS A 106 1.448 6.759 -10.579 1.00 0.00 C ATOM 1587 CG LYS A 106 1.222 6.414 -12.065 1.00 0.00 C ATOM 1588 CD LYS A 106 2.499 6.324 -12.912 1.00 0.00 C ATOM 1589 CE LYS A 106 2.393 5.318 -14.068 1.00 0.00 C ATOM 1590 NZ LYS A 106 1.220 5.490 -14.949 1.00 0.00 N ATOM 0 H LYS A 106 0.219 6.621 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 106 1.156 4.647 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.640 7.404 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.373 7.326 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.696 5.461 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.567 7.168 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.728 7.310 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.333 6.042 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 106 3.296 5.390 -14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.369 4.311 -13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.247 4.777 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.349 5.373 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.238 6.441 -15.369 1.00 0.00 H new ATOM 1604 N ASP A 107 3.692 4.473 -10.033 1.00 0.00 N ATOM 1605 CA ASP A 107 5.098 4.110 -9.836 1.00 0.00 C ATOM 1606 C ASP A 107 5.341 3.307 -8.543 1.00 0.00 C ATOM 1607 O ASP A 107 6.483 2.953 -8.259 1.00 0.00 O ATOM 1608 CB ASP A 107 6.032 5.337 -9.927 1.00 0.00 C ATOM 1609 CG ASP A 107 5.985 6.152 -11.217 1.00 0.00 C ATOM 1610 OD1 ASP A 107 5.880 5.559 -12.316 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.131 7.390 -11.125 1.00 0.00 O ATOM 0 H ASP A 107 3.298 4.040 -10.868 1.00 0.00 H new ATOM 0 HA ASP A 107 5.350 3.444 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.797 6.003 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.056 4.994 -9.780 1.00 0.00 H new ATOM 1616 N GLY A 108 4.290 2.970 -7.783 1.00 0.00 N ATOM 1617 CA GLY A 108 4.326 2.165 -6.567 1.00 0.00 C ATOM 1618 C GLY A 108 5.411 2.628 -5.599 1.00 0.00 C ATOM 1619 O GLY A 108 5.385 3.774 -5.154 1.00 0.00 O ATOM 0 H GLY A 108 3.344 3.271 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.356 2.214 -6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.498 1.121 -6.830 1.00 0.00 H new ATOM 1623 N ALA A 109 6.335 1.745 -5.227 1.00 0.00 N ATOM 1624 CA ALA A 109 7.506 2.018 -4.409 1.00 0.00 C ATOM 1625 C ALA A 109 8.803 1.898 -5.210 1.00 0.00 C ATOM 1626 O ALA A 109 9.806 2.451 -4.768 1.00 0.00 O ATOM 1627 CB ALA A 109 7.542 1.065 -3.208 1.00 0.00 C ATOM 0 H ALA A 109 6.280 0.765 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 109 7.429 3.047 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.422 1.277 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.644 1.205 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.585 0.035 -3.562 1.00 0.00 H new ATOM 1633 N GLU A 110 8.797 1.219 -6.358 1.00 0.00 N ATOM 1634 CA GLU A 110 9.954 0.927 -7.191 1.00 0.00 C ATOM 1635 C GLU A 110 9.736 1.544 -8.578 1.00 0.00 C ATOM 1636 O GLU A 110 9.515 0.830 -9.557 1.00 0.00 O ATOM 1637 CB GLU A 110 10.209 -0.589 -7.285 1.00 0.00 C ATOM 1638 CG GLU A 110 10.661 -1.254 -5.979 1.00 0.00 C ATOM 1639 CD GLU A 110 11.457 -2.524 -6.307 1.00 0.00 C ATOM 1640 OE1 GLU A 110 10.885 -3.508 -6.840 1.00 0.00 O ATOM 1641 OE2 GLU A 110 12.702 -2.501 -6.150 1.00 0.00 O ATOM 0 H GLU A 110 7.935 0.839 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 110 10.843 1.366 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.295 -1.075 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.967 -0.768 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.276 -0.565 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.795 -1.502 -5.365 1.00 0.00 H new ATOM 1648 N GLY A 111 9.769 2.875 -8.669 1.00 0.00 N ATOM 1649 CA GLY A 111 9.591 3.608 -9.918 1.00 0.00 C ATOM 1650 C GLY A 111 10.317 4.951 -9.869 1.00 0.00 C ATOM 1651 O GLY A 111 10.901 5.285 -8.836 1.00 0.00 O ATOM 0 H GLY A 111 9.923 3.481 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.971 3.015 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.529 3.771 -10.101 1.00 0.00 H new ATOM 1655 N PRO A 112 10.310 5.757 -10.948 1.00 0.00 N ATOM 1656 CA PRO A 112 11.126 6.966 -11.020 1.00 0.00 C ATOM 1657 C PRO A 112 10.587 8.106 -10.162 1.00 0.00 C ATOM 1658 O PRO A 112 11.353 9.019 -9.846 1.00 0.00 O ATOM 1659 CB PRO A 112 11.177 7.353 -12.497 1.00 0.00 C ATOM 1660 CG PRO A 112 9.860 6.806 -13.029 1.00 0.00 C ATOM 1661 CD PRO A 112 9.660 5.520 -12.225 1.00 0.00 C ATOM 0 HA PRO A 112 12.120 6.770 -10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.251 8.432 -12.631 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.034 6.909 -13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.041 7.508 -12.874 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.911 6.607 -14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.601 5.301 -12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.100 4.664 -12.737 1.00 0.00 H new ATOM 1669 N ARG A 113 9.317 8.045 -9.752 1.00 0.00 N ATOM 1670 CA ARG A 113 8.667 8.956 -8.808 1.00 0.00 C ATOM 1671 C ARG A 113 7.686 8.195 -7.911 1.00 0.00 C ATOM 1672 O ARG A 113 6.688 8.773 -7.483 1.00 0.00 O ATOM 1673 CB ARG A 113 7.976 10.095 -9.575 1.00 0.00 C ATOM 1674 CG ARG A 113 8.996 11.073 -10.148 1.00 0.00 C ATOM 1675 CD ARG A 113 8.321 12.333 -10.701 1.00 0.00 C ATOM 1676 NE ARG A 113 9.323 13.241 -11.278 1.00 0.00 N ATOM 1677 CZ ARG A 113 10.118 12.956 -12.317 1.00 0.00 C ATOM 1678 NH1 ARG A 113 9.867 11.920 -13.108 1.00 0.00 N ATOM 1679 NH2 ARG A 113 11.189 13.702 -12.536 1.00 0.00 N ATOM 0 H ARG A 113 8.682 7.321 -10.088 1.00 0.00 H new ATOM 0 HA ARG A 113 9.421 9.397 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.373 9.680 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.295 10.625 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.709 11.352 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.563 10.585 -10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.590 12.058 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.777 12.841 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 113 9.420 14.163 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.057 11.326 -12.929 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.484 11.718 -13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.401 14.484 -11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 113 11.802 13.495 -13.324 1.00 0.00 H new ATOM 1693 N GLY A 114 7.937 6.906 -7.659 1.00 0.00 N ATOM 1694 CA GLY A 114 7.164 6.126 -6.703 1.00 0.00 C ATOM 1695 C GLY A 114 7.493 6.578 -5.280 1.00 0.00 C ATOM 1696 O GLY A 114 8.144 7.600 -5.077 1.00 0.00 O ATOM 0 H GLY A 114 8.682 6.380 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.098 6.249 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.389 5.066 -6.819 1.00 0.00 H new ATOM 1700 N TRP A 115 7.041 5.825 -4.276 1.00 0.00 N ATOM 1701 CA TRP A 115 7.162 6.147 -2.858 1.00 0.00 C ATOM 1702 C TRP A 115 8.593 6.568 -2.502 1.00 0.00 C ATOM 1703 O TRP A 115 8.793 7.668 -1.980 1.00 0.00 O ATOM 1704 CB TRP A 115 6.685 4.952 -2.009 1.00 0.00 C ATOM 1705 CG TRP A 115 6.409 5.229 -0.559 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.335 5.371 0.417 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.115 5.352 0.104 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.709 5.576 1.634 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.333 5.615 1.492 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.777 5.247 -0.334 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.265 5.818 2.386 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.705 5.397 0.564 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.945 5.703 1.915 1.00 0.00 C ATOM 0 H TRP A 115 6.562 4.939 -4.438 1.00 0.00 H new ATOM 0 HA TRP A 115 6.522 7.001 -2.634 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.776 4.555 -2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.440 4.168 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.404 5.330 0.268 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.199 5.684 2.522 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.573 5.048 -1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.457 6.059 3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.691 5.276 0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.116 5.850 2.591 1.00 0.00 H new ATOM 1724 N LEU A 116 9.574 5.697 -2.772 1.00 0.00 N ATOM 1725 CA LEU A 116 10.983 5.965 -2.468 1.00 0.00 C ATOM 1726 C LEU A 116 11.450 7.202 -3.242 1.00 0.00 C ATOM 1727 O LEU A 116 12.052 8.122 -2.684 1.00 0.00 O ATOM 1728 CB LEU A 116 11.869 4.746 -2.806 1.00 0.00 C ATOM 1729 CG LEU A 116 11.577 3.473 -1.983 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.371 2.281 -2.539 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.931 3.658 -0.501 1.00 0.00 C ATOM 0 H LEU A 116 9.412 4.789 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 116 11.078 6.154 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.748 4.511 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.913 5.023 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 116 10.507 3.280 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.154 1.392 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.086 2.106 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.438 2.499 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.711 2.740 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.992 3.890 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.342 4.476 -0.086 1.00 0.00 H new ATOM 1743 N ASN A 117 11.136 7.271 -4.536 1.00 0.00 N ATOM 1744 CA ASN A 117 11.515 8.387 -5.400 1.00 0.00 C ATOM 1745 C ASN A 117 10.579 9.602 -5.250 1.00 0.00 C ATOM 1746 O ASN A 117 10.494 10.458 -6.139 1.00 0.00 O ATOM 1747 CB ASN A 117 11.662 7.922 -6.853 1.00 0.00 C ATOM 1748 CG ASN A 117 13.008 7.264 -7.145 1.00 0.00 C ATOM 1749 OD1 ASN A 117 13.544 6.508 -6.336 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.583 7.530 -8.304 1.00 0.00 N ATOM 0 H ASN A 117 10.606 6.545 -5.018 1.00 0.00 H new ATOM 0 HA ASN A 117 12.492 8.740 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.863 7.217 -7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.533 8.778 -7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.481 7.107 -8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.129 8.158 -8.966 1.00 0.00 H new ATOM 1757 N SER A 118 9.885 9.720 -4.117 1.00 0.00 N ATOM 1758 CA SER A 118 9.035 10.846 -3.758 1.00 0.00 C ATOM 1759 C SER A 118 9.396 11.369 -2.358 1.00 0.00 C ATOM 1760 O SER A 118 8.657 12.210 -1.828 1.00 0.00 O ATOM 1761 CB SER A 118 7.570 10.418 -3.924 1.00 0.00 C ATOM 1762 OG SER A 118 6.667 11.510 -3.830 1.00 0.00 O ATOM 0 H SER A 118 9.904 8.999 -3.396 1.00 0.00 H new ATOM 0 HA SER A 118 9.197 11.696 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.445 9.931 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.322 9.680 -3.161 1.00 0.00 H new ATOM 0 HG SER A 118 6.981 12.136 -3.145 1.00 0.00 H new ATOM 1768 N SER A 119 10.532 10.931 -1.794 1.00 0.00 N ATOM 1769 CA SER A 119 11.091 11.358 -0.519 1.00 0.00 C ATOM 1770 C SER A 119 10.106 11.065 0.623 1.00 0.00 C ATOM 1771 O SER A 119 9.671 11.975 1.335 1.00 0.00 O ATOM 1772 CB SER A 119 11.547 12.828 -0.635 1.00 0.00 C ATOM 1773 OG SER A 119 12.499 13.200 0.352 1.00 0.00 O ATOM 0 H SER A 119 11.113 10.227 -2.250 1.00 0.00 H new ATOM 0 HA SER A 119 11.983 10.785 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.976 12.991 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.676 13.479 -0.554 1.00 0.00 H new ATOM 0 HG SER A 119 12.750 14.139 0.227 1.00 0.00 H new ATOM 1779 N LEU A 120 9.680 9.806 0.750 1.00 0.00 N ATOM 1780 CA LEU A 120 8.692 9.362 1.731 1.00 0.00 C ATOM 1781 C LEU A 120 9.302 8.341 2.701 1.00 0.00 C ATOM 1782 O LEU A 120 10.290 7.688 2.360 1.00 0.00 O ATOM 1783 CB LEU A 120 7.477 8.783 0.991 1.00 0.00 C ATOM 1784 CG LEU A 120 6.638 9.834 0.249 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.522 9.127 -0.519 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.021 10.842 1.224 1.00 0.00 C ATOM 0 H LEU A 120 10.022 9.050 0.158 1.00 0.00 H new ATOM 0 HA LEU A 120 8.367 10.212 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.822 8.037 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.840 8.265 1.709 1.00 0.00 H new ATOM 0 HG LEU A 120 7.289 10.377 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.921 9.866 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.958 8.432 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.890 8.579 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.433 11.573 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.376 10.318 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.814 11.353 1.769 1.00 0.00 H new ATOM 1798 N PRO A 121 8.744 8.199 3.914 1.00 0.00 N ATOM 1799 CA PRO A 121 9.379 7.442 4.988 1.00 0.00 C ATOM 1800 C PRO A 121 9.321 5.928 4.763 1.00 0.00 C ATOM 1801 O PRO A 121 8.380 5.409 4.143 1.00 0.00 O ATOM 1802 CB PRO A 121 8.621 7.853 6.255 1.00 0.00 C ATOM 1803 CG PRO A 121 7.241 8.230 5.736 1.00 0.00 C ATOM 1804 CD PRO A 121 7.577 8.910 4.420 1.00 0.00 C ATOM 0 HA PRO A 121 10.444 7.664 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.570 7.036 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.104 8.691 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.605 7.356 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.716 8.898 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.744 8.849 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.793 9.968 4.567 1.00 0.00 H new ATOM 1812 N TRP A 122 10.293 5.208 5.337 1.00 0.00 N ATOM 1813 CA TRP A 122 10.473 3.772 5.157 1.00 0.00 C ATOM 1814 C TRP A 122 10.863 3.106 6.480 1.00 0.00 C ATOM 1815 O TRP A 122 11.523 3.720 7.317 1.00 0.00 O ATOM 1816 CB TRP A 122 11.534 3.538 4.076 1.00 0.00 C ATOM 1817 CG TRP A 122 11.347 2.266 3.318 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.156 1.186 3.357 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.295 1.951 2.363 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.698 0.242 2.457 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.489 0.620 1.896 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.197 2.668 1.842 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.576 0.009 1.021 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.302 2.075 0.933 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.480 0.741 0.538 1.00 0.00 C ATOM 0 H TRP A 122 10.991 5.624 5.954 1.00 0.00 H new ATOM 0 HA TRP A 122 9.535 3.320 4.836 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.518 4.374 3.376 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.519 3.532 4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.024 1.077 3.991 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.189 -0.624 2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.041 3.692 2.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.717 -1.019 0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.476 2.648 0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.775 0.278 -0.137 1.00 0.00 H new ATOM 1836 N ILE A 123 10.428 1.863 6.694 1.00 0.00 N ATOM 1837 CA ILE A 123 10.666 1.084 7.909 1.00 0.00 C ATOM 1838 C ILE A 123 12.041 0.434 7.840 1.00 0.00 C ATOM 1839 O ILE A 123 12.650 0.253 8.892 1.00 0.00 O ATOM 1840 CB ILE A 123 9.546 0.021 8.126 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.203 0.726 8.399 1.00 0.00 C ATOM 1842 CG2 ILE A 123 9.853 -0.943 9.290 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.009 -0.208 8.610 1.00 0.00 C ATOM 0 H ILE A 123 9.881 1.353 6.000 1.00 0.00 H new ATOM 0 HA ILE A 123 10.640 1.755 8.767 1.00 0.00 H new ATOM 0 HB ILE A 123 9.493 -0.571 7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.314 1.354 9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.982 1.389 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.038 -1.660 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.782 -1.476 9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.956 -0.375 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.112 0.384 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.863 -0.819 7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.200 -0.855 9.466 1.00 0.00 H new ATOM 1855 N GLU A 124 12.489 0.079 6.631 1.00 0.00 N ATOM 1856 CA GLU A 124 13.638 -0.778 6.343 1.00 0.00 C ATOM 1857 C GLU A 124 13.494 -2.198 6.915 1.00 0.00 C ATOM 1858 O GLU A 124 12.736 -2.453 7.856 1.00 0.00 O ATOM 1859 CB GLU A 124 14.932 -0.133 6.859 1.00 0.00 C ATOM 1860 CG GLU A 124 15.498 0.919 5.916 1.00 0.00 C ATOM 1861 CD GLU A 124 16.570 1.676 6.691 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.595 1.044 7.035 1.00 0.00 O ATOM 1863 OE2 GLU A 124 16.300 2.814 7.130 1.00 0.00 O ATOM 0 H GLU A 124 12.031 0.403 5.779 1.00 0.00 H new ATOM 0 HA GLU A 124 13.682 -0.877 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.740 0.325 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.680 -0.910 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.921 0.453 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.714 1.597 5.578 1.00 0.00 H new ATOM 1870 N PRO A 125 14.274 -3.153 6.393 1.00 0.00 N ATOM 1871 CA PRO A 125 14.489 -4.416 7.066 1.00 0.00 C ATOM 1872 C PRO A 125 15.505 -4.280 8.206 1.00 0.00 C ATOM 1873 O PRO A 125 16.159 -3.261 8.405 1.00 0.00 O ATOM 1874 CB PRO A 125 15.028 -5.316 5.970 1.00 0.00 C ATOM 1875 CG PRO A 125 15.990 -4.352 5.289 1.00 0.00 C ATOM 1876 CD PRO A 125 15.201 -3.048 5.272 1.00 0.00 C ATOM 0 HA PRO A 125 13.581 -4.801 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.532 -6.198 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.246 -5.669 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.924 -4.253 5.843 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.249 -4.682 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.860 -2.187 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.668 -2.921 4.330 1.00 0.00 H new