USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 611 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.0896 USER MOD Set 2.2: A 14 GLN : amide:sc= -3.3! C(o=-3.2!,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0729 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0.0193 (180deg=-0.0252) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= -2.93 (180deg=-2.99) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 25 CYS SG : rot -94:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc=0.000978 X(o=0.00098,f=-0.12) USER MOD Single : A 33 TYR OH : rot 118:sc= 0.0201 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.018 (180deg=-0.19) USER MOD Single : A 38 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 40 THR OG1 : rot -80:sc= 1.06 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 175:sc= 0.98 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.87 K(o=-2.9,f=-1.9) USER MOD Single : A 62 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.41) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.161 (180deg=-0.848) USER MOD Single : A 69 ASN : amide:sc= -0.0554 K(o=-0.055,f=-0.82) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.569 -13.433 10.248 1.00 0.00 N ATOM 2 CA GLY A 1 15.244 -14.040 9.116 1.00 0.00 C ATOM 3 C GLY A 1 15.083 -13.232 7.844 1.00 0.00 C ATOM 4 O GLY A 1 14.206 -12.373 7.753 1.00 0.00 O ATOM 0 H1 GLY A 1 15.275 -13.067 10.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.969 -12.651 9.916 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.978 -14.145 10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.305 -14.146 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.850 -15.044 8.957 1.00 0.00 H new ATOM 8 N SER A 2 15.933 -13.506 6.859 1.00 0.00 N ATOM 9 CA SER A 2 15.885 -12.794 5.588 1.00 0.00 C ATOM 10 C SER A 2 16.591 -13.588 4.493 1.00 0.00 C ATOM 11 O SER A 2 17.201 -14.624 4.758 1.00 0.00 O ATOM 12 CB SER A 2 16.530 -11.413 5.728 1.00 0.00 C ATOM 13 OG SER A 2 17.896 -11.522 6.087 1.00 0.00 O ATOM 0 H SER A 2 16.663 -14.216 6.917 1.00 0.00 H new ATOM 0 HA SER A 2 14.839 -12.672 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.440 -10.869 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.997 -10.834 6.483 1.00 0.00 H new ATOM 0 HG SER A 2 18.285 -10.626 6.168 1.00 0.00 H new ATOM 19 N SER A 3 16.503 -13.095 3.262 1.00 0.00 N ATOM 20 CA SER A 3 17.129 -13.760 2.125 1.00 0.00 C ATOM 21 C SER A 3 18.215 -12.881 1.513 1.00 0.00 C ATOM 22 O SER A 3 18.326 -11.698 1.832 1.00 0.00 O ATOM 23 CB SER A 3 16.079 -14.105 1.067 1.00 0.00 C ATOM 24 OG SER A 3 15.388 -12.945 0.637 1.00 0.00 O ATOM 0 H SER A 3 16.004 -12.237 3.026 1.00 0.00 H new ATOM 0 HA SER A 3 17.590 -14.681 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.561 -14.582 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.369 -14.824 1.476 1.00 0.00 H new ATOM 0 HG SER A 3 14.724 -13.192 -0.040 1.00 0.00 H new ATOM 30 N GLY A 4 19.016 -13.469 0.629 1.00 0.00 N ATOM 31 CA GLY A 4 20.083 -12.726 -0.015 1.00 0.00 C ATOM 32 C GLY A 4 20.700 -11.687 0.900 1.00 0.00 C ATOM 33 O GLY A 4 21.024 -11.977 2.052 1.00 0.00 O ATOM 0 H GLY A 4 18.945 -14.447 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.856 -13.419 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.693 -12.235 -0.906 1.00 0.00 H new ATOM 37 N SER A 5 20.864 -10.472 0.387 1.00 0.00 N ATOM 38 CA SER A 5 21.451 -9.387 1.164 1.00 0.00 C ATOM 39 C SER A 5 20.367 -8.559 1.848 1.00 0.00 C ATOM 40 O SER A 5 19.278 -8.373 1.305 1.00 0.00 O ATOM 41 CB SER A 5 22.302 -8.489 0.264 1.00 0.00 C ATOM 42 OG SER A 5 22.965 -7.490 1.020 1.00 0.00 O ATOM 0 H SER A 5 20.599 -10.214 -0.564 1.00 0.00 H new ATOM 0 HA SER A 5 22.087 -9.827 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.036 -9.094 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.669 -8.019 -0.489 1.00 0.00 H new ATOM 0 HG SER A 5 23.503 -6.931 0.422 1.00 0.00 H new ATOM 48 N SER A 6 20.674 -8.066 3.044 1.00 0.00 N ATOM 49 CA SER A 6 19.725 -7.262 3.805 1.00 0.00 C ATOM 50 C SER A 6 19.171 -6.124 2.953 1.00 0.00 C ATOM 51 O SER A 6 19.821 -5.661 2.017 1.00 0.00 O ATOM 52 CB SER A 6 20.394 -6.696 5.059 1.00 0.00 C ATOM 53 OG SER A 6 19.434 -6.160 5.952 1.00 0.00 O ATOM 0 H SER A 6 21.572 -8.209 3.506 1.00 0.00 H new ATOM 0 HA SER A 6 18.898 -7.906 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.961 -7.482 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.105 -5.920 4.777 1.00 0.00 H new ATOM 0 HG SER A 6 19.887 -5.806 6.746 1.00 0.00 H new ATOM 59 N GLY A 7 17.963 -5.678 3.285 1.00 0.00 N ATOM 60 CA GLY A 7 17.341 -4.599 2.541 1.00 0.00 C ATOM 61 C GLY A 7 16.147 -5.065 1.731 1.00 0.00 C ATOM 62 O GLY A 7 15.870 -6.262 1.653 1.00 0.00 O ATOM 0 H GLY A 7 17.405 -6.045 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.024 -3.820 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.077 -4.151 1.873 1.00 0.00 H new ATOM 66 N LYS A 8 15.437 -4.118 1.128 1.00 0.00 N ATOM 67 CA LYS A 8 14.266 -4.437 0.320 1.00 0.00 C ATOM 68 C LYS A 8 14.676 -4.877 -1.082 1.00 0.00 C ATOM 69 O LYS A 8 14.097 -5.806 -1.645 1.00 0.00 O ATOM 70 CB LYS A 8 13.335 -3.226 0.234 1.00 0.00 C ATOM 71 CG LYS A 8 12.787 -2.783 1.579 1.00 0.00 C ATOM 72 CD LYS A 8 11.632 -3.662 2.028 1.00 0.00 C ATOM 73 CE LYS A 8 11.063 -3.198 3.360 1.00 0.00 C ATOM 74 NZ LYS A 8 10.314 -1.917 3.228 1.00 0.00 N ATOM 0 H LYS A 8 15.652 -3.123 1.184 1.00 0.00 H new ATOM 0 HA LYS A 8 13.737 -5.260 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.875 -2.395 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.502 -3.465 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.581 -2.815 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.453 -1.747 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.847 -3.648 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.972 -4.694 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.401 -3.966 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.874 -3.072 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.802 -1.721 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.981 -1.143 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.635 -1.991 2.444 1.00 0.00 H new ATOM 88 N ARG A 9 15.678 -4.204 -1.639 1.00 0.00 N ATOM 89 CA ARG A 9 16.165 -4.526 -2.975 1.00 0.00 C ATOM 90 C ARG A 9 15.004 -4.720 -3.945 1.00 0.00 C ATOM 91 O ARG A 9 14.918 -5.737 -4.634 1.00 0.00 O ATOM 92 CB ARG A 9 17.027 -5.790 -2.936 1.00 0.00 C ATOM 93 CG ARG A 9 18.295 -5.637 -2.112 1.00 0.00 C ATOM 94 CD ARG A 9 19.441 -5.090 -2.948 1.00 0.00 C ATOM 95 NE ARG A 9 20.456 -4.437 -2.126 1.00 0.00 N ATOM 96 CZ ARG A 9 20.319 -3.217 -1.620 1.00 0.00 C ATOM 97 NH1 ARG A 9 19.214 -2.520 -1.851 1.00 0.00 N ATOM 98 NH2 ARG A 9 21.287 -2.690 -0.881 1.00 0.00 N ATOM 0 H ARG A 9 16.168 -3.433 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 9 16.772 -3.691 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.436 -6.610 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.297 -6.067 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.105 -4.969 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.577 -6.603 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.899 -5.903 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.051 -4.378 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 9 21.318 -4.946 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.467 -2.921 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.111 -1.583 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.138 -3.222 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.180 -1.753 -0.493 1.00 0.00 H new ATOM 112 N LYS A 10 14.111 -3.738 -3.994 1.00 0.00 N ATOM 113 CA LYS A 10 12.954 -3.798 -4.880 1.00 0.00 C ATOM 114 C LYS A 10 13.111 -2.829 -6.047 1.00 0.00 C ATOM 115 O LYS A 10 13.892 -1.879 -5.979 1.00 0.00 O ATOM 116 CB LYS A 10 11.675 -3.476 -4.105 1.00 0.00 C ATOM 117 CG LYS A 10 11.392 -4.443 -2.968 1.00 0.00 C ATOM 118 CD LYS A 10 10.351 -3.889 -2.010 1.00 0.00 C ATOM 119 CE LYS A 10 8.942 -4.274 -2.434 1.00 0.00 C ATOM 120 NZ LYS A 10 8.766 -4.193 -3.911 1.00 0.00 N ATOM 0 H LYS A 10 14.166 -2.890 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 10 12.885 -4.810 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.749 -2.466 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.831 -3.483 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.044 -5.393 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.315 -4.648 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.545 -4.263 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.435 -2.803 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.726 -5.288 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.223 -3.616 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.803 -4.495 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.914 -3.213 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.457 -4.814 -4.378 1.00 0.00 H new ATOM 134 N THR A 11 12.363 -3.073 -7.119 1.00 0.00 N ATOM 135 CA THR A 11 12.419 -2.223 -8.301 1.00 0.00 C ATOM 136 C THR A 11 11.237 -1.262 -8.343 1.00 0.00 C ATOM 137 O THR A 11 10.130 -1.603 -7.925 1.00 0.00 O ATOM 138 CB THR A 11 12.434 -3.058 -9.595 1.00 0.00 C ATOM 139 OG1 THR A 11 11.127 -3.584 -9.853 1.00 0.00 O ATOM 140 CG2 THR A 11 13.433 -4.200 -9.490 1.00 0.00 C ATOM 0 H THR A 11 11.711 -3.854 -7.192 1.00 0.00 H new ATOM 0 HA THR A 11 13.346 -1.653 -8.236 1.00 0.00 H new ATOM 0 HB THR A 11 12.733 -2.408 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.144 -4.112 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.426 -4.776 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.431 -3.796 -9.322 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.159 -4.848 -8.658 1.00 0.00 H new ATOM 148 N LYS A 12 11.477 -0.057 -8.851 1.00 0.00 N ATOM 149 CA LYS A 12 10.431 0.954 -8.950 1.00 0.00 C ATOM 150 C LYS A 12 9.139 0.349 -9.490 1.00 0.00 C ATOM 151 O LYS A 12 8.047 0.690 -9.036 1.00 0.00 O ATOM 152 CB LYS A 12 10.887 2.101 -9.856 1.00 0.00 C ATOM 153 CG LYS A 12 9.774 3.070 -10.216 1.00 0.00 C ATOM 154 CD LYS A 12 9.471 4.021 -9.070 1.00 0.00 C ATOM 155 CE LYS A 12 8.472 5.091 -9.483 1.00 0.00 C ATOM 156 NZ LYS A 12 8.373 6.178 -8.470 1.00 0.00 N ATOM 0 H LYS A 12 12.387 0.243 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 12 10.239 1.342 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.688 2.649 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.306 1.685 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.060 3.642 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.874 2.512 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.075 3.459 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.394 4.494 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.769 5.515 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.491 4.637 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.682 6.887 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.065 5.778 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.303 6.629 -8.352 1.00 0.00 H new ATOM 170 N GLU A 13 9.271 -0.551 -10.459 1.00 0.00 N ATOM 171 CA GLU A 13 8.113 -1.203 -11.058 1.00 0.00 C ATOM 172 C GLU A 13 7.331 -1.992 -10.012 1.00 0.00 C ATOM 173 O GLU A 13 6.139 -1.761 -9.808 1.00 0.00 O ATOM 174 CB GLU A 13 8.552 -2.133 -12.191 1.00 0.00 C ATOM 175 CG GLU A 13 8.648 -1.444 -13.541 1.00 0.00 C ATOM 176 CD GLU A 13 9.568 -2.171 -14.503 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.743 -2.394 -14.145 1.00 0.00 O ATOM 178 OE2 GLU A 13 9.113 -2.517 -15.613 1.00 0.00 O ATOM 0 H GLU A 13 10.168 -0.845 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 13 7.463 -0.428 -11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.522 -2.562 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.847 -2.961 -12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.653 -1.373 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.008 -0.425 -13.400 1.00 0.00 H new ATOM 185 N GLN A 14 8.011 -2.925 -9.353 1.00 0.00 N ATOM 186 CA GLN A 14 7.380 -3.749 -8.329 1.00 0.00 C ATOM 187 C GLN A 14 6.726 -2.882 -7.258 1.00 0.00 C ATOM 188 O GLN A 14 5.554 -3.064 -6.926 1.00 0.00 O ATOM 189 CB GLN A 14 8.409 -4.682 -7.688 1.00 0.00 C ATOM 190 CG GLN A 14 8.957 -5.731 -8.643 1.00 0.00 C ATOM 191 CD GLN A 14 10.127 -6.498 -8.059 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.052 -5.909 -7.499 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.091 -7.819 -8.185 1.00 0.00 N ATOM 0 H GLN A 14 8.998 -3.129 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 14 6.606 -4.348 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.236 -4.087 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.951 -5.183 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.162 -6.430 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.270 -5.247 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.304 -8.265 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.850 -8.388 -7.810 1.00 0.00 H new ATOM 202 N LEU A 15 7.492 -1.939 -6.720 1.00 0.00 N ATOM 203 CA LEU A 15 6.988 -1.042 -5.685 1.00 0.00 C ATOM 204 C LEU A 15 5.755 -0.287 -6.172 1.00 0.00 C ATOM 205 O LEU A 15 4.821 -0.046 -5.409 1.00 0.00 O ATOM 206 CB LEU A 15 8.075 -0.051 -5.267 1.00 0.00 C ATOM 207 CG LEU A 15 9.008 -0.511 -4.146 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.882 0.640 -3.673 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.205 -1.084 -2.987 1.00 0.00 C ATOM 0 H LEU A 15 8.464 -1.776 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 15 6.705 -1.645 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.680 0.184 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.593 0.875 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 15 9.656 -1.295 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.539 0.294 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.483 1.006 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.251 1.446 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.884 -1.407 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.533 -0.320 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.622 -1.937 -3.335 1.00 0.00 H new ATOM 221 N ALA A 16 5.760 0.082 -7.449 1.00 0.00 N ATOM 222 CA ALA A 16 4.641 0.806 -8.039 1.00 0.00 C ATOM 223 C ALA A 16 3.326 0.070 -7.804 1.00 0.00 C ATOM 224 O ALA A 16 2.307 0.686 -7.492 1.00 0.00 O ATOM 225 CB ALA A 16 4.873 1.013 -9.529 1.00 0.00 C ATOM 0 H ALA A 16 6.527 -0.109 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 16 4.574 1.780 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.030 1.555 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.787 1.588 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.969 0.045 -10.020 1.00 0.00 H new ATOM 231 N ILE A 17 3.356 -1.249 -7.957 1.00 0.00 N ATOM 232 CA ILE A 17 2.167 -2.068 -7.761 1.00 0.00 C ATOM 233 C ILE A 17 1.769 -2.116 -6.289 1.00 0.00 C ATOM 234 O ILE A 17 0.592 -2.264 -5.957 1.00 0.00 O ATOM 235 CB ILE A 17 2.382 -3.505 -8.270 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.358 -3.537 -9.800 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.321 -4.434 -7.700 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.179 -4.660 -10.394 1.00 0.00 C ATOM 0 H ILE A 17 4.191 -1.774 -8.216 1.00 0.00 H new ATOM 0 HA ILE A 17 1.366 -1.604 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 17 3.359 -3.851 -7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.326 -3.635 -10.137 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.729 -2.586 -10.181 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.487 -5.446 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.381 -4.431 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.334 -4.092 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.116 -4.621 -11.481 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.219 -4.552 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.794 -5.617 -10.042 1.00 0.00 H new ATOM 250 N LEU A 18 2.757 -1.990 -5.411 1.00 0.00 N ATOM 251 CA LEU A 18 2.511 -2.017 -3.973 1.00 0.00 C ATOM 252 C LEU A 18 1.907 -0.699 -3.499 1.00 0.00 C ATOM 253 O LEU A 18 0.873 -0.682 -2.830 1.00 0.00 O ATOM 254 CB LEU A 18 3.812 -2.295 -3.218 1.00 0.00 C ATOM 255 CG LEU A 18 4.134 -3.766 -2.955 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.546 -3.914 -2.410 1.00 0.00 C ATOM 257 CD2 LEU A 18 3.123 -4.369 -1.992 1.00 0.00 C ATOM 0 H LEU A 18 3.736 -1.868 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 18 1.800 -2.817 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.636 -1.859 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.771 -1.776 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 18 4.073 -4.306 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.757 -4.968 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.259 -3.520 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.635 -3.360 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.368 -5.417 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.152 -3.826 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.124 -4.297 -2.421 1.00 0.00 H new ATOM 269 N LYS A 19 2.556 0.405 -3.852 1.00 0.00 N ATOM 270 CA LYS A 19 2.082 1.729 -3.467 1.00 0.00 C ATOM 271 C LYS A 19 0.577 1.852 -3.683 1.00 0.00 C ATOM 272 O LYS A 19 -0.130 2.445 -2.868 1.00 0.00 O ATOM 273 CB LYS A 19 2.813 2.808 -4.269 1.00 0.00 C ATOM 274 CG LYS A 19 4.274 2.966 -3.885 1.00 0.00 C ATOM 275 CD LYS A 19 4.886 4.205 -4.517 1.00 0.00 C ATOM 276 CE LYS A 19 6.386 4.273 -4.272 1.00 0.00 C ATOM 277 NZ LYS A 19 7.036 5.325 -5.102 1.00 0.00 N ATOM 0 H LYS A 19 3.413 0.409 -4.405 1.00 0.00 H new ATOM 0 HA LYS A 19 2.292 1.869 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.749 2.566 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.304 3.761 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.361 3.029 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.831 2.083 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.691 4.202 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.409 5.096 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.573 4.475 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.835 3.305 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.062 5.317 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.851 5.137 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.650 6.256 -4.847 1.00 0.00 H new ATOM 291 N SER A 20 0.094 1.286 -4.784 1.00 0.00 N ATOM 292 CA SER A 20 -1.327 1.334 -5.108 1.00 0.00 C ATOM 293 C SER A 20 -2.137 0.493 -4.126 1.00 0.00 C ATOM 294 O SER A 20 -3.224 0.887 -3.702 1.00 0.00 O ATOM 295 CB SER A 20 -1.564 0.840 -6.536 1.00 0.00 C ATOM 296 OG SER A 20 -2.823 1.271 -7.023 1.00 0.00 O ATOM 0 H SER A 20 0.666 0.789 -5.467 1.00 0.00 H new ATOM 0 HA SER A 20 -1.657 2.370 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.773 1.210 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.515 -0.249 -6.560 1.00 0.00 H new ATOM 0 HG SER A 20 -2.949 0.943 -7.938 1.00 0.00 H new ATOM 302 N PHE A 21 -1.599 -0.668 -3.767 1.00 0.00 N ATOM 303 CA PHE A 21 -2.271 -1.567 -2.836 1.00 0.00 C ATOM 304 C PHE A 21 -2.370 -0.938 -1.449 1.00 0.00 C ATOM 305 O PHE A 21 -3.445 -0.895 -0.850 1.00 0.00 O ATOM 306 CB PHE A 21 -1.525 -2.899 -2.752 1.00 0.00 C ATOM 307 CG PHE A 21 -2.405 -4.058 -2.380 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.783 -4.263 -1.063 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.856 -4.941 -3.347 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.594 -5.328 -0.717 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.667 -6.007 -3.008 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.036 -6.202 -1.691 1.00 0.00 C ATOM 0 H PHE A 21 -0.699 -1.008 -4.107 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.280 -1.747 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.055 -3.104 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.724 -2.812 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.440 -3.583 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.570 -4.795 -4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.881 -5.476 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.012 -6.688 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.668 -7.036 -1.424 1.00 0.00 H new ATOM 322 N PHE A 22 -1.241 -0.452 -0.945 1.00 0.00 N ATOM 323 CA PHE A 22 -1.199 0.174 0.372 1.00 0.00 C ATOM 324 C PHE A 22 -2.320 1.198 0.524 1.00 0.00 C ATOM 325 O PHE A 22 -3.081 1.164 1.492 1.00 0.00 O ATOM 326 CB PHE A 22 0.156 0.847 0.597 1.00 0.00 C ATOM 327 CG PHE A 22 0.325 1.407 1.981 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.419 0.565 3.077 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.388 2.776 2.185 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.574 1.078 4.351 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.543 3.295 3.457 1.00 0.00 C ATOM 332 CZ PHE A 22 0.637 2.445 4.541 1.00 0.00 C ATOM 0 H PHE A 22 -0.343 -0.479 -1.428 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.339 -0.605 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.948 0.123 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.278 1.651 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.371 -0.504 2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.315 3.445 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.646 0.411 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.591 4.364 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.760 2.848 5.535 1.00 0.00 H new ATOM 342 N LEU A 23 -2.416 2.108 -0.439 1.00 0.00 N ATOM 343 CA LEU A 23 -3.443 3.144 -0.413 1.00 0.00 C ATOM 344 C LEU A 23 -4.827 2.533 -0.220 1.00 0.00 C ATOM 345 O LEU A 23 -5.560 2.911 0.694 1.00 0.00 O ATOM 346 CB LEU A 23 -3.408 3.956 -1.709 1.00 0.00 C ATOM 347 CG LEU A 23 -2.064 4.591 -2.067 1.00 0.00 C ATOM 348 CD1 LEU A 23 -1.913 4.706 -3.576 1.00 0.00 C ATOM 349 CD2 LEU A 23 -1.928 5.957 -1.410 1.00 0.00 C ATOM 0 H LEU A 23 -1.795 2.150 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.237 3.805 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.710 3.306 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.154 4.748 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.268 3.948 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.951 5.160 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.965 3.714 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.715 5.327 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.966 6.394 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.730 6.609 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.990 5.848 -0.327 1.00 0.00 H new ATOM 361 N GLN A 24 -5.177 1.586 -1.084 1.00 0.00 N ATOM 362 CA GLN A 24 -6.473 0.922 -1.007 1.00 0.00 C ATOM 363 C GLN A 24 -6.647 0.225 0.338 1.00 0.00 C ATOM 364 O GLN A 24 -7.748 0.183 0.889 1.00 0.00 O ATOM 365 CB GLN A 24 -6.619 -0.091 -2.143 1.00 0.00 C ATOM 366 CG GLN A 24 -6.811 0.549 -3.508 1.00 0.00 C ATOM 367 CD GLN A 24 -8.131 1.285 -3.627 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.200 0.672 -3.618 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.065 2.606 -3.740 1.00 0.00 N ATOM 0 H GLN A 24 -4.581 1.261 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.249 1.681 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.733 -0.725 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.469 -0.740 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.993 1.244 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.758 -0.222 -4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.158 3.073 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.921 3.154 -3.824 1.00 0.00 H new ATOM 378 N CYS A 25 -5.555 -0.322 0.861 1.00 0.00 N ATOM 379 CA CYS A 25 -5.588 -1.020 2.142 1.00 0.00 C ATOM 380 C CYS A 25 -4.221 -0.979 2.818 1.00 0.00 C ATOM 381 O CYS A 25 -3.245 -1.516 2.297 1.00 0.00 O ATOM 382 CB CYS A 25 -6.030 -2.470 1.945 1.00 0.00 C ATOM 383 SG CYS A 25 -6.833 -3.200 3.392 1.00 0.00 S ATOM 0 H CYS A 25 -4.636 -0.296 0.418 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.307 -0.514 2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.716 -2.518 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.159 -3.072 1.684 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.950 -3.834 4.104 1.00 0.00 H new ATOM 389 N GLN A 26 -4.161 -0.337 3.980 1.00 0.00 N ATOM 390 CA GLN A 26 -2.913 -0.225 4.726 1.00 0.00 C ATOM 391 C GLN A 26 -2.455 -1.589 5.230 1.00 0.00 C ATOM 392 O GLN A 26 -1.285 -1.778 5.563 1.00 0.00 O ATOM 393 CB GLN A 26 -3.083 0.737 5.904 1.00 0.00 C ATOM 394 CG GLN A 26 -3.126 2.200 5.493 1.00 0.00 C ATOM 395 CD GLN A 26 -4.501 2.634 5.025 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.384 2.919 5.834 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.690 2.687 3.711 1.00 0.00 N ATOM 0 H GLN A 26 -4.961 0.113 4.425 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.151 0.167 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.003 0.490 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.261 0.589 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.821 2.820 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.404 2.371 4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.930 2.442 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.595 2.973 3.337 1.00 0.00 H new ATOM 406 N TRP A 27 -3.385 -2.536 5.285 1.00 0.00 N ATOM 407 CA TRP A 27 -3.076 -3.884 5.749 1.00 0.00 C ATOM 408 C TRP A 27 -3.683 -4.931 4.822 1.00 0.00 C ATOM 409 O TRP A 27 -4.871 -4.880 4.506 1.00 0.00 O ATOM 410 CB TRP A 27 -3.593 -4.085 7.174 1.00 0.00 C ATOM 411 CG TRP A 27 -3.196 -2.985 8.111 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.644 -1.695 8.097 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.269 -3.078 9.198 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.052 -0.980 9.110 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.205 -1.806 9.801 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.489 -4.111 9.723 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.390 -1.543 10.899 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.681 -3.849 10.813 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.637 -2.574 11.392 1.00 0.00 C ATOM 0 H TRP A 27 -4.358 -2.396 5.014 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.993 -4.005 5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.680 -4.158 7.151 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.218 -5.033 7.559 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.359 -1.295 7.393 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.216 0.006 9.314 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.517 -5.098 9.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.353 -0.560 11.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.073 -4.641 11.226 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.004 -2.401 12.244 1.00 0.00 H new ATOM 430 N ALA A 28 -2.860 -5.881 4.390 1.00 0.00 N ATOM 431 CA ALA A 28 -3.317 -6.942 3.501 1.00 0.00 C ATOM 432 C ALA A 28 -3.420 -8.272 4.241 1.00 0.00 C ATOM 433 O ALA A 28 -2.789 -8.465 5.280 1.00 0.00 O ATOM 434 CB ALA A 28 -2.382 -7.071 2.308 1.00 0.00 C ATOM 0 H ALA A 28 -1.873 -5.937 4.641 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.312 -6.678 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.736 -7.867 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.362 -6.130 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.377 -7.308 2.657 1.00 0.00 H new ATOM 440 N ARG A 29 -4.219 -9.185 3.699 1.00 0.00 N ATOM 441 CA ARG A 29 -4.405 -10.496 4.309 1.00 0.00 C ATOM 442 C ARG A 29 -3.788 -11.591 3.443 1.00 0.00 C ATOM 443 O ARG A 29 -3.460 -11.365 2.279 1.00 0.00 O ATOM 444 CB ARG A 29 -5.894 -10.777 4.520 1.00 0.00 C ATOM 445 CG ARG A 29 -6.517 -9.952 5.635 1.00 0.00 C ATOM 446 CD ARG A 29 -7.787 -10.599 6.163 1.00 0.00 C ATOM 447 NE ARG A 29 -7.529 -11.909 6.755 1.00 0.00 N ATOM 448 CZ ARG A 29 -8.377 -12.528 7.569 1.00 0.00 C ATOM 449 NH1 ARG A 29 -9.531 -11.959 7.886 1.00 0.00 N ATOM 450 NH2 ARG A 29 -8.070 -13.719 8.067 1.00 0.00 N ATOM 0 H ARG A 29 -4.748 -9.041 2.839 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.902 -10.494 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.428 -10.579 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.027 -11.835 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.800 -9.837 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.743 -8.952 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.243 -9.948 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.505 -10.704 5.350 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.649 -12.374 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.770 -11.044 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.180 -12.436 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.183 -14.160 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.721 -14.194 8.692 1.00 0.00 H new ATOM 464 N ARG A 30 -3.632 -12.777 4.022 1.00 0.00 N ATOM 465 CA ARG A 30 -3.053 -13.907 3.304 1.00 0.00 C ATOM 466 C ARG A 30 -3.748 -14.112 1.961 1.00 0.00 C ATOM 467 O ARG A 30 -3.130 -14.556 0.994 1.00 0.00 O ATOM 468 CB ARG A 30 -3.159 -15.181 4.145 1.00 0.00 C ATOM 469 CG ARG A 30 -4.586 -15.547 4.519 1.00 0.00 C ATOM 470 CD ARG A 30 -4.666 -16.950 5.100 1.00 0.00 C ATOM 471 NE ARG A 30 -4.368 -16.968 6.530 1.00 0.00 N ATOM 472 CZ ARG A 30 -3.136 -17.018 7.023 1.00 0.00 C ATOM 473 NH1 ARG A 30 -2.092 -17.054 6.205 1.00 0.00 N ATOM 474 NH2 ARG A 30 -2.945 -17.031 8.336 1.00 0.00 N ATOM 0 H ARG A 30 -3.898 -12.981 4.985 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.001 -13.688 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.713 -16.009 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.575 -15.054 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.969 -14.829 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.223 -15.480 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.664 -17.355 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.966 -17.600 4.576 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.149 -16.941 7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.235 -17.043 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.147 -17.092 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.745 -17.003 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.998 -17.069 8.713 1.00 0.00 H new ATOM 488 N GLU A 31 -5.035 -13.785 1.911 1.00 0.00 N ATOM 489 CA GLU A 31 -5.813 -13.935 0.687 1.00 0.00 C ATOM 490 C GLU A 31 -5.381 -12.913 -0.362 1.00 0.00 C ATOM 491 O GLU A 31 -5.522 -13.143 -1.563 1.00 0.00 O ATOM 492 CB GLU A 31 -7.306 -13.777 0.982 1.00 0.00 C ATOM 493 CG GLU A 31 -7.688 -12.388 1.464 1.00 0.00 C ATOM 494 CD GLU A 31 -9.173 -12.255 1.743 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.968 -12.353 0.785 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.539 -12.052 2.920 1.00 0.00 O ATOM 0 H GLU A 31 -5.561 -13.415 2.703 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.631 -14.935 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.872 -14.008 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.598 -14.507 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.130 -12.156 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.396 -11.654 0.713 1.00 0.00 H new ATOM 503 N ASP A 32 -4.855 -11.785 0.102 1.00 0.00 N ATOM 504 CA ASP A 32 -4.401 -10.728 -0.794 1.00 0.00 C ATOM 505 C ASP A 32 -2.931 -10.915 -1.154 1.00 0.00 C ATOM 506 O ASP A 32 -2.542 -10.774 -2.314 1.00 0.00 O ATOM 507 CB ASP A 32 -4.611 -9.358 -0.147 1.00 0.00 C ATOM 508 CG ASP A 32 -5.998 -8.802 -0.404 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.374 -8.668 -1.588 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.708 -8.503 0.578 1.00 0.00 O ATOM 0 H ASP A 32 -4.732 -11.579 1.093 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.990 -10.783 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.449 -9.438 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.866 -8.660 -0.531 1.00 0.00 H new ATOM 515 N TYR A 33 -2.117 -11.230 -0.152 1.00 0.00 N ATOM 516 CA TYR A 33 -0.689 -11.433 -0.362 1.00 0.00 C ATOM 517 C TYR A 33 -0.440 -12.413 -1.504 1.00 0.00 C ATOM 518 O TYR A 33 0.366 -12.150 -2.397 1.00 0.00 O ATOM 519 CB TYR A 33 -0.031 -11.948 0.919 1.00 0.00 C ATOM 520 CG TYR A 33 0.069 -10.905 2.010 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.519 -9.621 1.731 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.286 -11.205 3.319 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.613 -8.665 2.724 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.197 -10.255 4.318 1.00 0.00 C ATOM 525 CZ TYR A 33 0.253 -8.987 4.016 1.00 0.00 C ATOM 526 OH TYR A 33 0.344 -8.039 5.009 1.00 0.00 O ATOM 0 H TYR A 33 -2.422 -11.350 0.814 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.247 -10.473 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.600 -12.799 1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.969 -12.312 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.800 -9.365 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.637 -12.197 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.966 -7.672 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.478 -10.504 5.330 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.547 -7.864 5.377 1.00 0.00 H new ATOM 536 N GLN A 34 -1.138 -13.543 -1.468 1.00 0.00 N ATOM 537 CA GLN A 34 -0.993 -14.564 -2.500 1.00 0.00 C ATOM 538 C GLN A 34 -1.154 -13.958 -3.891 1.00 0.00 C ATOM 539 O GLN A 34 -0.686 -14.519 -4.882 1.00 0.00 O ATOM 540 CB GLN A 34 -2.021 -15.677 -2.293 1.00 0.00 C ATOM 541 CG GLN A 34 -3.460 -15.216 -2.463 1.00 0.00 C ATOM 542 CD GLN A 34 -4.406 -16.359 -2.774 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.199 -17.490 -2.331 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.453 -16.071 -3.538 1.00 0.00 N ATOM 0 H GLN A 34 -1.809 -13.775 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 34 0.009 -14.986 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.820 -16.482 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.897 -16.093 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.787 -14.716 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.509 -14.480 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.586 -15.121 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.124 -16.800 -3.779 1.00 0.00 H new ATOM 553 N LYS A 35 -1.819 -12.810 -3.957 1.00 0.00 N ATOM 554 CA LYS A 35 -2.042 -12.127 -5.226 1.00 0.00 C ATOM 555 C LYS A 35 -0.900 -11.163 -5.533 1.00 0.00 C ATOM 556 O LYS A 35 -0.417 -11.097 -6.664 1.00 0.00 O ATOM 557 CB LYS A 35 -3.370 -11.366 -5.193 1.00 0.00 C ATOM 558 CG LYS A 35 -3.669 -10.610 -6.476 1.00 0.00 C ATOM 559 CD LYS A 35 -3.116 -9.195 -6.431 1.00 0.00 C ATOM 560 CE LYS A 35 -4.132 -8.218 -5.860 1.00 0.00 C ATOM 561 NZ LYS A 35 -5.248 -7.959 -6.812 1.00 0.00 N ATOM 0 H LYS A 35 -2.213 -12.333 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.081 -12.880 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.179 -12.071 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.355 -10.662 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.237 -11.144 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.747 -10.576 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.211 -9.176 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.833 -8.882 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.534 -8.616 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.636 -7.278 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.744 -7.087 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.866 -7.852 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.914 -8.757 -6.791 1.00 0.00 H new ATOM 575 N LEU A 36 -0.471 -10.419 -4.519 1.00 0.00 N ATOM 576 CA LEU A 36 0.616 -9.460 -4.680 1.00 0.00 C ATOM 577 C LEU A 36 1.860 -10.137 -5.248 1.00 0.00 C ATOM 578 O LEU A 36 2.577 -9.555 -6.061 1.00 0.00 O ATOM 579 CB LEU A 36 0.946 -8.804 -3.339 1.00 0.00 C ATOM 580 CG LEU A 36 -0.025 -7.722 -2.863 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.173 -7.442 -1.382 1.00 0.00 C ATOM 582 CD2 LEU A 36 0.154 -6.449 -3.678 1.00 0.00 C ATOM 0 H LEU A 36 -0.859 -10.462 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 36 0.290 -8.693 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.992 -9.583 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.942 -8.366 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.043 -8.083 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.526 -6.670 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.007 -8.354 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.194 -7.101 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.545 -5.690 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.175 -6.084 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.039 -6.660 -4.730 1.00 0.00 H new ATOM 594 N GLU A 37 2.106 -11.369 -4.816 1.00 0.00 N ATOM 595 CA GLU A 37 3.262 -12.125 -5.283 1.00 0.00 C ATOM 596 C GLU A 37 3.093 -12.529 -6.745 1.00 0.00 C ATOM 597 O GLU A 37 4.021 -13.046 -7.367 1.00 0.00 O ATOM 598 CB GLU A 37 3.468 -13.371 -4.419 1.00 0.00 C ATOM 599 CG GLU A 37 4.543 -14.307 -4.946 1.00 0.00 C ATOM 600 CD GLU A 37 4.016 -15.269 -5.994 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.898 -15.794 -5.809 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.722 -15.495 -6.998 1.00 0.00 O ATOM 0 H GLU A 37 1.521 -11.865 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 37 4.140 -11.485 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.731 -13.062 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.526 -13.915 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.354 -13.718 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.964 -14.875 -4.116 1.00 0.00 H new ATOM 609 N GLN A 38 1.903 -12.290 -7.285 1.00 0.00 N ATOM 610 CA GLN A 38 1.612 -12.630 -8.673 1.00 0.00 C ATOM 611 C GLN A 38 1.688 -11.395 -9.564 1.00 0.00 C ATOM 612 O GLN A 38 1.913 -11.500 -10.770 1.00 0.00 O ATOM 613 CB GLN A 38 0.227 -13.269 -8.784 1.00 0.00 C ATOM 614 CG GLN A 38 -0.056 -13.874 -10.150 1.00 0.00 C ATOM 615 CD GLN A 38 0.605 -15.225 -10.338 1.00 0.00 C ATOM 616 OE1 GLN A 38 1.381 -15.424 -11.273 1.00 0.00 O ATOM 617 NE2 GLN A 38 0.300 -16.163 -9.449 1.00 0.00 N ATOM 0 H GLN A 38 1.125 -11.862 -6.783 1.00 0.00 H new ATOM 0 HA GLN A 38 2.362 -13.345 -9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.132 -14.046 -8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.530 -12.516 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.133 -13.979 -10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.294 -13.192 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.348 -15.954 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.714 -17.092 -9.525 1.00 0.00 H new ATOM 626 N ILE A 39 1.499 -10.225 -8.962 1.00 0.00 N ATOM 627 CA ILE A 39 1.547 -8.970 -9.701 1.00 0.00 C ATOM 628 C ILE A 39 2.922 -8.319 -9.591 1.00 0.00 C ATOM 629 O ILE A 39 3.389 -7.665 -10.524 1.00 0.00 O ATOM 630 CB ILE A 39 0.481 -7.979 -9.198 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.175 -8.232 -7.720 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.785 -8.094 -10.033 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.568 -7.096 -7.053 1.00 0.00 C ATOM 0 H ILE A 39 1.311 -10.121 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 39 1.344 -9.211 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 39 0.870 -6.966 -9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.416 -9.144 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.111 -8.405 -7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.529 -7.387 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.555 -7.870 -11.075 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.179 -9.107 -9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.751 -7.345 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.030 -6.187 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.520 -6.937 -7.560 1.00 0.00 H new ATOM 645 N THR A 40 3.568 -8.505 -8.444 1.00 0.00 N ATOM 646 CA THR A 40 4.890 -7.937 -8.211 1.00 0.00 C ATOM 647 C THR A 40 5.981 -8.985 -8.406 1.00 0.00 C ATOM 648 O THR A 40 7.154 -8.651 -8.568 1.00 0.00 O ATOM 649 CB THR A 40 5.007 -7.349 -6.792 1.00 0.00 C ATOM 650 OG1 THR A 40 4.693 -8.352 -5.819 1.00 0.00 O ATOM 651 CG2 THR A 40 4.074 -6.160 -6.621 1.00 0.00 C ATOM 0 H THR A 40 3.197 -9.045 -7.662 1.00 0.00 H new ATOM 0 HA THR A 40 5.023 -7.137 -8.940 1.00 0.00 H new ATOM 0 HB THR A 40 6.033 -7.010 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.720 -8.445 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.174 -5.761 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.334 -5.387 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.045 -6.479 -6.785 1.00 0.00 H new ATOM 659 N GLY A 41 5.585 -10.254 -8.391 1.00 0.00 N ATOM 660 CA GLY A 41 6.541 -11.331 -8.567 1.00 0.00 C ATOM 661 C GLY A 41 7.534 -11.418 -7.426 1.00 0.00 C ATOM 662 O GLY A 41 8.616 -11.987 -7.576 1.00 0.00 O ATOM 0 H GLY A 41 4.619 -10.555 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.006 -12.277 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.080 -11.185 -9.503 1.00 0.00 H new ATOM 666 N LEU A 42 7.168 -10.852 -6.281 1.00 0.00 N ATOM 667 CA LEU A 42 8.036 -10.867 -5.108 1.00 0.00 C ATOM 668 C LEU A 42 7.467 -11.774 -4.022 1.00 0.00 C ATOM 669 O LEU A 42 6.255 -11.864 -3.825 1.00 0.00 O ATOM 670 CB LEU A 42 8.213 -9.449 -4.563 1.00 0.00 C ATOM 671 CG LEU A 42 9.047 -8.498 -5.424 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.669 -7.053 -5.142 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.532 -8.721 -5.178 1.00 0.00 C ATOM 0 H LEU A 42 6.276 -10.377 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 42 9.008 -11.258 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.226 -9.009 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.675 -9.515 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 42 8.837 -8.708 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.272 -6.391 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.614 -6.902 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.850 -6.828 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.110 -8.036 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.758 -8.538 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.793 -9.749 -5.432 1.00 0.00 H new ATOM 685 N PRO A 43 8.362 -12.461 -3.296 1.00 0.00 N ATOM 686 CA PRO A 43 7.973 -13.371 -2.215 1.00 0.00 C ATOM 687 C PRO A 43 6.979 -12.734 -1.250 1.00 0.00 C ATOM 688 O PRO A 43 7.031 -11.531 -0.995 1.00 0.00 O ATOM 689 CB PRO A 43 9.296 -13.663 -1.503 1.00 0.00 C ATOM 690 CG PRO A 43 10.341 -13.450 -2.544 1.00 0.00 C ATOM 691 CD PRO A 43 9.822 -12.402 -3.475 1.00 0.00 C ATOM 0 HA PRO A 43 7.471 -14.261 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.443 -12.998 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.322 -14.683 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.279 -13.132 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.545 -14.376 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.215 -11.416 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.107 -12.608 -4.507 1.00 0.00 H new ATOM 699 N ARG A 44 6.074 -13.548 -0.717 1.00 0.00 N ATOM 700 CA ARG A 44 5.067 -13.063 0.219 1.00 0.00 C ATOM 701 C ARG A 44 5.721 -12.350 1.399 1.00 0.00 C ATOM 702 O ARG A 44 5.287 -11.280 1.827 1.00 0.00 O ATOM 703 CB ARG A 44 4.208 -14.224 0.724 1.00 0.00 C ATOM 704 CG ARG A 44 4.065 -15.357 -0.279 1.00 0.00 C ATOM 705 CD ARG A 44 2.823 -16.190 -0.005 1.00 0.00 C ATOM 706 NE ARG A 44 2.476 -17.045 -1.137 1.00 0.00 N ATOM 707 CZ ARG A 44 3.139 -18.152 -1.452 1.00 0.00 C ATOM 708 NH1 ARG A 44 4.177 -18.537 -0.723 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.763 -18.877 -2.498 1.00 0.00 N ATOM 0 H ARG A 44 6.017 -14.547 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 44 4.431 -12.351 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.645 -14.616 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.217 -13.848 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.014 -14.947 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.948 -15.994 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.988 -16.807 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.986 -15.529 0.220 1.00 0.00 H new ATOM 0 HE ARG A 44 1.681 -16.777 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.468 -17.983 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.684 -19.388 -0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.964 -18.584 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.273 -19.727 -2.739 1.00 0.00 H new ATOM 723 N PRO A 45 6.789 -12.954 1.939 1.00 0.00 N ATOM 724 CA PRO A 45 7.525 -12.394 3.076 1.00 0.00 C ATOM 725 C PRO A 45 8.166 -11.051 2.747 1.00 0.00 C ATOM 726 O PRO A 45 8.418 -10.239 3.637 1.00 0.00 O ATOM 727 CB PRO A 45 8.602 -13.447 3.355 1.00 0.00 C ATOM 728 CG PRO A 45 8.100 -14.685 2.696 1.00 0.00 C ATOM 729 CD PRO A 45 7.361 -14.231 1.480 1.00 0.00 C ATOM 0 HA PRO A 45 6.872 -12.196 3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.567 -13.145 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.741 -13.597 4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.924 -15.346 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.446 -15.245 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.023 -14.099 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.590 -14.941 1.180 1.00 0.00 H new ATOM 737 N GLU A 46 8.428 -10.824 1.463 1.00 0.00 N ATOM 738 CA GLU A 46 9.040 -9.578 1.018 1.00 0.00 C ATOM 739 C GLU A 46 7.997 -8.470 0.901 1.00 0.00 C ATOM 740 O GLU A 46 8.309 -7.290 1.062 1.00 0.00 O ATOM 741 CB GLU A 46 9.740 -9.779 -0.328 1.00 0.00 C ATOM 742 CG GLU A 46 10.941 -8.871 -0.532 1.00 0.00 C ATOM 743 CD GLU A 46 10.546 -7.426 -0.767 1.00 0.00 C ATOM 744 OE1 GLU A 46 9.852 -7.157 -1.770 1.00 0.00 O ATOM 745 OE2 GLU A 46 10.930 -6.565 0.051 1.00 0.00 O ATOM 0 H GLU A 46 8.226 -11.486 0.714 1.00 0.00 H new ATOM 0 HA GLU A 46 9.779 -9.281 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.062 -10.817 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.023 -9.605 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.589 -8.929 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.522 -9.228 -1.383 1.00 0.00 H new ATOM 752 N ILE A 47 6.759 -8.860 0.618 1.00 0.00 N ATOM 753 CA ILE A 47 5.670 -7.901 0.480 1.00 0.00 C ATOM 754 C ILE A 47 5.018 -7.610 1.828 1.00 0.00 C ATOM 755 O ILE A 47 4.718 -6.459 2.147 1.00 0.00 O ATOM 756 CB ILE A 47 4.594 -8.409 -0.498 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.244 -8.922 -1.785 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.595 -7.303 -0.808 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.263 -9.551 -2.749 1.00 0.00 C ATOM 0 H ILE A 47 6.485 -9.833 0.480 1.00 0.00 H new ATOM 0 HA ILE A 47 6.106 -6.984 0.085 1.00 0.00 H new ATOM 0 HB ILE A 47 4.059 -9.235 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.749 -8.094 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.009 -9.655 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.841 -7.677 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.112 -6.980 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.116 -6.459 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.794 -9.892 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.776 -10.400 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.511 -8.815 -3.035 1.00 0.00 H new ATOM 771 N ILE A 48 4.805 -8.659 2.614 1.00 0.00 N ATOM 772 CA ILE A 48 4.193 -8.516 3.929 1.00 0.00 C ATOM 773 C ILE A 48 4.975 -7.534 4.796 1.00 0.00 C ATOM 774 O ILE A 48 4.394 -6.662 5.441 1.00 0.00 O ATOM 775 CB ILE A 48 4.103 -9.869 4.659 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.168 -10.818 3.906 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.623 -9.668 6.089 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.471 -12.280 4.146 1.00 0.00 C ATOM 0 H ILE A 48 5.047 -9.618 2.363 1.00 0.00 H new ATOM 0 HA ILE A 48 3.186 -8.132 3.768 1.00 0.00 H new ATOM 0 HB ILE A 48 5.097 -10.316 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.140 -10.615 4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.237 -10.611 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.564 -10.633 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.323 -9.024 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.637 -9.203 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.770 -12.894 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.488 -12.499 3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.374 -12.502 5.209 1.00 0.00 H new ATOM 790 N GLN A 49 6.295 -7.682 4.803 1.00 0.00 N ATOM 791 CA GLN A 49 7.157 -6.808 5.590 1.00 0.00 C ATOM 792 C GLN A 49 7.092 -5.374 5.075 1.00 0.00 C ATOM 793 O GLN A 49 7.019 -4.426 5.858 1.00 0.00 O ATOM 794 CB GLN A 49 8.601 -7.311 5.552 1.00 0.00 C ATOM 795 CG GLN A 49 9.432 -6.866 6.744 1.00 0.00 C ATOM 796 CD GLN A 49 10.585 -7.806 7.036 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.613 -7.775 6.359 1.00 0.00 O ATOM 798 NE2 GLN A 49 10.420 -8.649 8.048 1.00 0.00 N ATOM 0 H GLN A 49 6.791 -8.398 4.273 1.00 0.00 H new ATOM 0 HA GLN A 49 6.803 -6.822 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.596 -8.400 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.076 -6.958 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.822 -5.866 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.792 -6.799 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.551 -8.640 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.162 -9.305 8.291 1.00 0.00 H new ATOM 807 N TRP A 50 7.121 -5.222 3.756 1.00 0.00 N ATOM 808 CA TRP A 50 7.066 -3.902 3.137 1.00 0.00 C ATOM 809 C TRP A 50 5.919 -3.079 3.713 1.00 0.00 C ATOM 810 O TRP A 50 6.115 -1.944 4.150 1.00 0.00 O ATOM 811 CB TRP A 50 6.905 -4.033 1.622 1.00 0.00 C ATOM 812 CG TRP A 50 6.842 -2.713 0.915 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.893 -2.002 0.411 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.666 -1.947 0.636 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.442 -0.839 -0.165 1.00 0.00 N ATOM 816 CE2 TRP A 50 6.079 -0.782 -0.041 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.304 -2.131 0.889 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.178 0.191 -0.464 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.411 -1.164 0.468 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.851 -0.015 -0.203 1.00 0.00 C ATOM 0 H TRP A 50 7.182 -5.996 3.094 1.00 0.00 H new ATOM 0 HA TRP A 50 8.002 -3.387 3.353 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.739 -4.611 1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.996 -4.596 1.408 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.927 -2.309 0.458 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.027 -0.133 -0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.955 -3.014 1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.515 1.078 -0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.356 -1.296 0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.128 0.722 -0.520 1.00 0.00 H new ATOM 831 N PHE A 51 4.722 -3.656 3.711 1.00 0.00 N ATOM 832 CA PHE A 51 3.544 -2.974 4.233 1.00 0.00 C ATOM 833 C PHE A 51 3.803 -2.437 5.638 1.00 0.00 C ATOM 834 O PHE A 51 3.454 -1.301 5.954 1.00 0.00 O ATOM 835 CB PHE A 51 2.345 -3.924 4.251 1.00 0.00 C ATOM 836 CG PHE A 51 1.559 -3.922 2.972 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.982 -4.666 1.882 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.397 -3.176 2.858 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.260 -4.666 0.703 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.329 -3.173 1.682 1.00 0.00 C ATOM 841 CZ PHE A 51 0.104 -3.918 0.602 1.00 0.00 C ATOM 0 H PHE A 51 4.542 -4.594 3.354 1.00 0.00 H new ATOM 0 HA PHE A 51 3.322 -2.132 3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.697 -4.936 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.685 -3.648 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.886 -5.252 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.055 -2.590 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.600 -5.251 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.234 -2.589 1.607 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.460 -3.915 -0.319 1.00 0.00 H new ATOM 851 N GLY A 52 4.418 -3.266 6.477 1.00 0.00 N ATOM 852 CA GLY A 52 4.714 -2.858 7.838 1.00 0.00 C ATOM 853 C GLY A 52 5.499 -1.562 7.898 1.00 0.00 C ATOM 854 O GLY A 52 5.085 -0.608 8.557 1.00 0.00 O ATOM 0 H GLY A 52 4.716 -4.212 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.781 -2.740 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.281 -3.646 8.335 1.00 0.00 H new ATOM 858 N ASP A 53 6.634 -1.529 7.210 1.00 0.00 N ATOM 859 CA ASP A 53 7.480 -0.341 7.188 1.00 0.00 C ATOM 860 C ASP A 53 6.746 0.837 6.554 1.00 0.00 C ATOM 861 O ASP A 53 6.845 1.971 7.025 1.00 0.00 O ATOM 862 CB ASP A 53 8.773 -0.623 6.422 1.00 0.00 C ATOM 863 CG ASP A 53 9.938 0.204 6.928 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.802 1.444 6.991 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.987 -0.387 7.259 1.00 0.00 O ATOM 0 H ASP A 53 6.990 -2.311 6.660 1.00 0.00 H new ATOM 0 HA ASP A 53 7.726 -0.082 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.019 -1.682 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.617 -0.416 5.363 1.00 0.00 H new ATOM 870 N THR A 54 6.010 0.562 5.482 1.00 0.00 N ATOM 871 CA THR A 54 5.261 1.598 4.782 1.00 0.00 C ATOM 872 C THR A 54 4.383 2.388 5.746 1.00 0.00 C ATOM 873 O THR A 54 4.258 3.607 5.628 1.00 0.00 O ATOM 874 CB THR A 54 4.376 0.999 3.673 1.00 0.00 C ATOM 875 OG1 THR A 54 5.130 0.061 2.896 1.00 0.00 O ATOM 876 CG2 THR A 54 3.830 2.092 2.767 1.00 0.00 C ATOM 0 H THR A 54 5.917 -0.370 5.079 1.00 0.00 H new ATOM 0 HA THR A 54 5.993 2.267 4.330 1.00 0.00 H new ATOM 0 HB THR A 54 3.537 0.487 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.539 -0.378 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.208 1.645 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.232 2.788 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.658 2.628 2.304 1.00 0.00 H new ATOM 884 N ARG A 55 3.779 1.686 6.699 1.00 0.00 N ATOM 885 CA ARG A 55 2.912 2.323 7.683 1.00 0.00 C ATOM 886 C ARG A 55 3.690 3.338 8.516 1.00 0.00 C ATOM 887 O ARG A 55 3.251 4.474 8.697 1.00 0.00 O ATOM 888 CB ARG A 55 2.284 1.271 8.598 1.00 0.00 C ATOM 889 CG ARG A 55 1.303 0.353 7.887 1.00 0.00 C ATOM 890 CD ARG A 55 0.731 -0.691 8.833 1.00 0.00 C ATOM 891 NE ARG A 55 1.755 -1.614 9.315 1.00 0.00 N ATOM 892 CZ ARG A 55 2.534 -1.366 10.361 1.00 0.00 C ATOM 893 NH1 ARG A 55 2.406 -0.230 11.033 1.00 0.00 N ATOM 894 NH2 ARG A 55 3.444 -2.256 10.739 1.00 0.00 N ATOM 0 H ARG A 55 3.874 0.677 6.811 1.00 0.00 H new ATOM 0 HA ARG A 55 2.121 2.848 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.076 0.668 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.770 1.774 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.492 0.944 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.804 -0.143 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.264 -0.193 9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.052 -1.252 8.323 1.00 0.00 H new ATOM 0 HE ARG A 55 1.878 -2.498 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.708 0.456 10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.006 -0.042 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.545 -3.131 10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.042 -2.064 11.543 1.00 0.00 H new ATOM 908 N TYR A 56 4.845 2.920 9.021 1.00 0.00 N ATOM 909 CA TYR A 56 5.682 3.791 9.838 1.00 0.00 C ATOM 910 C TYR A 56 5.869 5.150 9.169 1.00 0.00 C ATOM 911 O TYR A 56 5.476 6.181 9.713 1.00 0.00 O ATOM 912 CB TYR A 56 7.044 3.140 10.085 1.00 0.00 C ATOM 913 CG TYR A 56 8.161 4.135 10.300 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.048 5.141 11.253 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.330 4.070 9.552 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.066 6.053 11.453 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.354 4.977 9.746 1.00 0.00 C ATOM 918 CZ TYR A 56 10.217 5.967 10.697 1.00 0.00 C ATOM 919 OH TYR A 56 11.234 6.872 10.894 1.00 0.00 O ATOM 0 H TYR A 56 5.223 1.983 8.879 1.00 0.00 H new ATOM 0 HA TYR A 56 5.181 3.942 10.794 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.974 2.491 10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.293 2.505 9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.149 5.211 11.847 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.440 3.297 8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.962 6.829 12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.257 4.911 9.157 1.00 0.00 H new ATOM 0 HH TYR A 56 11.973 6.672 10.282 1.00 0.00 H new ATOM 929 N ALA A 57 6.473 5.141 7.985 1.00 0.00 N ATOM 930 CA ALA A 57 6.711 6.371 7.240 1.00 0.00 C ATOM 931 C ALA A 57 5.433 7.195 7.119 1.00 0.00 C ATOM 932 O ALA A 57 5.412 8.379 7.461 1.00 0.00 O ATOM 933 CB ALA A 57 7.268 6.052 5.860 1.00 0.00 C ATOM 0 H ALA A 57 6.806 4.296 7.521 1.00 0.00 H new ATOM 0 HA ALA A 57 7.444 6.963 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.441 6.979 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.208 5.511 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.554 5.437 5.313 1.00 0.00 H new ATOM 939 N LEU A 58 4.371 6.564 6.632 1.00 0.00 N ATOM 940 CA LEU A 58 3.089 7.240 6.465 1.00 0.00 C ATOM 941 C LEU A 58 2.692 7.976 7.741 1.00 0.00 C ATOM 942 O LEU A 58 2.570 9.202 7.751 1.00 0.00 O ATOM 943 CB LEU A 58 2.004 6.231 6.087 1.00 0.00 C ATOM 944 CG LEU A 58 0.560 6.681 6.314 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.084 7.552 5.162 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.353 5.476 6.487 1.00 0.00 C ATOM 0 H LEU A 58 4.372 5.585 6.346 1.00 0.00 H new ATOM 0 HA LEU A 58 3.193 7.971 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.123 5.977 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.172 5.317 6.656 1.00 0.00 H new ATOM 0 HG LEU A 58 0.524 7.273 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.945 7.862 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.721 8.433 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.135 6.985 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.376 5.815 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.312 4.857 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.025 4.892 7.347 1.00 0.00 H new ATOM 958 N LYS A 59 2.495 7.222 8.816 1.00 0.00 N ATOM 959 CA LYS A 59 2.116 7.801 10.099 1.00 0.00 C ATOM 960 C LYS A 59 2.928 9.060 10.389 1.00 0.00 C ATOM 961 O LYS A 59 2.388 10.066 10.852 1.00 0.00 O ATOM 962 CB LYS A 59 2.317 6.782 11.223 1.00 0.00 C ATOM 963 CG LYS A 59 2.148 7.368 12.614 1.00 0.00 C ATOM 964 CD LYS A 59 3.454 7.933 13.144 1.00 0.00 C ATOM 965 CE LYS A 59 3.362 8.254 14.628 1.00 0.00 C ATOM 966 NZ LYS A 59 2.702 9.567 14.871 1.00 0.00 N ATOM 0 H LYS A 59 2.592 6.207 8.824 1.00 0.00 H new ATOM 0 HA LYS A 59 1.062 8.073 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.606 5.966 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.315 6.352 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.394 8.155 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.782 6.597 13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.257 7.215 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.712 8.836 12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.804 7.467 15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.363 8.265 15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.658 9.750 15.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.248 10.321 14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.738 9.548 14.481 1.00 0.00 H new ATOM 980 N HIS A 60 4.226 8.997 10.113 1.00 0.00 N ATOM 981 CA HIS A 60 5.112 10.133 10.343 1.00 0.00 C ATOM 982 C HIS A 60 4.929 11.193 9.260 1.00 0.00 C ATOM 983 O HIS A 60 5.164 12.378 9.491 1.00 0.00 O ATOM 984 CB HIS A 60 6.569 9.672 10.379 1.00 0.00 C ATOM 985 CG HIS A 60 6.975 9.072 11.690 1.00 0.00 C ATOM 986 ND1 HIS A 60 7.806 9.712 12.585 1.00 0.00 N ATOM 987 CD2 HIS A 60 6.658 7.884 12.256 1.00 0.00 C ATOM 988 CE1 HIS A 60 7.984 8.943 13.644 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.298 7.828 13.470 1.00 0.00 N ATOM 0 H HIS A 60 4.688 8.172 9.730 1.00 0.00 H new ATOM 0 HA HIS A 60 4.854 10.573 11.306 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.729 8.939 9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.216 10.522 10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.021 7.122 11.832 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.588 9.185 14.506 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.251 7.052 14.130 1.00 0.00 H new ATOM 998 N GLY A 61 4.507 10.756 8.077 1.00 0.00 N ATOM 999 CA GLY A 61 4.300 11.680 6.977 1.00 0.00 C ATOM 1000 C GLY A 61 5.465 11.697 6.007 1.00 0.00 C ATOM 1001 O GLY A 61 5.850 12.755 5.509 1.00 0.00 O ATOM 0 H GLY A 61 4.305 9.780 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.390 11.406 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.147 12.684 7.374 1.00 0.00 H new ATOM 1005 N GLN A 62 6.029 10.523 5.741 1.00 0.00 N ATOM 1006 CA GLN A 62 7.159 10.409 4.827 1.00 0.00 C ATOM 1007 C GLN A 62 6.682 10.160 3.400 1.00 0.00 C ATOM 1008 O GLN A 62 7.105 10.842 2.465 1.00 0.00 O ATOM 1009 CB GLN A 62 8.089 9.279 5.271 1.00 0.00 C ATOM 1010 CG GLN A 62 8.970 9.645 6.455 1.00 0.00 C ATOM 1011 CD GLN A 62 9.690 10.964 6.261 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.287 11.211 5.213 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.636 11.822 7.274 1.00 0.00 N ATOM 0 H GLN A 62 5.722 9.638 6.145 1.00 0.00 H new ATOM 0 HA GLN A 62 7.707 11.351 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.489 8.407 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.723 8.991 4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.358 9.699 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.704 8.855 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.130 11.576 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.101 12.727 7.201 1.00 0.00 H new ATOM 1022 N LEU A 63 5.800 9.180 3.239 1.00 0.00 N ATOM 1023 CA LEU A 63 5.265 8.841 1.925 1.00 0.00 C ATOM 1024 C LEU A 63 4.902 10.099 1.143 1.00 0.00 C ATOM 1025 O LEU A 63 4.219 10.986 1.655 1.00 0.00 O ATOM 1026 CB LEU A 63 4.035 7.944 2.070 1.00 0.00 C ATOM 1027 CG LEU A 63 4.300 6.438 2.092 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.262 6.083 3.216 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.996 5.669 2.240 1.00 0.00 C ATOM 0 H LEU A 63 5.440 8.606 4.002 1.00 0.00 H new ATOM 0 HA LEU A 63 6.036 8.303 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.519 8.215 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.353 8.161 1.247 1.00 0.00 H new ATOM 0 HG LEU A 63 4.759 6.155 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.439 5.008 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.206 6.606 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.831 6.380 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.204 4.599 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.508 5.956 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.340 5.900 1.401 1.00 0.00 H new ATOM 1041 N LYS A 64 5.363 10.170 -0.101 1.00 0.00 N ATOM 1042 CA LYS A 64 5.085 11.317 -0.957 1.00 0.00 C ATOM 1043 C LYS A 64 3.910 11.030 -1.887 1.00 0.00 C ATOM 1044 O LYS A 64 3.319 11.948 -2.456 1.00 0.00 O ATOM 1045 CB LYS A 64 6.324 11.679 -1.779 1.00 0.00 C ATOM 1046 CG LYS A 64 6.158 12.943 -2.604 1.00 0.00 C ATOM 1047 CD LYS A 64 5.598 12.639 -3.984 1.00 0.00 C ATOM 1048 CE LYS A 64 6.707 12.363 -4.987 1.00 0.00 C ATOM 1049 NZ LYS A 64 7.126 10.935 -4.973 1.00 0.00 N ATOM 0 H LYS A 64 5.932 9.446 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 64 4.822 12.160 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.173 11.803 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.563 10.850 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.493 13.633 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.122 13.443 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.935 11.776 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.997 13.481 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.367 12.632 -5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.566 12.995 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.569 10.694 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.809 10.781 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.293 10.330 -4.823 1.00 0.00 H new ATOM 1063 N TRP A 65 3.578 9.753 -2.036 1.00 0.00 N ATOM 1064 CA TRP A 65 2.473 9.346 -2.896 1.00 0.00 C ATOM 1065 C TRP A 65 1.165 9.294 -2.115 1.00 0.00 C ATOM 1066 O TRP A 65 0.097 9.587 -2.653 1.00 0.00 O ATOM 1067 CB TRP A 65 2.762 7.981 -3.522 1.00 0.00 C ATOM 1068 CG TRP A 65 3.499 7.052 -2.605 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.840 7.050 -2.344 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.936 5.988 -1.830 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.144 6.049 -1.453 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.994 5.384 -1.122 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.642 5.488 -1.663 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.795 4.306 -0.264 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.446 4.418 -0.811 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.517 3.836 -0.120 1.00 0.00 C ATOM 0 H TRP A 65 4.058 8.982 -1.573 1.00 0.00 H new ATOM 0 HA TRP A 65 2.372 10.087 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.821 7.518 -3.817 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.346 8.122 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.556 7.734 -2.775 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.075 5.836 -1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.810 5.930 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.619 3.856 0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.450 4.023 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.331 3.001 0.539 1.00 0.00 H new ATOM 1087 N PHE A 66 1.255 8.921 -0.842 1.00 0.00 N ATOM 1088 CA PHE A 66 0.078 8.830 0.013 1.00 0.00 C ATOM 1089 C PHE A 66 -0.484 10.217 0.315 1.00 0.00 C ATOM 1090 O PHE A 66 0.243 11.210 0.294 1.00 0.00 O ATOM 1091 CB PHE A 66 0.424 8.113 1.319 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.729 7.356 1.912 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.791 8.029 2.494 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.752 5.971 1.888 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.855 7.336 3.040 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.813 5.272 2.432 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.865 5.955 3.010 1.00 0.00 C ATOM 0 H PHE A 66 2.131 8.677 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.682 8.257 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.247 7.422 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.778 8.846 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.787 9.109 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.069 5.431 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.677 7.873 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.819 4.192 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.694 5.410 3.438 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.782 10.275 0.593 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.442 11.539 0.897 1.00 0.00 C ATOM 1109 C ARG A 67 -2.217 12.552 -0.221 1.00 0.00 C ATOM 1110 O ARG A 67 -1.931 13.722 0.036 1.00 0.00 O ATOM 1111 CB ARG A 67 -1.926 12.102 2.222 1.00 0.00 C ATOM 1112 CG ARG A 67 -2.623 11.524 3.443 1.00 0.00 C ATOM 1113 CD ARG A 67 -2.664 12.525 4.587 1.00 0.00 C ATOM 1114 NE ARG A 67 -3.865 13.356 4.545 1.00 0.00 N ATOM 1115 CZ ARG A 67 -4.379 13.960 5.610 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -3.800 13.826 6.796 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -5.474 14.700 5.492 1.00 0.00 N ATOM 0 H ARG A 67 -2.397 9.462 0.614 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.512 11.350 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.856 11.906 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.052 13.185 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.639 11.230 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.104 10.621 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.625 11.992 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.781 13.162 4.543 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.335 13.479 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.958 13.258 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.197 14.291 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.922 14.806 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.867 15.163 6.311 1.00 0.00 H new ATOM 1131 N ASP A 68 -2.349 12.095 -1.462 1.00 0.00 N ATOM 1132 CA ASP A 68 -2.160 12.962 -2.619 1.00 0.00 C ATOM 1133 C ASP A 68 -3.394 13.826 -2.857 1.00 0.00 C ATOM 1134 O ASP A 68 -3.294 15.045 -2.989 1.00 0.00 O ATOM 1135 CB ASP A 68 -1.860 12.126 -3.865 1.00 0.00 C ATOM 1136 CG ASP A 68 -1.946 12.939 -5.142 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -1.514 14.110 -5.129 1.00 0.00 O ATOM 1138 OD2 ASP A 68 -2.445 12.403 -6.154 1.00 0.00 O ATOM 0 H ASP A 68 -2.586 11.130 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.313 13.617 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.862 11.695 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.563 11.295 -3.919 1.00 0.00 H new ATOM 1143 N ASN A 69 -4.558 13.186 -2.912 1.00 0.00 N ATOM 1144 CA ASN A 69 -5.811 13.897 -3.136 1.00 0.00 C ATOM 1145 C ASN A 69 -6.550 14.125 -1.821 1.00 0.00 C ATOM 1146 O ASN A 69 -7.442 13.361 -1.457 1.00 0.00 O ATOM 1147 CB ASN A 69 -6.701 13.112 -4.103 1.00 0.00 C ATOM 1148 CG ASN A 69 -6.242 13.239 -5.543 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -5.116 12.876 -5.882 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -7.116 13.758 -6.398 1.00 0.00 N ATOM 0 H ASN A 69 -4.659 12.177 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.576 14.867 -3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.705 12.060 -3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.728 13.469 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.864 13.869 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.039 14.045 -6.072 1.00 0.00 H new ATOM 1157 N ALA A 70 -6.170 15.184 -1.112 1.00 0.00 N ATOM 1158 CA ALA A 70 -6.797 15.515 0.161 1.00 0.00 C ATOM 1159 C ALA A 70 -7.497 16.869 0.093 1.00 0.00 C ATOM 1160 O ALA A 70 -6.923 17.894 0.459 1.00 0.00 O ATOM 1161 CB ALA A 70 -5.762 15.510 1.277 1.00 0.00 C ATOM 0 H ALA A 70 -5.431 15.826 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.550 14.756 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.245 15.759 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.310 14.521 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.989 16.247 1.059 1.00 0.00 H new ATOM 1167 N SER A 71 -8.740 16.864 -0.379 1.00 0.00 N ATOM 1168 CA SER A 71 -9.516 18.092 -0.500 1.00 0.00 C ATOM 1169 C SER A 71 -11.003 17.783 -0.641 1.00 0.00 C ATOM 1170 O SER A 71 -11.403 16.965 -1.468 1.00 0.00 O ATOM 1171 CB SER A 71 -9.037 18.907 -1.703 1.00 0.00 C ATOM 1172 OG SER A 71 -9.307 20.287 -1.524 1.00 0.00 O ATOM 0 H SER A 71 -9.231 16.023 -0.684 1.00 0.00 H new ATOM 0 HA SER A 71 -9.368 18.677 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.967 18.758 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.530 18.551 -2.607 1.00 0.00 H new ATOM 0 HG SER A 71 -8.990 20.786 -2.305 1.00 0.00 H new ATOM 1178 N GLY A 72 -11.819 18.445 0.175 1.00 0.00 N ATOM 1179 CA GLY A 72 -13.253 18.227 0.126 1.00 0.00 C ATOM 1180 C GLY A 72 -13.960 18.747 1.362 1.00 0.00 C ATOM 1181 O GLY A 72 -13.331 19.177 2.329 1.00 0.00 O ATOM 0 H GLY A 72 -11.512 19.128 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.662 18.718 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.452 17.161 0.019 1.00 0.00 H new ATOM 1185 N PRO A 73 -15.301 18.713 1.340 1.00 0.00 N ATOM 1186 CA PRO A 73 -16.123 19.182 2.459 1.00 0.00 C ATOM 1187 C PRO A 73 -16.023 18.268 3.675 1.00 0.00 C ATOM 1188 O PRO A 73 -16.217 18.705 4.809 1.00 0.00 O ATOM 1189 CB PRO A 73 -17.544 19.159 1.889 1.00 0.00 C ATOM 1190 CG PRO A 73 -17.501 18.139 0.804 1.00 0.00 C ATOM 1191 CD PRO A 73 -16.117 18.214 0.220 1.00 0.00 C ATOM 0 HA PRO A 73 -15.807 20.163 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.273 18.892 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.831 20.137 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.706 17.143 1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.256 18.344 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.773 17.239 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.078 18.887 -0.637 1.00 0.00 H new ATOM 1199 N SER A 74 -15.718 16.997 3.431 1.00 0.00 N ATOM 1200 CA SER A 74 -15.595 16.021 4.507 1.00 0.00 C ATOM 1201 C SER A 74 -14.696 16.549 5.620 1.00 0.00 C ATOM 1202 O SER A 74 -13.521 16.841 5.399 1.00 0.00 O ATOM 1203 CB SER A 74 -15.035 14.703 3.966 1.00 0.00 C ATOM 1204 OG SER A 74 -15.502 13.601 4.725 1.00 0.00 O ATOM 0 H SER A 74 -15.552 16.620 2.498 1.00 0.00 H new ATOM 0 HA SER A 74 -16.588 15.845 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.328 14.581 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.946 14.730 3.990 1.00 0.00 H new ATOM 0 HG SER A 74 -15.132 12.771 4.359 1.00 0.00 H new ATOM 1210 N SER A 75 -15.258 16.670 6.819 1.00 0.00 N ATOM 1211 CA SER A 75 -14.510 17.168 7.967 1.00 0.00 C ATOM 1212 C SER A 75 -13.505 18.234 7.541 1.00 0.00 C ATOM 1213 O SER A 75 -12.327 18.166 7.886 1.00 0.00 O ATOM 1214 CB SER A 75 -13.783 16.017 8.666 1.00 0.00 C ATOM 1215 OG SER A 75 -14.659 15.309 9.527 1.00 0.00 O ATOM 0 H SER A 75 -16.229 16.430 7.020 1.00 0.00 H new ATOM 0 HA SER A 75 -15.218 17.619 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.372 15.336 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.942 16.408 9.239 1.00 0.00 H new ATOM 0 HG SER A 75 -14.171 14.578 9.960 1.00 0.00 H new ATOM 1221 N GLY A 76 -13.983 19.220 6.787 1.00 0.00 N ATOM 1222 CA GLY A 76 -13.115 20.287 6.325 1.00 0.00 C ATOM 1223 C GLY A 76 -13.866 21.581 6.080 1.00 0.00 C ATOM 1224 O GLY A 76 -13.413 22.654 6.477 1.00 0.00 O ATOM 0 H GLY A 76 -14.955 19.298 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.332 20.459 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.622 19.977 5.404 1.00 0.00 H new TER 1228 GLY A 76