USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 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 11 THR OG1 : rot 180:sc= -0.2 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.713 K(o=-0.91,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= 0.455 (180deg=-0.816) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0036 (180deg=-0.157) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00946 K(o=-0.0095,f=-1.9) USER MOD Single : A 25 CYS SG : rot 33:sc= 0.465 USER MOD Single : A 26 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.51) USER MOD Single : A 33 TYR OH : rot 122:sc= 0.0973 USER MOD Single : A 34 GLN : amide:sc= 0.18 K(o=0.18,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.011 (180deg=-0.182) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 40 THR OG1 : rot -77:sc= 0.947 USER MOD Single : A 49 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 54 THR OG1 : rot 66:sc= 1.22 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= -0.976 K(o=-0.98,f=-0.39) USER MOD Single : A 62 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.53) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0264 (180deg=-0.245) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -55:sc= 0.112 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.488 -4.967 19.738 1.00 0.00 N ATOM 2 CA GLY A 1 22.231 -5.744 18.540 1.00 0.00 C ATOM 3 C GLY A 1 23.348 -5.626 17.522 1.00 0.00 C ATOM 4 O GLY A 1 23.387 -4.675 16.741 1.00 0.00 O ATOM 0 H1 GLY A 1 21.696 -5.081 20.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.366 -5.299 20.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.587 -3.963 19.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.100 -6.792 18.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.296 -5.412 18.089 1.00 0.00 H new ATOM 8 N SER A 2 24.259 -6.594 17.530 1.00 0.00 N ATOM 9 CA SER A 2 25.385 -6.591 16.604 1.00 0.00 C ATOM 10 C SER A 2 25.040 -7.349 15.326 1.00 0.00 C ATOM 11 O SER A 2 25.854 -8.109 14.802 1.00 0.00 O ATOM 12 CB SER A 2 26.617 -7.215 17.263 1.00 0.00 C ATOM 13 OG SER A 2 26.432 -8.604 17.476 1.00 0.00 O ATOM 0 H SER A 2 24.239 -7.390 18.167 1.00 0.00 H new ATOM 0 HA SER A 2 25.606 -5.556 16.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.492 -7.054 16.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.814 -6.721 18.214 1.00 0.00 H new ATOM 0 HG SER A 2 27.233 -8.980 17.896 1.00 0.00 H new ATOM 19 N SER A 3 23.825 -7.136 14.829 1.00 0.00 N ATOM 20 CA SER A 3 23.368 -7.801 13.615 1.00 0.00 C ATOM 21 C SER A 3 22.300 -6.971 12.909 1.00 0.00 C ATOM 22 O SER A 3 21.866 -5.938 13.416 1.00 0.00 O ATOM 23 CB SER A 3 22.816 -9.189 13.945 1.00 0.00 C ATOM 24 OG SER A 3 21.593 -9.096 14.654 1.00 0.00 O ATOM 0 H SER A 3 23.140 -6.508 15.249 1.00 0.00 H new ATOM 0 HA SER A 3 24.222 -7.907 12.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.664 -9.752 13.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.544 -9.741 14.540 1.00 0.00 H new ATOM 0 HG SER A 3 21.260 -9.996 14.851 1.00 0.00 H new ATOM 30 N GLY A 4 21.881 -7.432 11.735 1.00 0.00 N ATOM 31 CA GLY A 4 20.867 -6.721 10.978 1.00 0.00 C ATOM 32 C GLY A 4 20.947 -7.007 9.491 1.00 0.00 C ATOM 33 O GLY A 4 21.532 -6.234 8.734 1.00 0.00 O ATOM 0 H GLY A 4 22.225 -8.285 11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.880 -7.001 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.978 -5.650 11.145 1.00 0.00 H new ATOM 37 N SER A 5 20.357 -8.123 9.073 1.00 0.00 N ATOM 38 CA SER A 5 20.368 -8.513 7.668 1.00 0.00 C ATOM 39 C SER A 5 19.080 -8.080 6.974 1.00 0.00 C ATOM 40 O SER A 5 18.122 -8.847 6.884 1.00 0.00 O ATOM 41 CB SER A 5 20.547 -10.027 7.538 1.00 0.00 C ATOM 42 OG SER A 5 20.572 -10.422 6.178 1.00 0.00 O ATOM 0 H SER A 5 19.866 -8.772 9.687 1.00 0.00 H new ATOM 0 HA SER A 5 21.207 -8.013 7.184 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.474 -10.330 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.734 -10.538 8.054 1.00 0.00 H new ATOM 0 HG SER A 5 20.689 -11.393 6.122 1.00 0.00 H new ATOM 48 N SER A 6 19.066 -6.844 6.484 1.00 0.00 N ATOM 49 CA SER A 6 17.895 -6.306 5.801 1.00 0.00 C ATOM 50 C SER A 6 18.212 -5.997 4.341 1.00 0.00 C ATOM 51 O SER A 6 19.320 -5.576 4.011 1.00 0.00 O ATOM 52 CB SER A 6 17.404 -5.041 6.507 1.00 0.00 C ATOM 53 OG SER A 6 16.387 -4.400 5.756 1.00 0.00 O ATOM 0 H SER A 6 19.852 -6.197 6.547 1.00 0.00 H new ATOM 0 HA SER A 6 17.108 -7.060 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.024 -5.297 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.239 -4.356 6.654 1.00 0.00 H new ATOM 0 HG SER A 6 16.089 -3.595 6.229 1.00 0.00 H new ATOM 59 N GLY A 7 17.230 -6.211 3.471 1.00 0.00 N ATOM 60 CA GLY A 7 17.423 -5.950 2.056 1.00 0.00 C ATOM 61 C GLY A 7 16.172 -6.215 1.242 1.00 0.00 C ATOM 62 O GLY A 7 15.499 -7.228 1.434 1.00 0.00 O ATOM 0 H GLY A 7 16.305 -6.560 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.729 -4.913 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.235 -6.574 1.682 1.00 0.00 H new ATOM 66 N LYS A 8 15.857 -5.300 0.331 1.00 0.00 N ATOM 67 CA LYS A 8 14.677 -5.438 -0.515 1.00 0.00 C ATOM 68 C LYS A 8 15.015 -5.133 -1.971 1.00 0.00 C ATOM 69 O LYS A 8 14.485 -5.764 -2.886 1.00 0.00 O ATOM 70 CB LYS A 8 13.565 -4.504 -0.032 1.00 0.00 C ATOM 71 CG LYS A 8 13.949 -3.035 -0.061 1.00 0.00 C ATOM 72 CD LYS A 8 14.725 -2.636 1.182 1.00 0.00 C ATOM 73 CE LYS A 8 14.675 -1.133 1.412 1.00 0.00 C ATOM 74 NZ LYS A 8 15.737 -0.420 0.650 1.00 0.00 N ATOM 0 H LYS A 8 16.402 -4.455 0.160 1.00 0.00 H new ATOM 0 HA LYS A 8 14.330 -6.469 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.682 -4.652 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.288 -4.778 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.551 -2.833 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.049 -2.425 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.314 -3.152 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.762 -2.956 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.698 -0.753 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.789 -0.924 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.669 0.601 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.671 -0.765 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.613 -0.598 -0.367 1.00 0.00 H new ATOM 88 N ARG A 9 15.899 -4.162 -2.178 1.00 0.00 N ATOM 89 CA ARG A 9 16.306 -3.774 -3.523 1.00 0.00 C ATOM 90 C ARG A 9 15.146 -3.914 -4.505 1.00 0.00 C ATOM 91 O ARG A 9 15.298 -4.479 -5.588 1.00 0.00 O ATOM 92 CB ARG A 9 17.486 -4.630 -3.988 1.00 0.00 C ATOM 93 CG ARG A 9 17.136 -6.095 -4.187 1.00 0.00 C ATOM 94 CD ARG A 9 18.383 -6.961 -4.259 1.00 0.00 C ATOM 95 NE ARG A 9 18.965 -6.973 -5.599 1.00 0.00 N ATOM 96 CZ ARG A 9 19.805 -6.046 -6.043 1.00 0.00 C ATOM 97 NH1 ARG A 9 20.161 -5.038 -5.258 1.00 0.00 N ATOM 98 NH2 ARG A 9 20.292 -6.125 -7.275 1.00 0.00 N ATOM 0 H ARG A 9 16.347 -3.630 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 9 16.612 -2.728 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.869 -4.226 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 9 18.290 -4.554 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.503 -6.434 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.558 -6.211 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.121 -6.593 -3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.134 -7.980 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 9 18.712 -7.735 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.789 -4.974 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.807 -4.327 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.021 -6.899 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.937 -5.412 -7.615 1.00 0.00 H new ATOM 112 N LYS A 10 13.985 -3.395 -4.118 1.00 0.00 N ATOM 113 CA LYS A 10 12.798 -3.460 -4.962 1.00 0.00 C ATOM 114 C LYS A 10 12.963 -2.585 -6.200 1.00 0.00 C ATOM 115 O LYS A 10 13.834 -1.715 -6.248 1.00 0.00 O ATOM 116 CB LYS A 10 11.562 -3.019 -4.174 1.00 0.00 C ATOM 117 CG LYS A 10 11.352 -3.799 -2.887 1.00 0.00 C ATOM 118 CD LYS A 10 9.907 -3.728 -2.423 1.00 0.00 C ATOM 119 CE LYS A 10 9.702 -4.486 -1.120 1.00 0.00 C ATOM 120 NZ LYS A 10 8.314 -5.012 -0.997 1.00 0.00 N ATOM 0 H LYS A 10 13.841 -2.924 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 10 12.667 -4.493 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.652 -1.959 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.680 -3.131 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.635 -4.840 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.005 -3.403 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.618 -2.686 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.256 -4.142 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.410 -5.313 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.917 -3.827 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.318 -5.867 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.707 -4.290 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.947 -5.247 -1.941 1.00 0.00 H new ATOM 134 N THR A 11 12.120 -2.819 -7.201 1.00 0.00 N ATOM 135 CA THR A 11 12.172 -2.052 -8.440 1.00 0.00 C ATOM 136 C THR A 11 10.965 -1.131 -8.567 1.00 0.00 C ATOM 137 O THR A 11 9.827 -1.545 -8.341 1.00 0.00 O ATOM 138 CB THR A 11 12.230 -2.977 -9.671 1.00 0.00 C ATOM 139 OG1 THR A 11 10.968 -3.628 -9.854 1.00 0.00 O ATOM 140 CG2 THR A 11 13.327 -4.019 -9.513 1.00 0.00 C ATOM 0 H THR A 11 11.393 -3.534 -7.178 1.00 0.00 H new ATOM 0 HA THR A 11 13.081 -1.452 -8.403 1.00 0.00 H new ATOM 0 HB THR A 11 12.454 -2.368 -10.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.012 -4.213 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.349 -4.661 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.290 -3.520 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.129 -4.624 -8.628 1.00 0.00 H new ATOM 148 N LYS A 12 11.218 0.122 -8.931 1.00 0.00 N ATOM 149 CA LYS A 12 10.152 1.103 -9.090 1.00 0.00 C ATOM 150 C LYS A 12 8.881 0.445 -9.620 1.00 0.00 C ATOM 151 O LYS A 12 7.776 0.780 -9.196 1.00 0.00 O ATOM 152 CB LYS A 12 10.595 2.219 -10.040 1.00 0.00 C ATOM 153 CG LYS A 12 9.639 3.398 -10.081 1.00 0.00 C ATOM 154 CD LYS A 12 9.910 4.375 -8.948 1.00 0.00 C ATOM 155 CE LYS A 12 11.059 5.313 -9.284 1.00 0.00 C ATOM 156 NZ LYS A 12 11.115 6.476 -8.355 1.00 0.00 N ATOM 0 H LYS A 12 12.153 0.482 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 12 9.938 1.531 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.581 2.572 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.697 1.810 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.735 3.912 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.612 3.038 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.011 4.957 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.144 3.823 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.000 4.765 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.948 5.671 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.911 7.092 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.227 7.013 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.246 6.136 -7.381 1.00 0.00 H new ATOM 170 N GLU A 13 9.049 -0.492 -10.548 1.00 0.00 N ATOM 171 CA GLU A 13 7.914 -1.197 -11.134 1.00 0.00 C ATOM 172 C GLU A 13 7.157 -1.988 -10.071 1.00 0.00 C ATOM 173 O GLU A 13 5.976 -1.744 -9.825 1.00 0.00 O ATOM 174 CB GLU A 13 8.388 -2.137 -12.244 1.00 0.00 C ATOM 175 CG GLU A 13 8.475 -1.473 -13.608 1.00 0.00 C ATOM 176 CD GLU A 13 9.213 -2.322 -14.624 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.456 -2.407 -14.534 1.00 0.00 O ATOM 178 OE2 GLU A 13 8.550 -2.900 -15.510 1.00 0.00 O ATOM 0 H GLU A 13 9.958 -0.780 -10.910 1.00 0.00 H new ATOM 0 HA GLU A 13 7.238 -0.455 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.368 -2.533 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.707 -2.986 -12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.469 -1.269 -13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.979 -0.512 -13.508 1.00 0.00 H new ATOM 185 N GLN A 14 7.846 -2.937 -9.445 1.00 0.00 N ATOM 186 CA GLN A 14 7.239 -3.764 -8.410 1.00 0.00 C ATOM 187 C GLN A 14 6.573 -2.901 -7.343 1.00 0.00 C ATOM 188 O GLN A 14 5.373 -3.021 -7.093 1.00 0.00 O ATOM 189 CB GLN A 14 8.292 -4.668 -7.766 1.00 0.00 C ATOM 190 CG GLN A 14 8.899 -5.676 -8.729 1.00 0.00 C ATOM 191 CD GLN A 14 10.128 -6.359 -8.162 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.087 -5.700 -7.760 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.105 -7.686 -8.126 1.00 0.00 N ATOM 0 H GLN A 14 8.825 -3.152 -9.637 1.00 0.00 H new ATOM 0 HA GLN A 14 6.475 -4.384 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.088 -4.048 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.839 -5.203 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.152 -6.430 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.165 -5.171 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.289 -8.191 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.904 -8.200 -7.754 1.00 0.00 H new ATOM 202 N LEU A 15 7.358 -2.032 -6.718 1.00 0.00 N ATOM 203 CA LEU A 15 6.845 -1.148 -5.677 1.00 0.00 C ATOM 204 C LEU A 15 5.593 -0.417 -6.152 1.00 0.00 C ATOM 205 O LEU A 15 4.655 -0.208 -5.384 1.00 0.00 O ATOM 206 CB LEU A 15 7.916 -0.135 -5.266 1.00 0.00 C ATOM 207 CG LEU A 15 8.863 -0.576 -4.150 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.844 0.536 -3.812 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.076 -0.989 -2.915 1.00 0.00 C ATOM 0 H LEU A 15 8.353 -1.920 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 15 6.582 -1.759 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.512 0.111 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.418 0.782 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 15 9.430 -1.439 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.510 0.204 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.431 0.784 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.295 1.418 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.766 -1.300 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.483 -0.145 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.414 -1.818 -3.166 1.00 0.00 H new ATOM 221 N ALA A 16 5.586 -0.032 -7.424 1.00 0.00 N ATOM 222 CA ALA A 16 4.448 0.671 -8.003 1.00 0.00 C ATOM 223 C ALA A 16 3.146 -0.075 -7.734 1.00 0.00 C ATOM 224 O ALA A 16 2.150 0.523 -7.327 1.00 0.00 O ATOM 225 CB ALA A 16 4.650 0.860 -9.500 1.00 0.00 C ATOM 0 H ALA A 16 6.356 -0.195 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 16 4.379 1.650 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.793 1.386 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.554 1.443 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.748 -0.114 -9.980 1.00 0.00 H new ATOM 231 N ILE A 17 3.161 -1.384 -7.964 1.00 0.00 N ATOM 232 CA ILE A 17 1.981 -2.211 -7.745 1.00 0.00 C ATOM 233 C ILE A 17 1.565 -2.198 -6.278 1.00 0.00 C ATOM 234 O ILE A 17 0.376 -2.170 -5.959 1.00 0.00 O ATOM 235 CB ILE A 17 2.225 -3.667 -8.185 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.585 -3.720 -9.671 1.00 0.00 C ATOM 237 CG2 ILE A 17 0.997 -4.518 -7.901 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.449 -4.905 -10.041 1.00 0.00 C ATOM 0 H ILE A 17 3.977 -1.894 -8.302 1.00 0.00 H new ATOM 0 HA ILE A 17 1.181 -1.786 -8.351 1.00 0.00 H new ATOM 0 HB ILE A 17 3.062 -4.069 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.667 -3.752 -10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.105 -2.802 -9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.184 -5.544 -8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.782 -4.501 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.143 -4.120 -8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.665 -4.878 -11.109 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.383 -4.863 -9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.922 -5.829 -9.800 1.00 0.00 H new ATOM 250 N LEU A 18 2.552 -2.216 -5.389 1.00 0.00 N ATOM 251 CA LEU A 18 2.289 -2.205 -3.954 1.00 0.00 C ATOM 252 C LEU A 18 1.704 -0.865 -3.518 1.00 0.00 C ATOM 253 O LEU A 18 0.613 -0.807 -2.951 1.00 0.00 O ATOM 254 CB LEU A 18 3.576 -2.489 -3.177 1.00 0.00 C ATOM 255 CG LEU A 18 3.865 -3.959 -2.872 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.291 -4.129 -2.371 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.872 -4.498 -1.853 1.00 0.00 C ATOM 0 H LEU A 18 3.541 -2.238 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 18 1.561 -2.987 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.415 -2.084 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.535 -1.944 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 18 3.754 -4.530 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.479 -5.181 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.988 -3.782 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.429 -3.545 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.093 -5.546 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.950 -3.924 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.860 -4.412 -2.250 1.00 0.00 H new ATOM 269 N LYS A 19 2.436 0.210 -3.789 1.00 0.00 N ATOM 270 CA LYS A 19 1.989 1.551 -3.429 1.00 0.00 C ATOM 271 C LYS A 19 0.485 1.697 -3.636 1.00 0.00 C ATOM 272 O LYS A 19 -0.210 2.292 -2.813 1.00 0.00 O ATOM 273 CB LYS A 19 2.733 2.599 -4.260 1.00 0.00 C ATOM 274 CG LYS A 19 4.217 2.679 -3.949 1.00 0.00 C ATOM 275 CD LYS A 19 4.838 3.946 -4.515 1.00 0.00 C ATOM 276 CE LYS A 19 6.357 3.874 -4.507 1.00 0.00 C ATOM 277 NZ LYS A 19 6.892 3.297 -5.772 1.00 0.00 N ATOM 0 H LYS A 19 3.342 0.179 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 19 2.210 1.709 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.604 2.371 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.281 3.576 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.365 2.651 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.724 1.808 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.485 4.101 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.510 4.806 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.767 4.873 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.687 3.268 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.912 3.123 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.407 2.400 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.731 3.964 -6.553 1.00 0.00 H new ATOM 291 N SER A 20 -0.012 1.149 -4.741 1.00 0.00 N ATOM 292 CA SER A 20 -1.434 1.221 -5.057 1.00 0.00 C ATOM 293 C SER A 20 -2.253 0.400 -4.065 1.00 0.00 C ATOM 294 O SER A 20 -3.340 0.807 -3.654 1.00 0.00 O ATOM 295 CB SER A 20 -1.687 0.723 -6.481 1.00 0.00 C ATOM 296 OG SER A 20 -3.066 0.477 -6.698 1.00 0.00 O ATOM 0 H SER A 20 0.549 0.651 -5.432 1.00 0.00 H new ATOM 0 HA SER A 20 -1.746 2.263 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.329 1.463 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.119 -0.191 -6.656 1.00 0.00 H new ATOM 0 HG SER A 20 -3.201 0.161 -7.616 1.00 0.00 H new ATOM 302 N PHE A 21 -1.723 -0.758 -3.686 1.00 0.00 N ATOM 303 CA PHE A 21 -2.404 -1.637 -2.743 1.00 0.00 C ATOM 304 C PHE A 21 -2.463 -1.006 -1.355 1.00 0.00 C ATOM 305 O PHE A 21 -3.525 -0.945 -0.734 1.00 0.00 O ATOM 306 CB PHE A 21 -1.693 -2.990 -2.670 1.00 0.00 C ATOM 307 CG PHE A 21 -2.607 -4.131 -2.326 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.962 -4.379 -1.010 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.112 -4.955 -3.319 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.804 -5.428 -0.690 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.955 -6.005 -3.005 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.300 -6.242 -1.689 1.00 0.00 C ATOM 0 H PHE A 21 -0.825 -1.109 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.424 -1.788 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.217 -3.193 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.899 -2.934 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.577 -3.746 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.844 -4.775 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.073 -5.610 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.343 -6.639 -3.788 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.957 -7.063 -1.442 1.00 0.00 H new ATOM 322 N PHE A 22 -1.316 -0.538 -0.875 1.00 0.00 N ATOM 323 CA PHE A 22 -1.236 0.087 0.440 1.00 0.00 C ATOM 324 C PHE A 22 -2.325 1.143 0.607 1.00 0.00 C ATOM 325 O PHE A 22 -3.043 1.157 1.608 1.00 0.00 O ATOM 326 CB PHE A 22 0.141 0.723 0.643 1.00 0.00 C ATOM 327 CG PHE A 22 0.372 1.218 2.042 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.294 0.351 3.120 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.669 2.550 2.279 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.505 0.804 4.408 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.882 3.009 3.566 1.00 0.00 C ATOM 332 CZ PHE A 22 0.801 2.134 4.631 1.00 0.00 C ATOM 0 H PHE A 22 -0.429 -0.580 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.386 -0.687 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.910 -0.008 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.254 1.555 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.066 -0.691 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.735 3.238 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.438 0.118 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.111 4.050 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.969 2.489 5.637 1.00 0.00 H new ATOM 342 N LEU A 23 -2.442 2.025 -0.379 1.00 0.00 N ATOM 343 CA LEU A 23 -3.444 3.085 -0.342 1.00 0.00 C ATOM 344 C LEU A 23 -4.841 2.508 -0.139 1.00 0.00 C ATOM 345 O LEU A 23 -5.571 2.929 0.758 1.00 0.00 O ATOM 346 CB LEU A 23 -3.399 3.900 -1.636 1.00 0.00 C ATOM 347 CG LEU A 23 -2.042 4.499 -2.006 1.00 0.00 C ATOM 348 CD1 LEU A 23 -1.903 4.612 -3.516 1.00 0.00 C ATOM 349 CD2 LEU A 23 -1.861 5.859 -1.348 1.00 0.00 C ATOM 0 H LEU A 23 -1.856 2.028 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.216 3.738 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.727 3.261 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.122 4.712 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.260 3.834 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.931 5.040 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.987 3.622 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.692 5.255 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.889 6.270 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.648 6.534 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.915 5.749 -0.265 1.00 0.00 H new ATOM 361 N GLN A 24 -5.204 1.542 -0.976 1.00 0.00 N ATOM 362 CA GLN A 24 -6.513 0.906 -0.887 1.00 0.00 C ATOM 363 C GLN A 24 -6.706 0.247 0.475 1.00 0.00 C ATOM 364 O GLN A 24 -7.812 0.233 1.018 1.00 0.00 O ATOM 365 CB GLN A 24 -6.676 -0.133 -1.997 1.00 0.00 C ATOM 366 CG GLN A 24 -6.589 0.454 -3.397 1.00 0.00 C ATOM 367 CD GLN A 24 -7.883 1.111 -3.836 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.780 1.345 -3.025 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.986 1.413 -5.125 1.00 0.00 N ATOM 0 H GLN A 24 -4.610 1.183 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.273 1.678 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.907 -0.897 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.639 -0.630 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.784 1.188 -3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.329 -0.335 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.218 1.201 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.833 1.857 -5.479 1.00 0.00 H new ATOM 378 N CYS A 25 -5.625 -0.298 1.022 1.00 0.00 N ATOM 379 CA CYS A 25 -5.676 -0.960 2.320 1.00 0.00 C ATOM 380 C CYS A 25 -4.291 -1.016 2.957 1.00 0.00 C ATOM 381 O CYS A 25 -3.358 -1.578 2.385 1.00 0.00 O ATOM 382 CB CYS A 25 -6.240 -2.374 2.173 1.00 0.00 C ATOM 383 SG CYS A 25 -8.039 -2.471 2.332 1.00 0.00 S ATOM 0 H CYS A 25 -4.703 -0.294 0.587 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.332 -0.381 2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.950 -2.770 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.784 -3.016 2.927 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.575 -1.381 1.868 1.00 0.00 H new ATOM 389 N GLN A 26 -4.166 -0.427 4.142 1.00 0.00 N ATOM 390 CA GLN A 26 -2.894 -0.408 4.854 1.00 0.00 C ATOM 391 C GLN A 26 -2.496 -1.813 5.296 1.00 0.00 C ATOM 392 O GLN A 26 -1.316 -2.100 5.495 1.00 0.00 O ATOM 393 CB GLN A 26 -2.980 0.516 6.070 1.00 0.00 C ATOM 394 CG GLN A 26 -3.057 1.991 5.708 1.00 0.00 C ATOM 395 CD GLN A 26 -4.453 2.421 5.305 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.289 2.732 6.154 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.714 2.440 4.003 1.00 0.00 N ATOM 0 H GLN A 26 -4.929 0.043 4.629 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.131 -0.031 4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.858 0.248 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.109 0.351 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.729 2.588 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.367 2.197 4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.991 2.174 3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.637 2.720 3.672 1.00 0.00 H new ATOM 406 N TRP A 27 -3.488 -2.683 5.447 1.00 0.00 N ATOM 407 CA TRP A 27 -3.241 -4.058 5.866 1.00 0.00 C ATOM 408 C TRP A 27 -3.790 -5.045 4.842 1.00 0.00 C ATOM 409 O TRP A 27 -4.939 -4.938 4.416 1.00 0.00 O ATOM 410 CB TRP A 27 -3.875 -4.318 7.233 1.00 0.00 C ATOM 411 CG TRP A 27 -3.501 -3.296 8.265 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.873 -1.982 8.289 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.681 -3.504 9.420 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.334 -1.361 9.390 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.599 -2.274 10.100 1.00 0.00 C ATOM 416 CE3 TRP A 27 -2.010 -4.611 9.946 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.872 -2.121 11.277 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -1.289 -4.458 11.115 1.00 0.00 C ATOM 419 CH2 TRP A 27 -1.225 -3.222 11.771 1.00 0.00 C ATOM 0 H TRP A 27 -4.470 -2.461 5.286 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.163 -4.201 5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.960 -4.335 7.125 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.574 -5.305 7.584 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.499 -1.502 7.551 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.460 -0.380 9.638 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.054 -5.568 9.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.820 -1.168 11.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.766 -5.307 11.530 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.654 -3.136 12.684 1.00 0.00 H new ATOM 430 N ALA A 28 -2.960 -6.007 4.450 1.00 0.00 N ATOM 431 CA ALA A 28 -3.364 -7.015 3.478 1.00 0.00 C ATOM 432 C ALA A 28 -3.505 -8.385 4.133 1.00 0.00 C ATOM 433 O ALA A 28 -2.836 -8.681 5.124 1.00 0.00 O ATOM 434 CB ALA A 28 -2.362 -7.076 2.334 1.00 0.00 C ATOM 0 H ALA A 28 -2.004 -6.109 4.791 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.338 -6.730 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.676 -7.833 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.313 -6.105 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.378 -7.334 2.726 1.00 0.00 H new ATOM 440 N ARG A 29 -4.378 -9.216 3.574 1.00 0.00 N ATOM 441 CA ARG A 29 -4.608 -10.554 4.106 1.00 0.00 C ATOM 442 C ARG A 29 -3.925 -11.608 3.239 1.00 0.00 C ATOM 443 O ARG A 29 -3.536 -11.335 2.104 1.00 0.00 O ATOM 444 CB ARG A 29 -6.108 -10.842 4.191 1.00 0.00 C ATOM 445 CG ARG A 29 -6.799 -10.137 5.347 1.00 0.00 C ATOM 446 CD ARG A 29 -6.771 -10.982 6.611 1.00 0.00 C ATOM 447 NE ARG A 29 -7.453 -10.325 7.724 1.00 0.00 N ATOM 448 CZ ARG A 29 -7.863 -10.963 8.814 1.00 0.00 C ATOM 449 NH1 ARG A 29 -7.660 -12.268 8.938 1.00 0.00 N ATOM 450 NH2 ARG A 29 -8.476 -10.296 9.783 1.00 0.00 N ATOM 0 H ARG A 29 -4.938 -8.987 2.753 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.180 -10.598 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.581 -10.539 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.258 -11.917 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.310 -9.181 5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.832 -9.919 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.243 -11.945 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.737 -11.185 6.889 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.623 -9.321 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.188 -12.784 8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.976 -12.756 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.633 -9.292 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.791 -10.787 10.620 1.00 0.00 H new ATOM 464 N ARG A 30 -3.783 -12.812 3.783 1.00 0.00 N ATOM 465 CA ARG A 30 -3.146 -13.907 3.061 1.00 0.00 C ATOM 466 C ARG A 30 -3.789 -14.100 1.691 1.00 0.00 C ATOM 467 O ARG A 30 -3.114 -14.449 0.722 1.00 0.00 O ATOM 468 CB ARG A 30 -3.240 -15.202 3.868 1.00 0.00 C ATOM 469 CG ARG A 30 -2.493 -16.367 3.240 1.00 0.00 C ATOM 470 CD ARG A 30 -3.148 -17.697 3.579 1.00 0.00 C ATOM 471 NE ARG A 30 -2.728 -18.197 4.885 1.00 0.00 N ATOM 472 CZ ARG A 30 -1.486 -18.580 5.161 1.00 0.00 C ATOM 473 NH1 ARG A 30 -0.547 -18.519 4.226 1.00 0.00 N ATOM 474 NH2 ARG A 30 -1.180 -19.023 6.373 1.00 0.00 N ATOM 0 H ARG A 30 -4.101 -13.054 4.722 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.096 -13.653 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.846 -15.026 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.289 -15.474 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.463 -16.240 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.460 -16.369 3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.232 -17.581 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.897 -18.430 2.812 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.426 -18.255 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.778 -18.178 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.406 -18.814 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.899 -19.070 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.226 -19.317 6.583 1.00 0.00 H new ATOM 488 N GLU A 31 -5.097 -13.873 1.619 1.00 0.00 N ATOM 489 CA GLU A 31 -5.830 -14.024 0.367 1.00 0.00 C ATOM 490 C GLU A 31 -5.400 -12.968 -0.647 1.00 0.00 C ATOM 491 O GLU A 31 -5.525 -13.165 -1.855 1.00 0.00 O ATOM 492 CB GLU A 31 -7.336 -13.923 0.617 1.00 0.00 C ATOM 493 CG GLU A 31 -7.779 -12.560 1.123 1.00 0.00 C ATOM 494 CD GLU A 31 -9.083 -12.619 1.895 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.906 -13.511 1.602 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.279 -11.773 2.792 1.00 0.00 O ATOM 0 H GLU A 31 -5.670 -13.584 2.412 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.601 -15.009 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.865 -14.147 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.627 -14.683 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.001 -12.144 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.892 -11.882 0.277 1.00 0.00 H new ATOM 503 N ASP A 32 -4.892 -11.847 -0.145 1.00 0.00 N ATOM 504 CA ASP A 32 -4.442 -10.760 -1.006 1.00 0.00 C ATOM 505 C ASP A 32 -2.957 -10.897 -1.324 1.00 0.00 C ATOM 506 O ASP A 32 -2.540 -10.735 -2.471 1.00 0.00 O ATOM 507 CB ASP A 32 -4.711 -9.409 -0.340 1.00 0.00 C ATOM 508 CG ASP A 32 -6.124 -8.915 -0.582 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.499 -8.743 -1.761 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.855 -8.701 0.407 1.00 0.00 O ATOM 0 H ASP A 32 -4.782 -11.668 0.853 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.001 -10.814 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.538 -9.495 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.002 -8.673 -0.719 1.00 0.00 H new ATOM 515 N TYR A 33 -2.163 -11.196 -0.302 1.00 0.00 N ATOM 516 CA TYR A 33 -0.724 -11.351 -0.471 1.00 0.00 C ATOM 517 C TYR A 33 -0.410 -12.289 -1.634 1.00 0.00 C ATOM 518 O TYR A 33 0.417 -11.977 -2.490 1.00 0.00 O ATOM 519 CB TYR A 33 -0.092 -11.887 0.815 1.00 0.00 C ATOM 520 CG TYR A 33 -0.029 -10.867 1.929 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.438 -9.580 1.693 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.436 -11.190 3.218 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.498 -8.644 2.708 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.381 -10.260 4.238 1.00 0.00 C ATOM 525 CZ TYR A 33 0.087 -8.989 3.978 1.00 0.00 C ATOM 526 OH TYR A 33 0.145 -8.061 4.993 1.00 0.00 O ATOM 0 H TYR A 33 -2.493 -11.336 0.653 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.303 -10.371 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.661 -12.751 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.917 -12.236 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.760 -9.306 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.801 -12.185 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.865 -7.648 2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.703 -10.527 5.234 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.749 -7.937 5.375 1.00 0.00 H new ATOM 536 N GLN A 34 -1.079 -13.437 -1.656 1.00 0.00 N ATOM 537 CA GLN A 34 -0.872 -14.421 -2.712 1.00 0.00 C ATOM 538 C GLN A 34 -0.951 -13.766 -4.088 1.00 0.00 C ATOM 539 O GLN A 34 -0.234 -14.151 -5.012 1.00 0.00 O ATOM 540 CB GLN A 34 -1.910 -15.539 -2.607 1.00 0.00 C ATOM 541 CG GLN A 34 -3.333 -15.076 -2.872 1.00 0.00 C ATOM 542 CD GLN A 34 -4.325 -16.222 -2.897 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.944 -17.390 -2.810 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.606 -15.895 -3.016 1.00 0.00 N ATOM 0 H GLN A 34 -1.769 -13.709 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 34 0.124 -14.847 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.656 -16.327 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.859 -15.978 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.628 -14.362 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.368 -14.549 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.878 -14.914 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.319 -16.624 -3.038 1.00 0.00 H new ATOM 553 N LYS A 35 -1.826 -12.776 -4.217 1.00 0.00 N ATOM 554 CA LYS A 35 -1.999 -12.066 -5.479 1.00 0.00 C ATOM 555 C LYS A 35 -0.840 -11.105 -5.726 1.00 0.00 C ATOM 556 O LYS A 35 -0.290 -11.050 -6.827 1.00 0.00 O ATOM 557 CB LYS A 35 -3.322 -11.297 -5.479 1.00 0.00 C ATOM 558 CG LYS A 35 -3.569 -10.511 -6.755 1.00 0.00 C ATOM 559 CD LYS A 35 -4.386 -9.258 -6.489 1.00 0.00 C ATOM 560 CE LYS A 35 -5.879 -9.551 -6.513 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.369 -9.817 -7.894 1.00 0.00 N ATOM 0 H LYS A 35 -2.428 -12.446 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.015 -12.803 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.141 -12.000 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.334 -10.611 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.615 -10.236 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.091 -11.140 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.111 -8.842 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.150 -8.503 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.090 -10.413 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.422 -8.705 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.405 -9.727 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.946 -9.130 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.098 -10.780 -8.179 1.00 0.00 H new ATOM 575 N LEU A 36 -0.473 -10.351 -4.696 1.00 0.00 N ATOM 576 CA LEU A 36 0.622 -9.393 -4.800 1.00 0.00 C ATOM 577 C LEU A 36 1.884 -10.065 -5.332 1.00 0.00 C ATOM 578 O LEU A 36 2.570 -9.520 -6.196 1.00 0.00 O ATOM 579 CB LEU A 36 0.903 -8.760 -3.437 1.00 0.00 C ATOM 580 CG LEU A 36 -0.100 -7.706 -2.966 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.099 -7.402 -1.490 1.00 0.00 C ATOM 582 CD2 LEU A 36 0.030 -6.437 -3.796 1.00 0.00 C ATOM 0 H LEU A 36 -0.918 -10.384 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 36 0.325 -8.613 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.942 -9.554 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.892 -8.303 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.106 -8.103 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.623 -6.650 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.046 -8.312 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.109 -7.025 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.691 -5.698 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.038 -6.036 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.164 -6.666 -4.844 1.00 0.00 H new ATOM 594 N GLU A 37 2.181 -11.251 -4.812 1.00 0.00 N ATOM 595 CA GLU A 37 3.360 -11.997 -5.236 1.00 0.00 C ATOM 596 C GLU A 37 3.243 -12.413 -6.699 1.00 0.00 C ATOM 597 O GLU A 37 4.192 -12.933 -7.285 1.00 0.00 O ATOM 598 CB GLU A 37 3.552 -13.234 -4.356 1.00 0.00 C ATOM 599 CG GLU A 37 4.664 -14.153 -4.833 1.00 0.00 C ATOM 600 CD GLU A 37 4.173 -15.209 -5.804 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.112 -14.996 -6.426 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.851 -16.249 -5.942 1.00 0.00 O ATOM 0 H GLU A 37 1.622 -11.716 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 37 4.228 -11.346 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.768 -12.914 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.618 -13.795 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.441 -13.558 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.121 -14.641 -3.972 1.00 0.00 H new ATOM 609 N GLN A 38 2.071 -12.181 -7.283 1.00 0.00 N ATOM 610 CA GLN A 38 1.830 -12.532 -8.677 1.00 0.00 C ATOM 611 C GLN A 38 1.942 -11.305 -9.575 1.00 0.00 C ATOM 612 O GLN A 38 2.324 -11.411 -10.741 1.00 0.00 O ATOM 613 CB GLN A 38 0.447 -13.168 -8.832 1.00 0.00 C ATOM 614 CG GLN A 38 0.222 -13.810 -10.192 1.00 0.00 C ATOM 615 CD GLN A 38 -0.853 -14.878 -10.161 1.00 0.00 C ATOM 616 OE1 GLN A 38 -0.708 -15.903 -9.494 1.00 0.00 O ATOM 617 NE2 GLN A 38 -1.942 -14.645 -10.886 1.00 0.00 N ATOM 0 H GLN A 38 1.274 -11.752 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 38 2.590 -13.252 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.314 -13.923 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.315 -12.406 -8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.056 -13.040 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.156 -14.250 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.021 -13.782 -11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.699 -15.329 -10.904 1.00 0.00 H new ATOM 626 N ILE A 39 1.607 -10.143 -9.026 1.00 0.00 N ATOM 627 CA ILE A 39 1.671 -8.896 -9.778 1.00 0.00 C ATOM 628 C ILE A 39 3.044 -8.246 -9.649 1.00 0.00 C ATOM 629 O ILE A 39 3.576 -7.694 -10.613 1.00 0.00 O ATOM 630 CB ILE A 39 0.597 -7.898 -9.305 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.283 -8.116 -7.824 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.663 -8.039 -10.146 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.554 -7.013 -7.215 1.00 0.00 C ATOM 0 H ILE A 39 1.288 -10.039 -8.063 1.00 0.00 H new ATOM 0 HA ILE A 39 1.487 -9.148 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 39 0.982 -6.886 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.241 -9.065 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.219 -8.199 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.413 -7.328 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.427 -7.838 -11.191 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.053 -9.052 -10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.738 -7.234 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.023 -6.065 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.505 -6.944 -7.743 1.00 0.00 H new ATOM 645 N THR A 40 3.617 -8.318 -8.451 1.00 0.00 N ATOM 646 CA THR A 40 4.929 -7.737 -8.195 1.00 0.00 C ATOM 647 C THR A 40 6.035 -8.764 -8.409 1.00 0.00 C ATOM 648 O THR A 40 7.173 -8.410 -8.716 1.00 0.00 O ATOM 649 CB THR A 40 5.029 -7.184 -6.761 1.00 0.00 C ATOM 650 OG1 THR A 40 4.575 -8.167 -5.824 1.00 0.00 O ATOM 651 CG2 THR A 40 4.203 -5.915 -6.613 1.00 0.00 C ATOM 0 H THR A 40 3.193 -8.773 -7.643 1.00 0.00 H new ATOM 0 HA THR A 40 5.055 -6.917 -8.902 1.00 0.00 H new ATOM 0 HB THR A 40 6.073 -6.945 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.596 -8.198 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.288 -5.542 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.570 -5.159 -7.307 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.158 -6.133 -6.833 1.00 0.00 H new ATOM 659 N GLY A 41 5.693 -10.039 -8.246 1.00 0.00 N ATOM 660 CA GLY A 41 6.669 -11.097 -8.426 1.00 0.00 C ATOM 661 C GLY A 41 7.627 -11.208 -7.256 1.00 0.00 C ATOM 662 O GLY A 41 8.679 -11.840 -7.363 1.00 0.00 O ATOM 0 H GLY A 41 4.758 -10.357 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.151 -12.047 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.235 -10.913 -9.339 1.00 0.00 H new ATOM 666 N LEU A 42 7.265 -10.592 -6.137 1.00 0.00 N ATOM 667 CA LEU A 42 8.101 -10.622 -4.942 1.00 0.00 C ATOM 668 C LEU A 42 7.528 -11.579 -3.901 1.00 0.00 C ATOM 669 O LEU A 42 6.314 -11.696 -3.731 1.00 0.00 O ATOM 670 CB LEU A 42 8.226 -9.218 -4.347 1.00 0.00 C ATOM 671 CG LEU A 42 9.052 -8.218 -5.157 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.708 -6.792 -4.753 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.539 -8.482 -4.974 1.00 0.00 C ATOM 0 H LEU A 42 6.398 -10.065 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 42 9.091 -10.977 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.224 -8.810 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.667 -9.304 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 42 8.809 -8.344 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.305 -6.094 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.650 -6.607 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.923 -6.652 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.111 -7.761 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.799 -8.384 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.774 -9.491 -5.313 1.00 0.00 H new ATOM 685 N PRO A 43 8.420 -12.278 -3.184 1.00 0.00 N ATOM 686 CA PRO A 43 8.027 -13.234 -2.145 1.00 0.00 C ATOM 687 C PRO A 43 7.011 -12.647 -1.171 1.00 0.00 C ATOM 688 O PRO A 43 7.034 -11.450 -0.884 1.00 0.00 O ATOM 689 CB PRO A 43 9.343 -13.539 -1.427 1.00 0.00 C ATOM 690 CG PRO A 43 10.400 -13.269 -2.441 1.00 0.00 C ATOM 691 CD PRO A 43 9.883 -12.189 -3.333 1.00 0.00 C ATOM 0 HA PRO A 43 7.541 -14.115 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.469 -12.909 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.377 -14.574 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.327 -12.960 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.623 -14.169 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.256 -11.210 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.190 -12.344 -4.367 1.00 0.00 H new ATOM 699 N ARG A 44 6.123 -13.496 -0.666 1.00 0.00 N ATOM 700 CA ARG A 44 5.099 -13.060 0.276 1.00 0.00 C ATOM 701 C ARG A 44 5.730 -12.396 1.496 1.00 0.00 C ATOM 702 O ARG A 44 5.284 -11.348 1.964 1.00 0.00 O ATOM 703 CB ARG A 44 4.240 -14.247 0.714 1.00 0.00 C ATOM 704 CG ARG A 44 4.121 -15.336 -0.340 1.00 0.00 C ATOM 705 CD ARG A 44 2.812 -16.097 -0.210 1.00 0.00 C ATOM 706 NE ARG A 44 2.529 -16.907 -1.392 1.00 0.00 N ATOM 707 CZ ARG A 44 3.140 -18.055 -1.660 1.00 0.00 C ATOM 708 NH1 ARG A 44 4.064 -18.527 -0.834 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.828 -18.734 -2.756 1.00 0.00 N ATOM 0 H ARG A 44 6.092 -14.490 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 44 4.466 -12.329 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.665 -14.676 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.242 -13.888 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.187 -14.891 -1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.957 -16.029 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.853 -16.740 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.997 -15.391 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 44 1.823 -16.572 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.307 -18.008 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.532 -19.409 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.118 -18.374 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.298 -19.616 -2.961 1.00 0.00 H new ATOM 723 N PRO A 45 6.793 -13.020 2.026 1.00 0.00 N ATOM 724 CA PRO A 45 7.508 -12.508 3.199 1.00 0.00 C ATOM 725 C PRO A 45 8.176 -11.165 2.929 1.00 0.00 C ATOM 726 O PRO A 45 8.490 -10.421 3.858 1.00 0.00 O ATOM 727 CB PRO A 45 8.561 -13.585 3.470 1.00 0.00 C ATOM 728 CG PRO A 45 8.075 -14.785 2.733 1.00 0.00 C ATOM 729 CD PRO A 45 7.378 -14.273 1.520 1.00 0.00 C ATOM 0 HA PRO A 45 6.837 -12.328 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.544 -13.275 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.655 -13.787 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.905 -15.436 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.398 -15.374 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.067 -14.100 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.617 -14.966 1.161 1.00 0.00 H new ATOM 737 N GLU A 46 8.391 -10.861 1.653 1.00 0.00 N ATOM 738 CA GLU A 46 9.023 -9.606 1.263 1.00 0.00 C ATOM 739 C GLU A 46 7.989 -8.490 1.145 1.00 0.00 C ATOM 740 O GLU A 46 8.277 -7.330 1.442 1.00 0.00 O ATOM 741 CB GLU A 46 9.762 -9.773 -0.066 1.00 0.00 C ATOM 742 CG GLU A 46 10.976 -8.870 -0.205 1.00 0.00 C ATOM 743 CD GLU A 46 11.865 -8.895 1.023 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.488 -9.945 1.284 1.00 0.00 O ATOM 745 OE2 GLU A 46 11.938 -7.862 1.722 1.00 0.00 O ATOM 0 H GLU A 46 8.137 -11.466 0.872 1.00 0.00 H new ATOM 0 HA GLU A 46 9.740 -9.334 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.078 -10.811 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.072 -9.568 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.556 -9.178 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.645 -7.848 -0.388 1.00 0.00 H new ATOM 752 N ILE A 47 6.786 -8.849 0.711 1.00 0.00 N ATOM 753 CA ILE A 47 5.710 -7.878 0.555 1.00 0.00 C ATOM 754 C ILE A 47 4.997 -7.630 1.880 1.00 0.00 C ATOM 755 O ILE A 47 4.692 -6.489 2.228 1.00 0.00 O ATOM 756 CB ILE A 47 4.679 -8.344 -0.491 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.388 -8.813 -1.763 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.701 -7.222 -0.806 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.459 -9.458 -2.769 1.00 0.00 C ATOM 0 H ILE A 47 6.532 -9.805 0.461 1.00 0.00 H new ATOM 0 HA ILE A 47 6.169 -6.950 0.213 1.00 0.00 H new ATOM 0 HB ILE A 47 4.119 -9.183 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.881 -7.960 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.169 -9.524 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.979 -7.566 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.177 -6.930 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.246 -6.365 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.029 -9.766 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.985 -10.330 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.693 -8.743 -3.068 1.00 0.00 H new ATOM 771 N ILE A 48 4.735 -8.706 2.615 1.00 0.00 N ATOM 772 CA ILE A 48 4.061 -8.604 3.903 1.00 0.00 C ATOM 773 C ILE A 48 4.771 -7.614 4.819 1.00 0.00 C ATOM 774 O ILE A 48 4.151 -6.698 5.358 1.00 0.00 O ATOM 775 CB ILE A 48 3.983 -9.972 4.607 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.087 -10.927 3.815 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.465 -9.808 6.028 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.428 -12.386 4.022 1.00 0.00 C ATOM 0 H ILE A 48 4.979 -9.658 2.340 1.00 0.00 H new ATOM 0 HA ILE A 48 3.050 -8.249 3.702 1.00 0.00 H new ATOM 0 HB ILE A 48 4.985 -10.398 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.049 -10.761 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.166 -10.691 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.416 -10.783 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.138 -9.159 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.470 -9.364 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.753 -13.005 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.456 -12.568 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.321 -12.638 5.077 1.00 0.00 H new ATOM 790 N GLN A 49 6.076 -7.804 4.989 1.00 0.00 N ATOM 791 CA GLN A 49 6.871 -6.926 5.839 1.00 0.00 C ATOM 792 C GLN A 49 6.866 -5.498 5.303 1.00 0.00 C ATOM 793 O GLN A 49 6.863 -4.536 6.071 1.00 0.00 O ATOM 794 CB GLN A 49 8.308 -7.441 5.938 1.00 0.00 C ATOM 795 CG GLN A 49 9.082 -6.862 7.111 1.00 0.00 C ATOM 796 CD GLN A 49 10.583 -6.935 6.913 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.277 -7.683 7.602 1.00 0.00 O ATOM 798 NE2 GLN A 49 11.093 -6.155 5.967 1.00 0.00 N ATOM 0 H GLN A 49 6.604 -8.558 4.549 1.00 0.00 H new ATOM 0 HA GLN A 49 6.424 -6.923 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.291 -8.527 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.835 -7.204 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.789 -5.822 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.813 -7.400 8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.481 -5.550 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.097 -6.161 5.788 1.00 0.00 H new ATOM 807 N TRP A 50 6.865 -5.368 3.981 1.00 0.00 N ATOM 808 CA TRP A 50 6.860 -4.057 3.342 1.00 0.00 C ATOM 809 C TRP A 50 5.724 -3.193 3.880 1.00 0.00 C ATOM 810 O TRP A 50 5.937 -2.046 4.273 1.00 0.00 O ATOM 811 CB TRP A 50 6.730 -4.206 1.825 1.00 0.00 C ATOM 812 CG TRP A 50 6.745 -2.897 1.096 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.845 -2.205 0.677 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.607 -2.122 0.702 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.460 -1.046 0.046 1.00 0.00 N ATOM 816 CE2 TRP A 50 6.092 -0.973 0.048 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.226 -2.288 0.837 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.243 0.003 -0.468 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.385 -1.319 0.325 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.896 -0.185 -0.322 1.00 0.00 C ATOM 0 H TRP A 50 6.868 -6.154 3.331 1.00 0.00 H new ATOM 0 HA TRP A 50 7.805 -3.565 3.572 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.546 -4.828 1.457 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.802 -4.730 1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.868 -2.522 0.820 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.090 -0.353 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.823 -3.159 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.634 0.878 -0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.316 -1.437 0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.213 0.555 -0.713 1.00 0.00 H new ATOM 831 N PHE A 51 4.518 -3.751 3.894 1.00 0.00 N ATOM 832 CA PHE A 51 3.349 -3.030 4.383 1.00 0.00 C ATOM 833 C PHE A 51 3.606 -2.455 5.773 1.00 0.00 C ATOM 834 O PHE A 51 3.163 -1.353 6.092 1.00 0.00 O ATOM 835 CB PHE A 51 2.131 -3.956 4.419 1.00 0.00 C ATOM 836 CG PHE A 51 1.384 -4.016 3.118 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.807 -4.855 2.099 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.260 -3.233 2.913 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.121 -4.912 0.900 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.430 -3.286 1.716 1.00 0.00 C ATOM 841 CZ PHE A 51 0.002 -4.126 0.708 1.00 0.00 C ATOM 0 H PHE A 51 4.325 -4.700 3.573 1.00 0.00 H new ATOM 0 HA PHE A 51 3.150 -2.205 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.457 -4.961 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.452 -3.620 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.682 -5.471 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.081 -2.573 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.460 -5.571 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.306 -2.671 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.534 -4.168 -0.228 1.00 0.00 H new ATOM 851 N GLY A 52 4.325 -3.212 6.596 1.00 0.00 N ATOM 852 CA GLY A 52 4.629 -2.762 7.942 1.00 0.00 C ATOM 853 C GLY A 52 5.518 -1.535 7.957 1.00 0.00 C ATOM 854 O GLY A 52 5.191 -0.530 8.588 1.00 0.00 O ATOM 0 H GLY A 52 4.702 -4.128 6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.699 -2.540 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.118 -3.568 8.489 1.00 0.00 H new ATOM 858 N ASP A 53 6.647 -1.616 7.261 1.00 0.00 N ATOM 859 CA ASP A 53 7.587 -0.503 7.196 1.00 0.00 C ATOM 860 C ASP A 53 6.949 0.709 6.527 1.00 0.00 C ATOM 861 O ASP A 53 7.233 1.853 6.886 1.00 0.00 O ATOM 862 CB ASP A 53 8.848 -0.917 6.436 1.00 0.00 C ATOM 863 CG ASP A 53 9.829 -1.675 7.309 1.00 0.00 C ATOM 864 OD1 ASP A 53 10.107 -1.207 8.432 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.318 -2.737 6.868 1.00 0.00 O ATOM 0 H ASP A 53 6.933 -2.441 6.734 1.00 0.00 H new ATOM 0 HA ASP A 53 7.860 -0.230 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.568 -1.538 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.335 -0.028 6.035 1.00 0.00 H new ATOM 870 N THR A 54 6.085 0.453 5.549 1.00 0.00 N ATOM 871 CA THR A 54 5.408 1.523 4.828 1.00 0.00 C ATOM 872 C THR A 54 4.603 2.403 5.777 1.00 0.00 C ATOM 873 O THR A 54 4.530 3.619 5.599 1.00 0.00 O ATOM 874 CB THR A 54 4.468 0.962 3.744 1.00 0.00 C ATOM 875 OG1 THR A 54 5.208 0.150 2.825 1.00 0.00 O ATOM 876 CG2 THR A 54 3.777 2.089 2.990 1.00 0.00 C ATOM 0 H THR A 54 5.838 -0.487 5.238 1.00 0.00 H new ATOM 0 HA THR A 54 6.183 2.123 4.352 1.00 0.00 H new ATOM 0 HB THR A 54 3.707 0.354 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.549 -0.643 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.119 1.668 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.190 2.687 3.687 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.526 2.720 2.512 1.00 0.00 H new ATOM 884 N ARG A 55 4.000 1.781 6.785 1.00 0.00 N ATOM 885 CA ARG A 55 3.200 2.509 7.763 1.00 0.00 C ATOM 886 C ARG A 55 4.049 3.538 8.503 1.00 0.00 C ATOM 887 O ARG A 55 3.695 4.715 8.571 1.00 0.00 O ATOM 888 CB ARG A 55 2.571 1.537 8.763 1.00 0.00 C ATOM 889 CG ARG A 55 1.430 0.717 8.181 1.00 0.00 C ATOM 890 CD ARG A 55 0.709 -0.077 9.259 1.00 0.00 C ATOM 891 NE ARG A 55 1.439 -1.286 9.629 1.00 0.00 N ATOM 892 CZ ARG A 55 2.424 -1.307 10.520 1.00 0.00 C ATOM 893 NH1 ARG A 55 2.794 -0.189 11.130 1.00 0.00 N ATOM 894 NH2 ARG A 55 3.040 -2.447 10.803 1.00 0.00 N ATOM 0 H ARG A 55 4.050 0.775 6.946 1.00 0.00 H new ATOM 0 HA ARG A 55 2.408 3.034 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.341 0.860 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.202 2.100 9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.723 1.379 7.681 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.819 0.036 7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.574 0.549 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.286 -0.348 8.905 1.00 0.00 H new ATOM 0 HE ARG A 55 1.178 -2.163 9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.322 0.689 10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.551 -0.208 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.758 -3.309 10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.796 -2.462 11.487 1.00 0.00 H new ATOM 908 N TYR A 56 5.169 3.086 9.055 1.00 0.00 N ATOM 909 CA TYR A 56 6.067 3.967 9.792 1.00 0.00 C ATOM 910 C TYR A 56 6.236 5.301 9.071 1.00 0.00 C ATOM 911 O TYR A 56 5.932 6.359 9.619 1.00 0.00 O ATOM 912 CB TYR A 56 7.431 3.299 9.979 1.00 0.00 C ATOM 913 CG TYR A 56 8.575 4.281 10.097 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.556 5.289 11.053 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.675 4.200 9.252 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.599 6.188 11.163 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.723 5.094 9.356 1.00 0.00 C ATOM 918 CZ TYR A 56 10.680 6.087 10.313 1.00 0.00 C ATOM 919 OH TYR A 56 11.721 6.980 10.420 1.00 0.00 O ATOM 0 H TYR A 56 5.477 2.115 9.006 1.00 0.00 H new ATOM 0 HA TYR A 56 5.626 4.157 10.770 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.402 2.678 10.874 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.619 2.634 9.136 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.712 5.371 11.721 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.711 3.425 8.501 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.568 6.966 11.911 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.571 5.016 8.692 1.00 0.00 H new ATOM 0 HH TYR A 56 12.403 6.769 9.748 1.00 0.00 H new ATOM 929 N ALA A 57 6.724 5.240 7.836 1.00 0.00 N ATOM 930 CA ALA A 57 6.932 6.441 7.037 1.00 0.00 C ATOM 931 C ALA A 57 5.656 7.272 6.952 1.00 0.00 C ATOM 932 O ALA A 57 5.671 8.479 7.198 1.00 0.00 O ATOM 933 CB ALA A 57 7.416 6.071 5.643 1.00 0.00 C ATOM 0 H ALA A 57 6.983 4.372 7.368 1.00 0.00 H new ATOM 0 HA ALA A 57 7.696 7.045 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.567 6.978 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.357 5.526 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.671 5.443 5.154 1.00 0.00 H new ATOM 939 N LEU A 58 4.553 6.619 6.603 1.00 0.00 N ATOM 940 CA LEU A 58 3.267 7.298 6.485 1.00 0.00 C ATOM 941 C LEU A 58 2.920 8.035 7.775 1.00 0.00 C ATOM 942 O LEU A 58 2.825 9.262 7.796 1.00 0.00 O ATOM 943 CB LEU A 58 2.166 6.292 6.147 1.00 0.00 C ATOM 944 CG LEU A 58 0.731 6.755 6.405 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.214 7.569 5.229 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.175 5.561 6.669 1.00 0.00 C ATOM 0 H LEU A 58 4.523 5.621 6.397 1.00 0.00 H new ATOM 0 HA LEU A 58 3.342 8.029 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.257 6.025 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.342 5.383 6.723 1.00 0.00 H new ATOM 0 HG LEU A 58 0.728 7.391 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.808 7.890 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.848 8.444 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.231 6.957 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.192 5.909 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.167 4.900 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.184 5.018 7.543 1.00 0.00 H new ATOM 958 N LYS A 59 2.734 7.277 8.851 1.00 0.00 N ATOM 959 CA LYS A 59 2.401 7.857 10.147 1.00 0.00 C ATOM 960 C LYS A 59 3.157 9.163 10.369 1.00 0.00 C ATOM 961 O LYS A 59 2.582 10.156 10.817 1.00 0.00 O ATOM 962 CB LYS A 59 2.728 6.869 11.269 1.00 0.00 C ATOM 963 CG LYS A 59 2.570 7.456 12.661 1.00 0.00 C ATOM 964 CD LYS A 59 3.856 8.107 13.142 1.00 0.00 C ATOM 965 CE LYS A 59 3.792 8.441 14.624 1.00 0.00 C ATOM 966 NZ LYS A 59 2.789 9.504 14.911 1.00 0.00 N ATOM 0 H LYS A 59 2.808 6.260 8.851 1.00 0.00 H new ATOM 0 HA LYS A 59 1.332 8.070 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.079 5.998 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.753 6.518 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.767 8.194 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.277 6.670 13.357 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.696 7.438 12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.040 9.017 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.541 7.543 15.188 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.774 8.767 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.776 9.703 15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.043 10.369 14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.847 9.183 14.609 1.00 0.00 H new ATOM 980 N HIS A 60 4.448 9.156 10.051 1.00 0.00 N ATOM 981 CA HIS A 60 5.281 10.342 10.214 1.00 0.00 C ATOM 982 C HIS A 60 4.968 11.379 9.139 1.00 0.00 C ATOM 983 O HIS A 60 4.981 12.581 9.400 1.00 0.00 O ATOM 984 CB HIS A 60 6.761 9.963 10.157 1.00 0.00 C ATOM 985 CG HIS A 60 7.283 9.388 11.438 1.00 0.00 C ATOM 986 ND1 HIS A 60 8.229 10.021 12.217 1.00 0.00 N ATOM 987 CD2 HIS A 60 6.983 8.233 12.077 1.00 0.00 C ATOM 988 CE1 HIS A 60 8.490 9.279 13.278 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.746 8.189 13.218 1.00 0.00 N ATOM 0 H HIS A 60 4.939 8.343 9.679 1.00 0.00 H new ATOM 0 HA HIS A 60 5.062 10.778 11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.911 9.239 9.356 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.344 10.848 9.901 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.275 7.485 11.750 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.192 9.522 14.062 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.739 7.437 13.907 1.00 0.00 H new ATOM 998 N GLY A 61 4.687 10.904 7.930 1.00 0.00 N ATOM 999 CA GLY A 61 4.375 11.802 6.834 1.00 0.00 C ATOM 1000 C GLY A 61 5.473 11.846 5.790 1.00 0.00 C ATOM 1001 O GLY A 61 5.751 12.900 5.217 1.00 0.00 O ATOM 0 H GLY A 61 4.670 9.913 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.443 11.487 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.210 12.806 7.226 1.00 0.00 H new ATOM 1005 N GLN A 62 6.099 10.700 5.543 1.00 0.00 N ATOM 1006 CA GLN A 62 7.175 10.614 4.563 1.00 0.00 C ATOM 1007 C GLN A 62 6.626 10.269 3.182 1.00 0.00 C ATOM 1008 O GLN A 62 6.962 10.918 2.190 1.00 0.00 O ATOM 1009 CB GLN A 62 8.202 9.565 4.992 1.00 0.00 C ATOM 1010 CG GLN A 62 9.132 10.040 6.097 1.00 0.00 C ATOM 1011 CD GLN A 62 9.619 11.459 5.879 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.239 11.765 4.860 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.341 12.335 6.838 1.00 0.00 N ATOM 0 H GLN A 62 5.880 9.819 6.008 1.00 0.00 H new ATOM 0 HA GLN A 62 7.662 11.588 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.677 8.671 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.798 9.277 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.613 9.981 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.990 9.371 6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.825 12.038 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.644 13.305 6.746 1.00 0.00 H new ATOM 1022 N LEU A 63 5.782 9.246 3.125 1.00 0.00 N ATOM 1023 CA LEU A 63 5.186 8.814 1.865 1.00 0.00 C ATOM 1024 C LEU A 63 4.732 10.013 1.038 1.00 0.00 C ATOM 1025 O LEU A 63 3.889 10.797 1.473 1.00 0.00 O ATOM 1026 CB LEU A 63 4.000 7.885 2.130 1.00 0.00 C ATOM 1027 CG LEU A 63 4.323 6.393 2.216 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.389 6.137 3.270 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.065 5.592 2.521 1.00 0.00 C ATOM 0 H LEU A 63 5.494 8.699 3.937 1.00 0.00 H new ATOM 0 HA LEU A 63 5.945 8.272 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.528 8.189 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.265 8.032 1.339 1.00 0.00 H new ATOM 0 HG LEU A 63 4.711 6.069 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.606 5.070 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.297 6.680 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.029 6.477 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.313 4.532 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.647 5.919 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.332 5.750 1.730 1.00 0.00 H new ATOM 1041 N LYS A 64 5.297 10.149 -0.157 1.00 0.00 N ATOM 1042 CA LYS A 64 4.949 11.250 -1.047 1.00 0.00 C ATOM 1043 C LYS A 64 3.751 10.887 -1.919 1.00 0.00 C ATOM 1044 O LYS A 64 3.033 11.764 -2.400 1.00 0.00 O ATOM 1045 CB LYS A 64 6.143 11.616 -1.931 1.00 0.00 C ATOM 1046 CG LYS A 64 7.461 11.678 -1.177 1.00 0.00 C ATOM 1047 CD LYS A 64 8.163 10.331 -1.171 1.00 0.00 C ATOM 1048 CE LYS A 64 9.675 10.491 -1.117 1.00 0.00 C ATOM 1049 NZ LYS A 64 10.221 11.036 -2.390 1.00 0.00 N ATOM 0 H LYS A 64 5.998 9.510 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 64 4.682 12.110 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.228 10.884 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.956 12.583 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.109 12.425 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.280 12.000 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.827 9.748 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.887 9.772 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.941 11.155 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.135 9.525 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.233 10.805 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.713 10.615 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.099 12.069 -2.406 1.00 0.00 H new ATOM 1063 N TRP A 65 3.540 9.591 -2.116 1.00 0.00 N ATOM 1064 CA TRP A 65 2.427 9.113 -2.929 1.00 0.00 C ATOM 1065 C TRP A 65 1.160 8.979 -2.092 1.00 0.00 C ATOM 1066 O TRP A 65 0.048 9.109 -2.606 1.00 0.00 O ATOM 1067 CB TRP A 65 2.776 7.767 -3.567 1.00 0.00 C ATOM 1068 CG TRP A 65 3.529 6.852 -2.649 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.865 6.889 -2.370 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.988 5.764 -1.891 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.188 5.889 -1.485 1.00 0.00 N ATOM 1072 CE2 TRP A 65 4.055 5.185 -1.175 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.708 5.223 -1.747 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.877 4.093 -0.330 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.534 4.139 -0.908 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.613 3.584 -0.207 1.00 0.00 C ATOM 0 H TRP A 65 4.124 8.852 -1.724 1.00 0.00 H new ATOM 0 HA TRP A 65 2.244 9.844 -3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.857 7.275 -3.885 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.371 7.941 -4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.565 7.600 -2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.121 5.701 -1.118 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.870 5.644 -2.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.708 3.663 0.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.549 3.712 -0.790 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.444 2.738 0.443 1.00 0.00 H new ATOM 1087 N PHE A 66 1.333 8.720 -0.800 1.00 0.00 N ATOM 1088 CA PHE A 66 0.202 8.569 0.108 1.00 0.00 C ATOM 1089 C PHE A 66 -0.436 9.921 0.411 1.00 0.00 C ATOM 1090 O PHE A 66 0.259 10.918 0.605 1.00 0.00 O ATOM 1091 CB PHE A 66 0.651 7.901 1.409 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.438 7.125 2.091 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.506 7.779 2.685 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.395 5.741 2.140 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.511 7.068 3.313 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.397 5.024 2.767 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.455 5.688 3.355 1.00 0.00 C ATOM 0 H PHE A 66 2.246 8.610 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.541 7.937 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.484 7.231 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.023 8.666 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.553 8.858 2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.431 5.216 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.339 7.590 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.352 3.945 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.238 5.130 3.847 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.765 9.946 0.450 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.498 11.175 0.728 1.00 0.00 C ATOM 1109 C ARG A 67 -2.207 12.233 -0.333 1.00 0.00 C ATOM 1110 O ARG A 67 -1.972 13.399 -0.013 1.00 0.00 O ATOM 1111 CB ARG A 67 -2.131 11.711 2.113 1.00 0.00 C ATOM 1112 CG ARG A 67 -3.014 11.175 3.227 1.00 0.00 C ATOM 1113 CD ARG A 67 -2.483 11.568 4.597 1.00 0.00 C ATOM 1114 NE ARG A 67 -2.986 12.871 5.026 1.00 0.00 N ATOM 1115 CZ ARG A 67 -2.398 13.616 5.954 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -1.291 13.191 6.548 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -2.916 14.790 6.291 1.00 0.00 N ATOM 0 H ARG A 67 -2.355 9.129 0.293 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.563 10.946 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.093 11.456 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.196 12.799 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.028 11.557 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.072 10.089 3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.769 10.811 5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.394 11.591 4.571 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.836 13.228 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.889 12.289 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.842 13.766 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.767 15.121 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.463 15.361 7.004 1.00 0.00 H new ATOM 1131 N ASP A 68 -2.224 11.819 -1.595 1.00 0.00 N ATOM 1132 CA ASP A 68 -1.963 12.730 -2.702 1.00 0.00 C ATOM 1133 C ASP A 68 -3.248 13.419 -3.153 1.00 0.00 C ATOM 1134 O ASP A 68 -4.148 12.781 -3.697 1.00 0.00 O ATOM 1135 CB ASP A 68 -1.336 11.975 -3.875 1.00 0.00 C ATOM 1136 CG ASP A 68 -0.566 12.890 -4.807 1.00 0.00 C ATOM 1137 OD1 ASP A 68 0.139 13.790 -4.306 1.00 0.00 O ATOM 1138 OD2 ASP A 68 -0.669 12.707 -6.039 1.00 0.00 O ATOM 0 H ASP A 68 -2.416 10.858 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.265 13.492 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.667 11.205 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.120 11.466 -4.436 1.00 0.00 H new ATOM 1143 N ASN A 69 -3.325 14.726 -2.923 1.00 0.00 N ATOM 1144 CA ASN A 69 -4.499 15.502 -3.304 1.00 0.00 C ATOM 1145 C ASN A 69 -5.781 14.789 -2.883 1.00 0.00 C ATOM 1146 O ASN A 69 -6.771 14.789 -3.614 1.00 0.00 O ATOM 1147 CB ASN A 69 -4.509 15.743 -4.815 1.00 0.00 C ATOM 1148 CG ASN A 69 -3.290 16.513 -5.284 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -2.464 15.993 -6.034 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -3.173 17.761 -4.844 1.00 0.00 N ATOM 0 H ASN A 69 -2.588 15.270 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.452 16.462 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.552 14.785 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.410 16.293 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.374 18.329 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.882 18.152 -4.223 1.00 0.00 H new ATOM 1157 N ALA A 70 -5.755 14.184 -1.701 1.00 0.00 N ATOM 1158 CA ALA A 70 -6.915 13.470 -1.181 1.00 0.00 C ATOM 1159 C ALA A 70 -7.935 14.437 -0.591 1.00 0.00 C ATOM 1160 O ALA A 70 -9.119 14.386 -0.925 1.00 0.00 O ATOM 1161 CB ALA A 70 -6.484 12.452 -0.136 1.00 0.00 C ATOM 0 H ALA A 70 -4.943 14.174 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.389 12.944 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.360 11.927 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.798 11.735 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.984 12.964 0.686 1.00 0.00 H new ATOM 1167 N SER A 71 -7.469 15.317 0.290 1.00 0.00 N ATOM 1168 CA SER A 71 -8.343 16.294 0.930 1.00 0.00 C ATOM 1169 C SER A 71 -9.659 15.649 1.355 1.00 0.00 C ATOM 1170 O SER A 71 -10.729 16.233 1.194 1.00 0.00 O ATOM 1171 CB SER A 71 -8.616 17.463 -0.017 1.00 0.00 C ATOM 1172 OG SER A 71 -9.138 18.577 0.687 1.00 0.00 O ATOM 0 H SER A 71 -6.492 15.373 0.577 1.00 0.00 H new ATOM 0 HA SER A 71 -7.838 16.669 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.694 17.748 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.321 17.153 -0.789 1.00 0.00 H new ATOM 0 HG SER A 71 -9.931 18.302 1.193 1.00 0.00 H new ATOM 1178 N GLY A 72 -9.570 14.439 1.898 1.00 0.00 N ATOM 1179 CA GLY A 72 -10.759 13.733 2.337 1.00 0.00 C ATOM 1180 C GLY A 72 -10.932 12.398 1.641 1.00 0.00 C ATOM 1181 O GLY A 72 -11.708 12.264 0.694 1.00 0.00 O ATOM 0 H GLY A 72 -8.695 13.935 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.706 13.573 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.636 14.353 2.150 1.00 0.00 H new ATOM 1185 N PRO A 73 -10.195 11.381 2.111 1.00 0.00 N ATOM 1186 CA PRO A 73 -10.253 10.032 1.540 1.00 0.00 C ATOM 1187 C PRO A 73 -11.578 9.335 1.831 1.00 0.00 C ATOM 1188 O PRO A 73 -12.175 8.722 0.947 1.00 0.00 O ATOM 1189 CB PRO A 73 -9.101 9.303 2.237 1.00 0.00 C ATOM 1190 CG PRO A 73 -8.914 10.032 3.522 1.00 0.00 C ATOM 1191 CD PRO A 73 -9.250 11.470 3.236 1.00 0.00 C ATOM 0 HA PRO A 73 -10.172 10.046 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.342 8.254 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.194 9.327 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.563 9.627 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.889 9.935 3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.700 11.958 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.363 12.045 2.971 1.00 0.00 H new ATOM 1199 N SER A 74 -12.032 9.435 3.076 1.00 0.00 N ATOM 1200 CA SER A 74 -13.285 8.811 3.484 1.00 0.00 C ATOM 1201 C SER A 74 -14.472 9.471 2.790 1.00 0.00 C ATOM 1202 O SER A 74 -14.433 10.657 2.462 1.00 0.00 O ATOM 1203 CB SER A 74 -13.454 8.901 5.002 1.00 0.00 C ATOM 1204 OG SER A 74 -14.767 8.538 5.392 1.00 0.00 O ATOM 0 H SER A 74 -11.551 9.942 3.819 1.00 0.00 H new ATOM 0 HA SER A 74 -13.252 7.762 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.732 8.247 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.240 9.917 5.335 1.00 0.00 H new ATOM 0 HG SER A 74 -14.848 8.602 6.367 1.00 0.00 H new ATOM 1210 N SER A 75 -15.528 8.694 2.568 1.00 0.00 N ATOM 1211 CA SER A 75 -16.725 9.201 1.909 1.00 0.00 C ATOM 1212 C SER A 75 -17.985 8.660 2.579 1.00 0.00 C ATOM 1213 O SER A 75 -18.030 7.505 3.001 1.00 0.00 O ATOM 1214 CB SER A 75 -16.719 8.818 0.427 1.00 0.00 C ATOM 1215 OG SER A 75 -17.778 9.453 -0.268 1.00 0.00 O ATOM 0 H SER A 75 -15.578 7.711 2.835 1.00 0.00 H new ATOM 0 HA SER A 75 -16.725 10.287 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 75 -15.766 9.099 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 75 -16.811 7.736 0.327 1.00 0.00 H new ATOM 0 HG SER A 75 -17.751 9.194 -1.213 1.00 0.00 H new ATOM 1221 N GLY A 76 -19.007 9.506 2.674 1.00 0.00 N ATOM 1222 CA GLY A 76 -20.253 9.096 3.295 1.00 0.00 C ATOM 1223 C GLY A 76 -21.289 10.203 3.301 1.00 0.00 C ATOM 1224 O GLY A 76 -22.368 10.049 3.872 1.00 0.00 O ATOM 0 H GLY A 76 -18.994 10.467 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.652 8.231 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.058 8.779 4.320 1.00 0.00 H new TER 1228 GLY A 76