USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 56 SER OG : rot -57:sc= 1.04 USER MOD Set 1.2: A 101 MET CE :methyl 156:sc= 0 (180deg=-0.889) USER MOD Single : A 5 TYR OH : rot 6:sc= 0.844 USER MOD Single : A 6 TYR OH : rot -61:sc= 0.509 USER MOD Single : A 7 GLN : amide:sc= 1.09 K(o=1.1,f=-0.00015) USER MOD Single : A 8 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.02) USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.145 K(o=0.14,f=-2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.253 K(o=0.25,f=-7.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.7 K(o=-0.7,f=-5.7!) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 1.04 (180deg=1.04) USER MOD Single : A 52 TYR OH : rot 180:sc= 0.00185 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 1.87 (180deg=1.83) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -40:sc= 0.00728 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.252 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 6.808 2.430 -4.190 1.00 0.00 N ATOM 50 CA ASP A 4 7.409 3.691 -4.605 1.00 0.00 C ATOM 51 C ASP A 4 7.852 3.638 -6.062 1.00 0.00 C ATOM 52 O ASP A 4 8.826 2.966 -6.401 1.00 0.00 O ATOM 53 CB ASP A 4 8.607 4.033 -3.715 1.00 0.00 C ATOM 54 CG ASP A 4 9.209 5.396 -4.029 1.00 0.00 C ATOM 55 OD1 ASP A 4 9.124 5.815 -5.159 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.748 6.006 -3.136 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.651 4.467 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.295 4.011 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.373 3.267 -3.835 1.00 0.00 H new ATOM 61 N TYR A 5 7.130 4.349 -6.921 1.00 0.00 N ATOM 62 CA TYR A 5 7.413 4.343 -8.350 1.00 0.00 C ATOM 63 C TYR A 5 8.830 4.824 -8.634 1.00 0.00 C ATOM 64 O TYR A 5 9.492 4.334 -9.548 1.00 0.00 O ATOM 65 CB TYR A 5 6.399 5.208 -9.102 1.00 0.00 C ATOM 66 CG TYR A 5 4.977 4.703 -9.008 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.668 3.654 -8.154 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.980 5.287 -9.777 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.370 3.191 -8.068 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.682 4.825 -9.690 1.00 0.00 C ATOM 71 CZ TYR A 5 2.375 3.782 -8.840 1.00 0.00 C ATOM 72 OH TYR A 5 1.081 3.322 -8.755 1.00 0.00 O ATOM 0 H TYR A 5 6.342 4.938 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 5 7.328 3.315 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.440 6.224 -8.709 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.688 5.260 -10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.444 3.199 -7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.220 6.103 -10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.128 2.374 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.906 5.280 -10.288 1.00 0.00 H new ATOM 0 HH TYR A 5 1.019 2.650 -8.044 1.00 0.00 H new ATOM 82 N TYR A 6 9.291 5.787 -7.843 1.00 0.00 N ATOM 83 CA TYR A 6 10.570 6.440 -8.096 1.00 0.00 C ATOM 84 C TYR A 6 11.735 5.552 -7.683 1.00 0.00 C ATOM 85 O TYR A 6 12.808 5.596 -8.285 1.00 0.00 O ATOM 86 CB TYR A 6 10.640 7.782 -7.363 1.00 0.00 C ATOM 87 CG TYR A 6 9.525 8.737 -7.730 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.770 9.336 -6.732 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.260 9.014 -9.062 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.751 10.207 -7.066 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.241 9.887 -9.396 1.00 0.00 C ATOM 92 CZ TYR A 6 7.489 10.482 -8.404 1.00 0.00 C ATOM 93 OH TYR A 6 6.476 11.350 -8.737 1.00 0.00 O ATOM 0 H TYR A 6 8.797 6.133 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 6 10.647 6.619 -9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.611 7.601 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.597 8.255 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.979 9.121 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.849 8.548 -9.838 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.160 10.673 -6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.034 10.103 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 6 5.622 10.998 -8.408 1.00 0.00 H new ATOM 103 N GLN A 7 11.518 4.743 -6.651 1.00 0.00 N ATOM 104 CA GLN A 7 12.485 3.725 -6.258 1.00 0.00 C ATOM 105 C GLN A 7 12.363 2.484 -7.134 1.00 0.00 C ATOM 106 O GLN A 7 13.282 1.668 -7.201 1.00 0.00 O ATOM 107 CB GLN A 7 12.298 3.346 -4.787 1.00 0.00 C ATOM 108 CG GLN A 7 12.675 4.446 -3.809 1.00 0.00 C ATOM 109 CD GLN A 7 12.565 3.997 -2.364 1.00 0.00 C ATOM 110 OE1 GLN A 7 13.315 3.128 -1.909 1.00 0.00 O ATOM 111 NE2 GLN A 7 11.627 4.588 -1.632 1.00 0.00 N ATOM 0 H GLN A 7 10.679 4.773 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 7 13.482 4.144 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.256 3.071 -4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.898 2.462 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.696 4.772 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.028 5.308 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.029 5.301 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.505 4.328 -0.653 1.00 0.00 H new ATOM 120 N THR A 8 11.224 2.347 -7.803 1.00 0.00 N ATOM 121 CA THR A 8 11.049 1.314 -8.816 1.00 0.00 C ATOM 122 C THR A 8 11.770 1.679 -10.107 1.00 0.00 C ATOM 123 O THR A 8 12.368 0.823 -10.760 1.00 0.00 O ATOM 124 CB THR A 8 9.556 1.070 -9.109 1.00 0.00 C ATOM 125 OG1 THR A 8 8.896 0.645 -7.909 1.00 0.00 O ATOM 126 CG2 THR A 8 9.389 0.004 -10.180 1.00 0.00 C ATOM 0 H THR A 8 10.406 2.940 -7.661 1.00 0.00 H new ATOM 0 HA THR A 8 11.485 0.397 -8.418 1.00 0.00 H new ATOM 0 HB THR A 8 9.114 2.000 -9.466 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.818 1.403 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.328 -0.154 -10.373 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.880 0.329 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.839 -0.928 -9.839 1.00 0.00 H new ATOM 134 N LEU A 9 11.710 2.955 -10.471 1.00 0.00 N ATOM 135 CA LEU A 9 12.328 3.431 -11.703 1.00 0.00 C ATOM 136 C LEU A 9 13.805 3.738 -11.496 1.00 0.00 C ATOM 137 O LEU A 9 14.602 3.666 -12.432 1.00 0.00 O ATOM 138 CB LEU A 9 11.603 4.684 -12.210 1.00 0.00 C ATOM 139 CG LEU A 9 10.212 4.452 -12.812 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.556 5.794 -13.107 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.339 3.616 -14.076 1.00 0.00 C ATOM 0 H LEU A 9 11.239 3.680 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 9 12.244 2.639 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.507 5.386 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.229 5.163 -12.963 1.00 0.00 H new ATOM 0 HG LEU A 9 9.585 3.911 -12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.567 5.629 -13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.461 6.364 -12.183 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.170 6.351 -13.815 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.350 3.451 -14.504 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.964 4.141 -14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.794 2.656 -13.833 1.00 0.00 H new ATOM 153 N GLY A 10 14.166 4.083 -10.264 1.00 0.00 N ATOM 154 CA GLY A 10 15.552 4.381 -9.927 1.00 0.00 C ATOM 155 C GLY A 10 15.908 5.819 -10.283 1.00 0.00 C ATOM 156 O GLY A 10 16.951 6.080 -10.882 1.00 0.00 O ATOM 0 H GLY A 10 13.516 4.163 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.714 4.217 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.214 3.697 -10.459 1.00 0.00 H new ATOM 160 N LEU A 11 15.035 6.749 -9.910 1.00 0.00 N ATOM 161 CA LEU A 11 15.317 8.170 -10.066 1.00 0.00 C ATOM 162 C LEU A 11 14.725 8.979 -8.918 1.00 0.00 C ATOM 163 O LEU A 11 13.989 8.447 -8.087 1.00 0.00 O ATOM 164 CB LEU A 11 14.756 8.679 -11.400 1.00 0.00 C ATOM 165 CG LEU A 11 13.258 9.003 -11.412 1.00 0.00 C ATOM 166 CD1 LEU A 11 12.847 9.460 -12.805 1.00 0.00 C ATOM 167 CD2 LEU A 11 12.469 7.774 -10.984 1.00 0.00 C ATOM 0 H LEU A 11 14.125 6.543 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 11 16.399 8.299 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.305 9.576 -11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.953 7.928 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 11 13.046 9.809 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.782 9.690 -12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.413 10.351 -13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.052 8.666 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.404 8.004 -10.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.669 6.955 -11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.769 7.481 -9.978 1.00 0.00 H new ATOM 179 N ALA A 12 15.050 10.267 -8.879 1.00 0.00 N ATOM 180 CA ALA A 12 14.540 11.154 -7.841 1.00 0.00 C ATOM 181 C ALA A 12 13.087 11.530 -8.102 1.00 0.00 C ATOM 182 O ALA A 12 12.656 11.618 -9.252 1.00 0.00 O ATOM 183 CB ALA A 12 15.400 12.405 -7.744 1.00 0.00 C ATOM 0 H ALA A 12 15.665 10.720 -9.555 1.00 0.00 H new ATOM 0 HA ALA A 12 14.585 10.620 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.006 13.058 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.424 12.124 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.386 12.931 -8.699 1.00 0.00 H new ATOM 189 N ARG A 13 12.335 11.750 -7.029 1.00 0.00 N ATOM 190 CA ARG A 13 10.932 12.129 -7.141 1.00 0.00 C ATOM 191 C ARG A 13 10.780 13.482 -7.824 1.00 0.00 C ATOM 192 O ARG A 13 9.700 13.826 -8.306 1.00 0.00 O ATOM 193 CB ARG A 13 10.281 12.182 -5.767 1.00 0.00 C ATOM 194 CG ARG A 13 10.793 13.289 -4.859 1.00 0.00 C ATOM 195 CD ARG A 13 10.195 13.207 -3.501 1.00 0.00 C ATOM 196 NE ARG A 13 10.652 14.287 -2.642 1.00 0.00 N ATOM 197 CZ ARG A 13 11.793 14.266 -1.927 1.00 0.00 C ATOM 198 NH1 ARG A 13 12.582 13.215 -1.980 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 12.120 15.301 -1.173 1.00 0.00 N ATOM 0 H ARG A 13 12.675 11.672 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 13 10.436 11.372 -7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.206 12.305 -5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.435 11.224 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.878 13.224 -4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.561 14.258 -5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.108 13.241 -3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.452 12.249 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 13 10.067 15.120 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.330 12.417 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.446 13.198 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.508 16.116 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.984 15.285 -0.632 1.00 0.00 H new ATOM 213 N GLY A 14 11.866 14.245 -7.863 1.00 0.00 N ATOM 214 CA GLY A 14 11.848 15.573 -8.466 1.00 0.00 C ATOM 215 C GLY A 14 12.532 15.569 -9.828 1.00 0.00 C ATOM 216 O GLY A 14 12.984 16.608 -10.309 1.00 0.00 O ATOM 0 H GLY A 14 12.771 13.967 -7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.818 15.912 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.349 16.282 -7.807 1.00 0.00 H new ATOM 220 N ALA A 15 12.604 14.394 -10.445 1.00 0.00 N ATOM 221 CA ALA A 15 13.243 14.251 -11.747 1.00 0.00 C ATOM 222 C ALA A 15 12.368 14.826 -12.855 1.00 0.00 C ATOM 223 O ALA A 15 11.273 14.328 -13.116 1.00 0.00 O ATOM 224 CB ALA A 15 13.555 12.789 -12.026 1.00 0.00 C ATOM 0 H ALA A 15 12.227 13.526 -10.063 1.00 0.00 H new ATOM 0 HA ALA A 15 14.177 14.813 -11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.032 12.699 -13.002 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.227 12.407 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.630 12.212 -12.019 1.00 0.00 H new ATOM 230 N SER A 16 12.859 15.876 -13.504 1.00 0.00 N ATOM 231 CA SER A 16 12.219 16.404 -14.703 1.00 0.00 C ATOM 232 C SER A 16 11.912 15.293 -15.697 1.00 0.00 C ATOM 233 O SER A 16 12.448 14.189 -15.596 1.00 0.00 O ATOM 234 CB SER A 16 13.108 17.447 -15.353 1.00 0.00 C ATOM 235 OG SER A 16 14.260 16.858 -15.893 1.00 0.00 O ATOM 0 H SER A 16 13.699 16.379 -13.219 1.00 0.00 H new ATOM 0 HA SER A 16 11.278 16.866 -14.407 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.556 17.962 -16.139 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.391 18.199 -14.617 1.00 0.00 H new ATOM 0 HG SER A 16 14.817 17.549 -16.308 1.00 0.00 H new ATOM 241 N ASP A 17 11.046 15.590 -16.660 1.00 0.00 N ATOM 242 CA ASP A 17 10.469 14.560 -17.516 1.00 0.00 C ATOM 243 C ASP A 17 11.535 13.904 -18.384 1.00 0.00 C ATOM 244 O ASP A 17 11.392 12.755 -18.798 1.00 0.00 O ATOM 245 CB ASP A 17 9.372 15.154 -18.405 1.00 0.00 C ATOM 246 CG ASP A 17 8.103 15.490 -17.635 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.955 15.014 -16.535 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.294 16.221 -18.154 1.00 0.00 O1- ATOM 0 H ASP A 17 10.728 16.537 -16.867 1.00 0.00 H new ATOM 0 HA ASP A 17 10.033 13.798 -16.869 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.750 16.057 -18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.133 14.447 -19.199 1.00 0.00 H new ATOM 253 N GLU A 18 12.606 14.644 -18.656 1.00 0.00 N ATOM 254 CA GLU A 18 13.698 14.136 -19.479 1.00 0.00 C ATOM 255 C GLU A 18 14.492 13.066 -18.742 1.00 0.00 C ATOM 256 O GLU A 18 14.950 12.095 -19.344 1.00 0.00 O ATOM 257 CB GLU A 18 14.626 15.279 -19.896 1.00 0.00 C ATOM 258 CG GLU A 18 14.002 16.276 -20.862 1.00 0.00 C ATOM 259 CD GLU A 18 13.536 15.638 -22.141 1.00 0.00 C ATOM 260 OE1 GLU A 18 14.305 14.929 -22.744 1.00 0.00 O ATOM 261 OE2 GLU A 18 12.408 15.860 -22.515 1.00 0.00 O1- ATOM 0 H GLU A 18 12.741 15.597 -18.318 1.00 0.00 H new ATOM 0 HA GLU A 18 13.262 13.685 -20.370 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.950 15.812 -19.002 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.519 14.856 -20.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.157 16.764 -20.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.730 17.054 -21.094 1.00 0.00 H new ATOM 268 N GLU A 19 14.653 13.250 -17.436 1.00 0.00 N ATOM 269 CA GLU A 19 15.277 12.240 -16.591 1.00 0.00 C ATOM 270 C GLU A 19 14.339 11.063 -16.356 1.00 0.00 C ATOM 271 O GLU A 19 14.784 9.935 -16.141 1.00 0.00 O ATOM 272 CB GLU A 19 15.695 12.849 -15.251 1.00 0.00 C ATOM 273 CG GLU A 19 16.823 13.864 -15.345 1.00 0.00 C ATOM 274 CD GLU A 19 18.084 13.285 -15.923 1.00 0.00 C ATOM 275 OE1 GLU A 19 18.409 12.170 -15.594 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.724 13.959 -16.696 1.00 0.00 O1- ATOM 0 H GLU A 19 14.359 14.091 -16.939 1.00 0.00 H new ATOM 0 HA GLU A 19 16.164 11.874 -17.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.828 13.329 -14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.001 12.046 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.499 14.703 -15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.033 14.259 -14.351 1.00 0.00 H new ATOM 283 N ILE A 20 13.039 11.332 -16.398 1.00 0.00 N ATOM 284 CA ILE A 20 12.035 10.276 -16.325 1.00 0.00 C ATOM 285 C ILE A 20 12.052 9.414 -17.580 1.00 0.00 C ATOM 286 O ILE A 20 12.040 8.185 -17.500 1.00 0.00 O ATOM 287 CB ILE A 20 10.628 10.869 -16.127 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.503 11.495 -14.735 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.567 9.799 -16.331 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.255 12.327 -14.551 1.00 0.00 C ATOM 0 H ILE A 20 12.655 12.273 -16.482 1.00 0.00 H new ATOM 0 HA ILE A 20 12.282 9.651 -15.467 1.00 0.00 H new ATOM 0 HB ILE A 20 10.473 11.651 -16.870 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.513 10.702 -13.988 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.376 12.120 -14.548 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.578 10.235 -16.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.644 9.399 -17.342 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.717 8.995 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.237 12.737 -13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.252 13.143 -15.274 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.375 11.702 -14.705 1.00 0.00 H new ATOM 302 N LYS A 21 12.080 10.063 -18.739 1.00 0.00 N ATOM 303 CA LYS A 21 12.283 9.366 -20.003 1.00 0.00 C ATOM 304 C LYS A 21 13.474 8.418 -19.924 1.00 0.00 C ATOM 305 O LYS A 21 13.366 7.243 -20.272 1.00 0.00 O ATOM 306 CB LYS A 21 12.484 10.368 -21.140 1.00 0.00 C ATOM 307 CG LYS A 21 11.222 11.118 -21.549 1.00 0.00 C ATOM 308 CD LYS A 21 11.524 12.181 -22.593 1.00 0.00 C ATOM 309 CE LYS A 21 10.285 13.001 -22.924 1.00 0.00 C ATOM 310 NZ LYS A 21 10.586 14.104 -23.877 1.00 0.00 N1+ ATOM 0 H LYS A 21 11.964 11.072 -18.829 1.00 0.00 H new ATOM 0 HA LYS A 21 11.390 8.775 -20.205 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.241 11.092 -20.840 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.875 9.839 -22.009 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.490 10.414 -21.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.773 11.584 -20.672 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.311 12.840 -22.227 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.901 11.707 -23.499 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.523 12.350 -23.352 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.870 13.418 -22.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.705 14.596 -24.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.243 14.777 -23.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.021 13.711 -24.736 1.00 0.00 H new ATOM 324 N ARG A 22 14.607 8.937 -19.465 1.00 0.00 N ATOM 325 CA ARG A 22 15.823 8.141 -19.352 1.00 0.00 C ATOM 326 C ARG A 22 15.640 6.992 -18.369 1.00 0.00 C ATOM 327 O ARG A 22 15.799 5.825 -18.727 1.00 0.00 O ATOM 328 CB ARG A 22 16.991 9.007 -18.903 1.00 0.00 C ATOM 329 CG ARG A 22 18.309 8.269 -18.738 1.00 0.00 C ATOM 330 CD ARG A 22 19.380 9.164 -18.228 1.00 0.00 C ATOM 331 NE ARG A 22 19.066 9.688 -16.908 1.00 0.00 N ATOM 332 CZ ARG A 22 19.170 8.987 -15.763 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.580 7.738 -15.790 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 18.859 9.556 -14.611 1.00 0.00 N ATOM 0 H ARG A 22 14.709 9.907 -19.165 1.00 0.00 H new ATOM 0 HA ARG A 22 16.036 7.729 -20.338 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.129 9.809 -19.628 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.733 9.476 -17.954 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.175 7.434 -18.051 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.613 7.848 -19.696 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.322 8.616 -18.187 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.523 9.992 -18.923 1.00 0.00 H new ATOM 0 HE ARG A 22 18.745 10.654 -16.845 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.820 7.299 -16.679 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.658 7.208 -14.922 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.541 10.525 -14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.937 9.026 -13.743 1.00 0.00 H new ATOM 348 N ALA A 23 15.304 7.329 -17.128 1.00 0.00 N ATOM 349 CA ALA A 23 15.084 6.326 -16.094 1.00 0.00 C ATOM 350 C ALA A 23 14.179 5.207 -16.595 1.00 0.00 C ATOM 351 O ALA A 23 14.470 4.026 -16.402 1.00 0.00 O ATOM 352 CB ALA A 23 14.491 6.969 -14.849 1.00 0.00 C ATOM 0 H ALA A 23 15.178 8.291 -16.814 1.00 0.00 H new ATOM 0 HA ALA A 23 16.050 5.889 -15.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.333 6.207 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.177 7.726 -14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.538 7.435 -15.099 1.00 0.00 H new ATOM 358 N TYR A 24 13.081 5.586 -17.240 1.00 0.00 N ATOM 359 CA TYR A 24 12.105 4.617 -17.727 1.00 0.00 C ATOM 360 C TYR A 24 12.699 3.744 -18.825 1.00 0.00 C ATOM 361 O TYR A 24 12.522 2.525 -18.825 1.00 0.00 O ATOM 362 CB TYR A 24 10.851 5.330 -18.236 1.00 0.00 C ATOM 363 CG TYR A 24 9.845 4.407 -18.886 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.165 3.472 -18.119 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.604 4.493 -20.249 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.245 2.629 -18.712 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.685 3.649 -20.842 1.00 0.00 C ATOM 368 CZ TYR A 24 8.007 2.720 -20.079 1.00 0.00 C ATOM 369 OH TYR A 24 7.093 1.880 -20.670 1.00 0.00 O ATOM 0 H TYR A 24 12.844 6.558 -17.438 1.00 0.00 H new ATOM 0 HA TYR A 24 11.828 3.972 -16.893 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.373 5.844 -17.402 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.146 6.095 -18.955 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.355 3.403 -17.058 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.135 5.219 -20.847 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.713 1.902 -18.116 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.497 3.716 -21.903 1.00 0.00 H new ATOM 0 HH TYR A 24 6.471 2.405 -21.216 1.00 0.00 H new ATOM 379 N ARG A 25 13.403 4.373 -19.760 1.00 0.00 N ATOM 380 CA ARG A 25 14.030 3.653 -20.861 1.00 0.00 C ATOM 381 C ARG A 25 14.938 2.542 -20.346 1.00 0.00 C ATOM 382 O ARG A 25 14.849 1.398 -20.794 1.00 0.00 O ATOM 383 CB ARG A 25 14.840 4.604 -21.730 1.00 0.00 C ATOM 384 CG ARG A 25 15.547 3.950 -22.907 1.00 0.00 C ATOM 385 CD ARG A 25 16.636 4.808 -23.440 1.00 0.00 C ATOM 386 NE ARG A 25 17.704 4.992 -22.471 1.00 0.00 N ATOM 387 CZ ARG A 25 18.568 6.026 -22.471 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.475 6.959 -23.393 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.508 6.104 -21.545 1.00 0.00 N ATOM 0 H ARG A 25 13.554 5.382 -19.777 1.00 0.00 H new ATOM 0 HA ARG A 25 13.234 3.208 -21.457 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.176 5.381 -22.110 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.585 5.098 -21.106 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.959 2.990 -22.596 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.825 3.746 -23.697 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.042 4.359 -24.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.229 5.779 -23.720 1.00 0.00 H new ATOM 0 HE ARG A 25 17.807 4.289 -21.739 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.749 6.900 -24.107 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.129 7.742 -23.394 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.580 5.381 -20.829 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.161 6.887 -21.546 1.00 0.00 H new ATOM 403 N ARG A 26 15.810 2.886 -19.405 1.00 0.00 N ATOM 404 CA ARG A 26 16.663 1.899 -18.755 1.00 0.00 C ATOM 405 C ARG A 26 15.844 0.739 -18.203 1.00 0.00 C ATOM 406 O ARG A 26 16.194 -0.426 -18.391 1.00 0.00 O ATOM 407 CB ARG A 26 17.457 2.539 -17.625 1.00 0.00 C ATOM 408 CG ARG A 26 18.313 1.575 -16.820 1.00 0.00 C ATOM 409 CD ARG A 26 18.985 2.255 -15.683 1.00 0.00 C ATOM 410 NE ARG A 26 18.028 2.779 -14.722 1.00 0.00 N ATOM 411 CZ ARG A 26 18.318 3.688 -13.771 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.539 4.164 -13.667 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.375 4.102 -12.942 1.00 0.00 N ATOM 0 H ARG A 26 15.945 3.842 -19.075 1.00 0.00 H new ATOM 0 HA ARG A 26 17.351 1.514 -19.508 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.102 3.311 -18.045 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.762 3.037 -16.949 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.691 0.764 -16.442 1.00 0.00 H new ATOM 0 HG3 ARG A 26 19.063 1.125 -17.470 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.653 1.553 -15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.603 3.070 -16.061 1.00 0.00 H new ATOM 0 HE ARG A 26 17.069 2.434 -14.771 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.267 3.845 -14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.758 4.852 -12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.427 3.733 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.595 4.790 -12.222 1.00 0.00 H new ATOM 427 N GLN A 27 14.752 1.066 -17.520 1.00 0.00 N ATOM 428 CA GLN A 27 13.948 0.062 -16.835 1.00 0.00 C ATOM 429 C GLN A 27 13.196 -0.813 -17.830 1.00 0.00 C ATOM 430 O GLN A 27 13.168 -2.037 -17.699 1.00 0.00 O ATOM 431 CB GLN A 27 12.961 0.729 -15.874 1.00 0.00 C ATOM 432 CG GLN A 27 13.609 1.359 -14.654 1.00 0.00 C ATOM 433 CD GLN A 27 14.352 0.345 -13.805 1.00 0.00 C ATOM 434 OE1 GLN A 27 14.188 -0.867 -13.974 1.00 0.00 O ATOM 435 NE2 GLN A 27 15.176 0.834 -12.885 1.00 0.00 N ATOM 0 H GLN A 27 14.404 2.020 -17.426 1.00 0.00 H new ATOM 0 HA GLN A 27 14.625 -0.573 -16.264 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.407 1.497 -16.415 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.235 -0.014 -15.543 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.302 2.137 -14.975 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.843 1.844 -14.049 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.281 1.843 -12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.703 0.200 -12.284 1.00 0.00 H new ATOM 444 N ALA A 28 12.585 -0.178 -18.824 1.00 0.00 N ATOM 445 CA ALA A 28 11.831 -0.898 -19.843 1.00 0.00 C ATOM 446 C ALA A 28 12.743 -1.780 -20.686 1.00 0.00 C ATOM 447 O ALA A 28 12.348 -2.862 -21.120 1.00 0.00 O ATOM 448 CB ALA A 28 11.074 0.081 -20.731 1.00 0.00 C ATOM 0 H ALA A 28 12.597 0.835 -18.946 1.00 0.00 H new ATOM 0 HA ALA A 28 11.114 -1.544 -19.336 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.516 -0.471 -21.487 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.383 0.664 -20.123 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.781 0.751 -21.219 1.00 0.00 H new ATOM 454 N LEU A 29 13.965 -1.311 -20.913 1.00 0.00 N ATOM 455 CA LEU A 29 15.001 -2.136 -21.523 1.00 0.00 C ATOM 456 C LEU A 29 15.352 -3.323 -20.636 1.00 0.00 C ATOM 457 O LEU A 29 15.539 -4.439 -21.122 1.00 0.00 O ATOM 458 CB LEU A 29 16.258 -1.298 -21.789 1.00 0.00 C ATOM 459 CG LEU A 29 16.142 -0.263 -22.915 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.385 0.616 -22.926 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.967 -0.980 -24.247 1.00 0.00 C ATOM 0 H LEU A 29 14.263 -0.363 -20.683 1.00 0.00 H new ATOM 0 HA LEU A 29 14.613 -2.516 -22.468 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.527 -0.778 -20.869 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.080 -1.974 -22.025 1.00 0.00 H new ATOM 0 HG LEU A 29 15.272 0.373 -22.750 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.303 1.352 -23.726 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.476 1.129 -21.969 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.267 -0.003 -23.091 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.884 -0.245 -25.048 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.829 -1.622 -24.431 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.062 -1.587 -24.217 1.00 0.00 H new ATOM 473 N ARG A 30 15.442 -3.078 -19.334 1.00 0.00 N ATOM 474 CA ARG A 30 15.817 -4.116 -18.382 1.00 0.00 C ATOM 475 C ARG A 30 14.784 -5.235 -18.351 1.00 0.00 C ATOM 476 O ARG A 30 15.132 -6.413 -18.296 1.00 0.00 O ATOM 477 CB ARG A 30 15.969 -3.532 -16.985 1.00 0.00 C ATOM 478 CG ARG A 30 16.393 -4.528 -15.918 1.00 0.00 C ATOM 479 CD ARG A 30 17.754 -5.065 -16.178 1.00 0.00 C ATOM 480 NE ARG A 30 18.198 -5.954 -15.118 1.00 0.00 N ATOM 481 CZ ARG A 30 19.343 -6.664 -15.143 1.00 0.00 C ATOM 482 NH1 ARG A 30 20.146 -6.579 -16.180 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 19.658 -7.447 -14.126 1.00 0.00 N ATOM 0 H ARG A 30 15.260 -2.167 -18.913 1.00 0.00 H new ATOM 0 HA ARG A 30 16.772 -4.529 -18.708 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.702 -2.726 -17.022 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.020 -3.086 -16.688 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.373 -4.045 -14.941 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.678 -5.350 -15.883 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.757 -5.602 -17.127 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.458 -4.238 -16.277 1.00 0.00 H new ATOM 0 HE ARG A 30 17.601 -6.047 -14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.902 -5.976 -16.966 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.013 -7.116 -16.199 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.034 -7.514 -13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.525 -7.984 -14.145 1.00 0.00 H new ATOM 497 N TYR A 31 13.510 -4.858 -18.388 1.00 0.00 N ATOM 498 CA TYR A 31 12.423 -5.819 -18.251 1.00 0.00 C ATOM 499 C TYR A 31 11.771 -6.109 -19.597 1.00 0.00 C ATOM 500 O TYR A 31 10.747 -6.789 -19.668 1.00 0.00 O ATOM 501 CB TYR A 31 11.379 -5.308 -17.255 1.00 0.00 C ATOM 502 CG TYR A 31 11.834 -5.360 -15.814 1.00 0.00 C ATOM 503 CD1 TYR A 31 12.637 -4.352 -15.303 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.449 -6.418 -15.003 1.00 0.00 C ATOM 505 CE1 TYR A 31 13.053 -4.399 -13.986 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.865 -6.465 -13.686 1.00 0.00 C ATOM 507 CZ TYR A 31 12.663 -5.461 -13.178 1.00 0.00 C ATOM 508 OH TYR A 31 13.078 -5.509 -11.867 1.00 0.00 O ATOM 0 H TYR A 31 13.205 -3.892 -18.512 1.00 0.00 H new ATOM 0 HA TYR A 31 12.845 -6.750 -17.872 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.122 -4.280 -17.508 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.469 -5.899 -17.361 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.938 -3.529 -15.935 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.825 -7.204 -15.401 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.678 -3.614 -13.586 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.565 -7.288 -13.054 1.00 0.00 H new ATOM 0 HH TYR A 31 12.718 -6.314 -11.439 1.00 0.00 H new ATOM 518 N HIS A 32 12.369 -5.590 -20.663 1.00 0.00 N ATOM 519 CA HIS A 32 12.013 -5.998 -22.017 1.00 0.00 C ATOM 520 C HIS A 32 11.990 -7.515 -22.146 1.00 0.00 C ATOM 521 O HIS A 32 12.851 -8.208 -21.604 1.00 0.00 O ATOM 522 CB HIS A 32 12.994 -5.408 -23.035 1.00 0.00 C ATOM 523 CG HIS A 32 12.533 -5.532 -24.455 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.638 -6.706 -25.171 1.00 0.00 N ATOM 525 CD2 HIS A 32 11.968 -4.630 -25.291 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.155 -6.521 -26.387 1.00 0.00 C ATOM 527 NE2 HIS A 32 11.743 -5.269 -26.485 1.00 0.00 N ATOM 0 H HIS A 32 13.104 -4.884 -20.616 1.00 0.00 H new ATOM 0 HA HIS A 32 11.013 -5.617 -22.223 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.154 -4.355 -22.805 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.957 -5.907 -22.930 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.737 -3.600 -25.062 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.105 -7.266 -27.168 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.325 -4.846 -27.314 1.00 0.00 H new ATOM 535 N PRO A 33 10.999 -8.028 -22.868 1.00 0.00 N ATOM 536 CA PRO A 33 10.808 -9.468 -22.995 1.00 0.00 C ATOM 537 C PRO A 33 12.092 -10.157 -23.438 1.00 0.00 C ATOM 538 O PRO A 33 12.392 -11.269 -23.005 1.00 0.00 O ATOM 539 CB PRO A 33 9.711 -9.578 -24.058 1.00 0.00 C ATOM 540 CG PRO A 33 8.869 -8.367 -23.842 1.00 0.00 C ATOM 541 CD PRO A 33 9.857 -7.280 -23.508 1.00 0.00 C ATOM 0 HA PRO A 33 10.539 -9.952 -22.056 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.131 -9.596 -25.064 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.131 -10.493 -23.938 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.292 -8.120 -24.733 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.155 -8.518 -23.032 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.179 -6.742 -24.400 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.429 -6.543 -22.829 1.00 0.00 H new ATOM 549 N ASP A 34 12.846 -9.490 -24.305 1.00 0.00 N ATOM 550 CA ASP A 34 14.072 -10.060 -24.852 1.00 0.00 C ATOM 551 C ASP A 34 15.267 -9.759 -23.958 1.00 0.00 C ATOM 552 O ASP A 34 16.412 -10.017 -24.328 1.00 0.00 O ATOM 553 CB ASP A 34 14.333 -9.521 -26.260 1.00 0.00 C ATOM 554 CG ASP A 34 13.298 -9.988 -27.275 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.697 -11.013 -27.053 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.118 -9.316 -28.262 1.00 0.00 O1- ATOM 0 H ASP A 34 12.629 -8.553 -24.644 1.00 0.00 H new ATOM 0 HA ASP A 34 13.940 -11.141 -24.900 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.340 -8.431 -26.231 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.324 -9.837 -26.587 1.00 0.00 H new ATOM 561 N LYS A 35 14.994 -9.213 -22.778 1.00 0.00 N ATOM 562 CA LYS A 35 16.051 -8.803 -21.860 1.00 0.00 C ATOM 563 C LYS A 35 15.848 -9.412 -20.478 1.00 0.00 C ATOM 564 O LYS A 35 16.809 -9.655 -19.749 1.00 0.00 O ATOM 565 CB LYS A 35 16.109 -7.278 -21.758 1.00 0.00 C ATOM 566 CG LYS A 35 16.469 -6.574 -23.060 1.00 0.00 C ATOM 567 CD LYS A 35 17.876 -6.934 -23.512 1.00 0.00 C ATOM 568 CE LYS A 35 18.270 -6.166 -24.764 1.00 0.00 C ATOM 569 NZ LYS A 35 19.635 -6.528 -25.233 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.049 -9.044 -22.434 1.00 0.00 H new ATOM 0 HA LYS A 35 16.998 -9.168 -22.258 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.141 -6.912 -21.417 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.840 -7.004 -20.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.754 -6.850 -23.835 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.393 -5.495 -22.926 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.584 -6.716 -22.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.934 -8.005 -23.707 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.549 -6.369 -25.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.228 -5.096 -24.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.864 -5.982 -26.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.327 -6.311 -24.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.669 -7.544 -25.451 1.00 0.00 H new ATOM 583 N ASN A 36 14.591 -9.659 -20.125 1.00 0.00 N ATOM 584 CA ASN A 36 14.263 -10.285 -18.849 1.00 0.00 C ATOM 585 C ASN A 36 12.932 -11.022 -18.924 1.00 0.00 C ATOM 586 O ASN A 36 11.872 -10.402 -19.011 1.00 0.00 O ATOM 587 CB ASN A 36 14.240 -9.252 -17.738 1.00 0.00 C ATOM 588 CG ASN A 36 14.027 -9.866 -16.382 1.00 0.00 C ATOM 589 OD1 ASN A 36 13.619 -11.027 -16.271 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.295 -9.108 -15.349 1.00 0.00 N ATOM 0 H ASN A 36 13.782 -9.435 -20.705 1.00 0.00 H new ATOM 0 HA ASN A 36 15.039 -11.017 -18.625 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.181 -8.701 -17.740 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.447 -8.530 -17.934 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.169 -9.471 -14.404 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.630 -8.155 -15.489 1.00 0.00 H new ATOM 597 N LYS A 37 12.993 -12.349 -18.889 1.00 0.00 N ATOM 598 CA LYS A 37 11.794 -13.173 -18.974 1.00 0.00 C ATOM 599 C LYS A 37 11.636 -14.045 -17.734 1.00 0.00 C ATOM 600 O LYS A 37 12.130 -15.171 -17.688 1.00 0.00 O ATOM 601 CB LYS A 37 11.832 -14.047 -20.229 1.00 0.00 C ATOM 602 CG LYS A 37 10.486 -14.212 -20.921 1.00 0.00 C ATOM 603 CD LYS A 37 9.538 -15.064 -20.090 1.00 0.00 C ATOM 604 CE LYS A 37 8.227 -15.308 -20.821 1.00 0.00 C ATOM 605 NZ LYS A 37 7.179 -15.858 -19.918 1.00 0.00 N1+ ATOM 0 H LYS A 37 13.861 -12.877 -18.802 1.00 0.00 H new ATOM 0 HA LYS A 37 10.935 -12.505 -19.034 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.540 -13.615 -20.936 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.212 -15.033 -19.959 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.041 -13.232 -21.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.631 -14.673 -21.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.011 -16.019 -19.860 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.340 -14.569 -19.139 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.876 -14.373 -21.257 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.395 -16.001 -21.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.355 -16.152 -20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.559 -16.679 -19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.890 -15.128 -19.236 1.00 0.00 H new ATOM 619 N GLU A 38 10.945 -13.517 -16.730 1.00 0.00 N ATOM 620 CA GLU A 38 10.746 -14.233 -15.476 1.00 0.00 C ATOM 621 C GLU A 38 9.416 -13.859 -14.833 1.00 0.00 C ATOM 622 O GLU A 38 9.098 -12.680 -14.683 1.00 0.00 O ATOM 623 CB GLU A 38 11.893 -13.941 -14.506 1.00 0.00 C ATOM 624 CG GLU A 38 11.804 -14.687 -13.183 1.00 0.00 C ATOM 625 CD GLU A 38 12.977 -14.423 -12.281 1.00 0.00 C ATOM 626 OE1 GLU A 38 13.834 -13.661 -12.662 1.00 0.00 O ATOM 627 OE2 GLU A 38 13.017 -14.982 -11.212 1.00 0.00 O1- ATOM 0 H GLU A 38 10.513 -12.594 -16.761 1.00 0.00 H new ATOM 0 HA GLU A 38 10.731 -15.299 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.836 -14.196 -14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.918 -12.870 -14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.886 -14.399 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.737 -15.757 -13.379 1.00 0.00 H new ATOM 634 N PRO A 39 8.643 -14.872 -14.453 1.00 0.00 N ATOM 635 CA PRO A 39 7.379 -14.652 -13.762 1.00 0.00 C ATOM 636 C PRO A 39 7.574 -13.801 -12.513 1.00 0.00 C ATOM 637 O PRO A 39 8.437 -14.087 -11.683 1.00 0.00 O ATOM 638 CB PRO A 39 6.927 -16.073 -13.410 1.00 0.00 C ATOM 639 CG PRO A 39 7.557 -16.926 -14.457 1.00 0.00 C ATOM 640 CD PRO A 39 8.911 -16.308 -14.679 1.00 0.00 C ATOM 0 HA PRO A 39 6.648 -14.110 -14.362 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.256 -16.360 -12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.841 -16.161 -13.425 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.642 -17.962 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.967 -16.931 -15.374 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.655 -16.697 -13.984 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.285 -16.498 -15.685 1.00 0.00 H new ATOM 648 N GLY A 40 6.769 -12.751 -12.388 1.00 0.00 N ATOM 649 CA GLY A 40 6.866 -11.843 -11.252 1.00 0.00 C ATOM 650 C GLY A 40 7.641 -10.583 -11.618 1.00 0.00 C ATOM 651 O GLY A 40 7.210 -9.469 -11.322 1.00 0.00 O ATOM 0 H GLY A 40 6.042 -12.508 -13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.866 -11.572 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.359 -12.348 -10.421 1.00 0.00 H new ATOM 655 N ALA A 41 8.788 -10.767 -12.262 1.00 0.00 N ATOM 656 CA ALA A 41 9.478 -9.669 -12.929 1.00 0.00 C ATOM 657 C ALA A 41 8.628 -9.085 -14.050 1.00 0.00 C ATOM 658 O ALA A 41 8.625 -7.875 -14.274 1.00 0.00 O ATOM 659 CB ALA A 41 10.820 -10.137 -13.471 1.00 0.00 C ATOM 0 H ALA A 41 9.260 -11.668 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 41 9.651 -8.884 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.322 -9.306 -13.966 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.439 -10.497 -12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.662 -10.944 -14.187 1.00 0.00 H new ATOM 665 N GLU A 42 7.907 -9.953 -14.752 1.00 0.00 N ATOM 666 CA GLU A 42 6.881 -9.514 -15.691 1.00 0.00 C ATOM 667 C GLU A 42 5.870 -8.599 -15.012 1.00 0.00 C ATOM 668 O GLU A 42 5.358 -7.661 -15.624 1.00 0.00 O ATOM 669 CB GLU A 42 6.162 -10.722 -16.299 1.00 0.00 C ATOM 670 CG GLU A 42 7.024 -11.561 -17.231 1.00 0.00 C ATOM 671 CD GLU A 42 6.360 -12.845 -17.643 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.263 -13.092 -17.203 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.951 -13.580 -18.399 1.00 0.00 O1- ATOM 0 H GLU A 42 8.014 -10.965 -14.688 1.00 0.00 H new ATOM 0 HA GLU A 42 7.374 -8.953 -16.485 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.797 -11.357 -15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.289 -10.371 -16.849 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.261 -10.978 -18.121 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.969 -11.788 -16.738 1.00 0.00 H new ATOM 680 N GLU A 43 5.585 -8.876 -13.744 1.00 0.00 N ATOM 681 CA GLU A 43 4.690 -8.037 -12.958 1.00 0.00 C ATOM 682 C GLU A 43 5.403 -6.787 -12.458 1.00 0.00 C ATOM 683 O GLU A 43 4.809 -5.711 -12.379 1.00 0.00 O ATOM 684 CB GLU A 43 4.125 -8.822 -11.772 1.00 0.00 C ATOM 685 CG GLU A 43 3.249 -10.005 -12.162 1.00 0.00 C ATOM 686 CD GLU A 43 1.996 -9.594 -12.883 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.315 -8.721 -12.400 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.719 -10.152 -13.918 1.00 0.00 O1- ATOM 0 H GLU A 43 5.962 -9.677 -13.238 1.00 0.00 H new ATOM 0 HA GLU A 43 3.870 -7.728 -13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.954 -9.184 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.543 -8.144 -11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.822 -10.681 -12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.979 -10.562 -11.265 1.00 0.00 H new ATOM 695 N LYS A 44 6.680 -6.936 -12.122 1.00 0.00 N ATOM 696 CA LYS A 44 7.527 -5.792 -11.804 1.00 0.00 C ATOM 697 C LYS A 44 7.601 -4.820 -12.975 1.00 0.00 C ATOM 698 O LYS A 44 7.662 -3.607 -12.783 1.00 0.00 O ATOM 699 CB LYS A 44 8.931 -6.257 -11.417 1.00 0.00 C ATOM 700 CG LYS A 44 9.011 -6.959 -10.067 1.00 0.00 C ATOM 701 CD LYS A 44 10.434 -7.401 -9.757 1.00 0.00 C ATOM 702 CE LYS A 44 10.511 -8.121 -8.419 1.00 0.00 C ATOM 703 NZ LYS A 44 11.896 -8.571 -8.109 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.152 -7.839 -12.063 1.00 0.00 H new ATOM 0 HA LYS A 44 7.081 -5.271 -10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.302 -6.933 -12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.596 -5.393 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.658 -6.288 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.350 -7.826 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.793 -8.060 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.092 -6.532 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.160 -7.457 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.844 -8.983 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.906 -9.057 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.223 -9.224 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.529 -7.746 -8.071 1.00 0.00 H new ATOM 717 N PHE A 45 7.598 -5.362 -14.189 1.00 0.00 N ATOM 718 CA PHE A 45 7.570 -4.542 -15.394 1.00 0.00 C ATOM 719 C PHE A 45 6.241 -3.811 -15.532 1.00 0.00 C ATOM 720 O PHE A 45 6.198 -2.658 -15.961 1.00 0.00 O ATOM 721 CB PHE A 45 7.816 -5.405 -16.633 1.00 0.00 C ATOM 722 CG PHE A 45 8.059 -4.612 -17.885 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.423 -3.275 -17.816 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.925 -5.200 -19.134 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.647 -2.544 -18.968 1.00 0.00 C ATOM 726 CE2 PHE A 45 8.150 -4.472 -20.285 1.00 0.00 C ATOM 727 CZ PHE A 45 8.511 -3.143 -20.203 1.00 0.00 C ATOM 0 H PHE A 45 7.615 -6.367 -14.364 1.00 0.00 H new ATOM 0 HA PHE A 45 8.364 -3.800 -15.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.675 -6.050 -16.450 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.956 -6.056 -16.788 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.533 -2.800 -16.852 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.641 -6.240 -19.207 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.929 -1.504 -18.901 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.043 -4.943 -21.251 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.687 -2.573 -21.103 1.00 0.00 H new ATOM 737 N LYS A 46 5.158 -4.489 -15.167 1.00 0.00 N ATOM 738 CA LYS A 46 3.852 -3.849 -15.066 1.00 0.00 C ATOM 739 C LYS A 46 3.866 -2.726 -14.036 1.00 0.00 C ATOM 740 O LYS A 46 3.272 -1.670 -14.248 1.00 0.00 O ATOM 741 CB LYS A 46 2.777 -4.878 -14.709 1.00 0.00 C ATOM 742 CG LYS A 46 2.440 -5.851 -15.830 1.00 0.00 C ATOM 743 CD LYS A 46 1.401 -6.868 -15.386 1.00 0.00 C ATOM 744 CE LYS A 46 1.116 -7.885 -16.481 1.00 0.00 C ATOM 745 NZ LYS A 46 0.198 -8.960 -16.018 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.159 -5.483 -14.936 1.00 0.00 H new ATOM 0 HA LYS A 46 3.618 -3.416 -16.038 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.109 -5.445 -13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.869 -4.350 -14.417 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.066 -5.300 -16.693 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.345 -6.368 -16.150 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.753 -7.383 -14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.479 -6.354 -15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.677 -7.379 -17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.053 -8.328 -16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.017 -9.622 -16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.635 -9.472 -15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.700 -8.539 -15.706 1.00 0.00 H new ATOM 759 N GLU A 47 4.548 -2.964 -12.920 1.00 0.00 N ATOM 760 CA GLU A 47 4.732 -1.936 -11.903 1.00 0.00 C ATOM 761 C GLU A 47 5.517 -0.752 -12.450 1.00 0.00 C ATOM 762 O GLU A 47 5.240 0.400 -12.113 1.00 0.00 O ATOM 763 CB GLU A 47 5.449 -2.517 -10.682 1.00 0.00 C ATOM 764 CG GLU A 47 4.618 -3.502 -9.874 1.00 0.00 C ATOM 765 CD GLU A 47 5.409 -4.188 -8.794 1.00 0.00 C ATOM 766 OE1 GLU A 47 6.613 -4.122 -8.834 1.00 0.00 O ATOM 767 OE2 GLU A 47 4.807 -4.781 -7.930 1.00 0.00 O1- ATOM 0 H GLU A 47 4.982 -3.860 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 47 3.745 -1.583 -11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.360 -3.016 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.753 -1.698 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.777 -2.975 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.201 -4.253 -10.545 1.00 0.00 H new ATOM 774 N ILE A 48 6.500 -1.040 -13.297 1.00 0.00 N ATOM 775 CA ILE A 48 7.217 0.002 -14.022 1.00 0.00 C ATOM 776 C ILE A 48 6.306 0.707 -15.017 1.00 0.00 C ATOM 777 O ILE A 48 6.291 1.936 -15.098 1.00 0.00 O ATOM 778 CB ILE A 48 8.433 -0.583 -14.763 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.495 -1.048 -13.764 1.00 0.00 C ATOM 780 CG2 ILE A 48 9.014 0.443 -15.724 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.540 -1.962 -14.364 1.00 0.00 C ATOM 0 H ILE A 48 6.818 -1.988 -13.498 1.00 0.00 H new ATOM 0 HA ILE A 48 7.563 0.729 -13.288 1.00 0.00 H new ATOM 0 HB ILE A 48 8.104 -1.447 -15.341 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.990 -0.174 -13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.003 -1.565 -12.940 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.873 0.013 -16.240 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.257 0.727 -16.455 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.329 1.325 -15.167 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.257 -2.249 -13.595 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.057 -2.855 -14.761 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.060 -1.442 -15.169 1.00 0.00 H new ATOM 793 N ALA A 49 5.545 -0.077 -15.773 1.00 0.00 N ATOM 794 CA ALA A 49 4.531 0.471 -16.667 1.00 0.00 C ATOM 795 C ALA A 49 3.616 1.444 -15.932 1.00 0.00 C ATOM 796 O ALA A 49 3.258 2.494 -16.463 1.00 0.00 O ATOM 797 CB ALA A 49 3.715 -0.651 -17.294 1.00 0.00 C ATOM 0 H ALA A 49 5.611 -1.095 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 49 5.042 1.020 -17.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.963 -0.226 -17.958 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.374 -1.306 -17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.223 -1.226 -16.509 1.00 0.00 H new ATOM 803 N GLU A 50 3.242 1.086 -14.708 1.00 0.00 N ATOM 804 CA GLU A 50 2.469 1.978 -13.853 1.00 0.00 C ATOM 805 C GLU A 50 3.311 3.160 -13.387 1.00 0.00 C ATOM 806 O GLU A 50 2.836 4.295 -13.348 1.00 0.00 O ATOM 807 CB GLU A 50 1.927 1.217 -12.640 1.00 0.00 C ATOM 808 CG GLU A 50 0.957 2.015 -11.780 1.00 0.00 C ATOM 809 CD GLU A 50 -0.380 2.215 -12.438 1.00 0.00 C ATOM 810 OE1 GLU A 50 -0.671 1.510 -13.374 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.111 3.074 -12.004 1.00 0.00 O1- ATOM 0 H GLU A 50 3.462 0.184 -14.286 1.00 0.00 H new ATOM 0 HA GLU A 50 1.633 2.360 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.427 0.313 -12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.766 0.899 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.815 1.501 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.395 2.988 -11.555 1.00 0.00 H new ATOM 818 N ALA A 51 4.562 2.887 -13.034 1.00 0.00 N ATOM 819 CA ALA A 51 5.487 3.935 -12.618 1.00 0.00 C ATOM 820 C ALA A 51 5.620 5.010 -13.690 1.00 0.00 C ATOM 821 O ALA A 51 5.931 6.162 -13.390 1.00 0.00 O ATOM 822 CB ALA A 51 6.850 3.340 -12.294 1.00 0.00 C ATOM 0 H ALA A 51 4.959 1.948 -13.028 1.00 0.00 H new ATOM 0 HA ALA A 51 5.084 4.403 -11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.530 4.134 -11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.748 2.615 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.250 2.844 -13.178 1.00 0.00 H new ATOM 828 N TYR A 52 5.381 4.626 -14.939 1.00 0.00 N ATOM 829 CA TYR A 52 5.458 5.560 -16.056 1.00 0.00 C ATOM 830 C TYR A 52 4.074 6.065 -16.447 1.00 0.00 C ATOM 831 O TYR A 52 3.895 7.245 -16.745 1.00 0.00 O ATOM 832 CB TYR A 52 6.143 4.905 -17.256 1.00 0.00 C ATOM 833 CG TYR A 52 6.559 5.884 -18.332 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.318 6.998 -17.999 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.183 5.669 -19.649 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.698 7.891 -18.981 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.564 6.564 -20.630 1.00 0.00 C ATOM 838 CZ TYR A 52 7.318 7.671 -20.299 1.00 0.00 C ATOM 839 OH TYR A 52 7.697 8.562 -21.278 1.00 0.00 O ATOM 0 H TYR A 52 5.132 3.673 -15.204 1.00 0.00 H new ATOM 0 HA TYR A 52 6.053 6.416 -15.737 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.024 4.365 -16.909 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.468 4.168 -17.690 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.611 7.166 -16.973 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.593 4.802 -19.908 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.289 8.758 -18.725 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.272 6.397 -21.656 1.00 0.00 H new ATOM 0 HH TYR A 52 7.351 8.262 -22.145 1.00 0.00 H new ATOM 849 N ASP A 53 3.098 5.163 -16.445 1.00 0.00 N ATOM 850 CA ASP A 53 1.695 5.552 -16.520 1.00 0.00 C ATOM 851 C ASP A 53 1.463 6.905 -15.859 1.00 0.00 C ATOM 852 O ASP A 53 0.920 7.822 -16.474 1.00 0.00 O ATOM 853 CB ASP A 53 0.810 4.495 -15.857 1.00 0.00 C ATOM 854 CG ASP A 53 -0.678 4.761 -16.050 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.098 4.873 -17.178 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.378 4.849 -15.070 1.00 0.00 O1- ATOM 0 H ASP A 53 3.254 4.156 -16.392 1.00 0.00 H new ATOM 0 HA ASP A 53 1.429 5.632 -17.574 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.055 3.515 -16.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.032 4.459 -14.790 1.00 0.00 H new ATOM 861 N VAL A 54 1.877 7.023 -14.601 1.00 0.00 N ATOM 862 CA VAL A 54 1.765 8.280 -13.873 1.00 0.00 C ATOM 863 C VAL A 54 2.596 9.375 -14.531 1.00 0.00 C ATOM 864 O VAL A 54 2.136 10.505 -14.693 1.00 0.00 O ATOM 865 CB VAL A 54 2.227 8.096 -12.415 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.450 9.448 -11.752 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.198 7.281 -11.645 1.00 0.00 C ATOM 0 H VAL A 54 2.293 6.262 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 54 0.717 8.580 -13.890 1.00 0.00 H new ATOM 0 HB VAL A 54 3.174 7.557 -12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.776 9.299 -10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.215 10.000 -12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.519 10.015 -11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.531 7.155 -10.615 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.240 7.801 -11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.085 6.303 -12.112 1.00 0.00 H new ATOM 877 N LEU A 55 3.823 9.032 -14.909 1.00 0.00 N ATOM 878 CA LEU A 55 4.803 10.028 -15.327 1.00 0.00 C ATOM 879 C LEU A 55 4.712 10.297 -16.824 1.00 0.00 C ATOM 880 O LEU A 55 5.424 11.147 -17.355 1.00 0.00 O ATOM 881 CB LEU A 55 6.219 9.560 -14.969 1.00 0.00 C ATOM 882 CG LEU A 55 6.458 9.230 -13.491 1.00 0.00 C ATOM 883 CD1 LEU A 55 7.901 8.788 -13.295 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.139 10.451 -12.640 1.00 0.00 C ATOM 0 H LEU A 55 4.163 8.071 -14.934 1.00 0.00 H new ATOM 0 HA LEU A 55 4.584 10.956 -14.798 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.450 8.675 -15.562 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.924 10.336 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 55 5.804 8.415 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.070 8.554 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.096 7.903 -13.900 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.572 9.591 -13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.309 10.217 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.783 11.279 -12.936 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.096 10.733 -12.785 1.00 0.00 H new ATOM 896 N SER A 56 3.831 9.565 -17.498 1.00 0.00 N ATOM 897 CA SER A 56 3.581 9.785 -18.918 1.00 0.00 C ATOM 898 C SER A 56 2.170 10.308 -19.154 1.00 0.00 C ATOM 899 O SER A 56 1.889 10.926 -20.181 1.00 0.00 O ATOM 900 CB SER A 56 3.786 8.496 -19.690 1.00 0.00 C ATOM 901 OG SER A 56 2.889 7.507 -19.265 1.00 0.00 O ATOM 0 H SER A 56 3.278 8.814 -17.084 1.00 0.00 H new ATOM 0 HA SER A 56 4.288 10.535 -19.271 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.651 8.681 -20.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.809 8.146 -19.555 1.00 0.00 H new ATOM 0 HG SER A 56 2.995 7.362 -18.302 1.00 0.00 H new ATOM 907 N ASP A 57 1.283 10.059 -18.196 1.00 0.00 N ATOM 908 CA ASP A 57 -0.128 10.385 -18.354 1.00 0.00 C ATOM 909 C ASP A 57 -0.593 11.359 -17.279 1.00 0.00 C ATOM 910 O ASP A 57 -0.603 11.030 -16.092 1.00 0.00 O ATOM 911 CB ASP A 57 -0.982 9.115 -18.303 1.00 0.00 C ATOM 912 CG ASP A 57 -2.436 9.362 -18.686 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.857 10.493 -18.640 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.109 8.417 -19.020 1.00 0.00 O1- ATOM 0 H ASP A 57 1.518 9.631 -17.300 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.249 10.860 -19.327 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.556 8.370 -18.975 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.943 8.697 -17.297 1.00 0.00 H new ATOM 919 N PRO A 58 -0.976 12.559 -17.701 1.00 0.00 N ATOM 920 CA PRO A 58 -1.340 13.619 -16.767 1.00 0.00 C ATOM 921 C PRO A 58 -2.499 13.193 -15.876 1.00 0.00 C ATOM 922 O PRO A 58 -2.730 13.782 -14.819 1.00 0.00 O ATOM 923 CB PRO A 58 -1.735 14.773 -17.694 1.00 0.00 C ATOM 924 CG PRO A 58 -0.930 14.543 -18.928 1.00 0.00 C ATOM 925 CD PRO A 58 -0.919 13.047 -19.094 1.00 0.00 C ATOM 0 HA PRO A 58 -0.537 13.883 -16.078 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.804 14.764 -17.908 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.508 15.740 -17.245 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.377 15.035 -19.792 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.080 14.939 -18.823 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.771 12.699 -19.679 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.020 12.704 -19.606 1.00 0.00 H new ATOM 933 N ARG A 59 -3.225 12.167 -16.307 1.00 0.00 N ATOM 934 CA ARG A 59 -4.454 11.763 -15.634 1.00 0.00 C ATOM 935 C ARG A 59 -4.154 10.988 -14.358 1.00 0.00 C ATOM 936 O ARG A 59 -4.966 10.958 -13.433 1.00 0.00 O ATOM 937 CB ARG A 59 -5.310 10.905 -16.554 1.00 0.00 C ATOM 938 CG ARG A 59 -5.900 11.640 -17.748 1.00 0.00 C ATOM 939 CD ARG A 59 -6.706 10.734 -18.607 1.00 0.00 C ATOM 940 NE ARG A 59 -5.884 9.717 -19.242 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.358 8.732 -20.029 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.648 8.645 -20.269 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.527 7.853 -20.561 1.00 0.00 N ATOM 0 H ARG A 59 -2.983 11.600 -17.120 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.998 12.671 -15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.706 10.075 -16.919 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.125 10.474 -15.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.525 12.461 -17.397 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.096 12.081 -18.338 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.477 10.254 -18.005 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.217 11.318 -19.372 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.878 9.752 -19.080 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.290 9.324 -19.859 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.007 7.899 -20.865 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.526 7.920 -20.376 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.886 7.107 -21.157 1.00 0.00 H new ATOM 957 N LYS A 60 -2.983 10.363 -14.312 1.00 0.00 N ATOM 958 CA LYS A 60 -2.505 9.719 -13.095 1.00 0.00 C ATOM 959 C LYS A 60 -1.344 10.492 -12.482 1.00 0.00 C ATOM 960 O LYS A 60 -0.929 10.218 -11.356 1.00 0.00 O ATOM 961 CB LYS A 60 -2.083 8.276 -13.382 1.00 0.00 C ATOM 962 CG LYS A 60 -3.179 7.410 -13.989 1.00 0.00 C ATOM 963 CD LYS A 60 -3.138 7.453 -15.509 1.00 0.00 C ATOM 964 CE LYS A 60 -4.136 6.479 -16.118 1.00 0.00 C ATOM 965 NZ LYS A 60 -3.742 6.065 -17.492 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.346 10.289 -15.105 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.326 9.712 -12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.229 8.288 -14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.747 7.817 -12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.063 6.381 -13.649 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.153 7.753 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.358 8.464 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.133 7.211 -15.855 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.216 5.597 -15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.123 6.942 -16.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.497 5.484 -17.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.591 6.910 -18.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.862 5.512 -17.449 1.00 0.00 H new ATOM 979 N ARG A 61 -0.823 11.459 -13.230 1.00 0.00 N ATOM 980 CA ARG A 61 0.205 12.356 -12.716 1.00 0.00 C ATOM 981 C ARG A 61 -0.353 13.269 -11.633 1.00 0.00 C ATOM 982 O ARG A 61 0.222 13.390 -10.551 1.00 0.00 O ATOM 983 CB ARG A 61 0.787 13.201 -13.838 1.00 0.00 C ATOM 984 CG ARG A 61 1.957 14.084 -13.433 1.00 0.00 C ATOM 985 CD ARG A 61 3.165 13.281 -13.113 1.00 0.00 C ATOM 986 NE ARG A 61 4.276 14.119 -12.691 1.00 0.00 N ATOM 987 CZ ARG A 61 5.262 14.550 -13.504 1.00 0.00 C ATOM 988 NH1 ARG A 61 5.259 14.213 -14.775 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 6.230 15.309 -13.023 1.00 0.00 N ATOM 0 H ARG A 61 -1.096 11.641 -14.196 1.00 0.00 H new ATOM 0 HA ARG A 61 0.992 11.739 -12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.111 12.539 -14.641 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.003 13.833 -14.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.185 14.779 -14.241 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.678 14.683 -12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.928 12.567 -12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.459 12.702 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 61 4.312 14.401 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.511 13.626 -15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.004 14.538 -15.391 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.232 15.569 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.976 15.635 -13.638 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.477 13.913 -11.929 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.177 14.727 -10.944 1.00 0.00 C ATOM 1005 C GLU A 62 -2.513 13.919 -9.698 1.00 0.00 C ATOM 1006 O GLU A 62 -2.408 14.414 -8.576 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.457 15.312 -11.546 1.00 0.00 C ATOM 1008 CG GLU A 62 -3.223 16.372 -12.613 1.00 0.00 C ATOM 1009 CD GLU A 62 -2.633 17.639 -12.058 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -3.183 18.169 -11.124 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -1.630 18.078 -12.571 1.00 0.00 O1- ATOM 0 H GLU A 62 -1.923 13.886 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.513 15.542 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.044 14.502 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.055 15.746 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.557 15.971 -13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.169 16.602 -13.104 1.00 0.00 H new ATOM 1018 N ILE A 63 -2.919 12.670 -9.901 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.373 11.823 -8.805 1.00 0.00 C ATOM 1020 C ILE A 63 -2.209 11.402 -7.917 1.00 0.00 C ATOM 1021 O ILE A 63 -2.098 11.843 -6.773 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.091 10.570 -9.339 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.404 10.959 -10.023 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.347 9.583 -8.211 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.060 9.823 -10.776 1.00 0.00 C ATOM 0 H ILE A 63 -2.943 12.221 -10.817 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.074 12.409 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.448 10.089 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.098 11.332 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.213 11.779 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.855 8.703 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.398 9.285 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.972 10.053 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.985 10.176 -11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.385 9.464 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.284 9.010 -10.085 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.344 10.547 -8.450 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.133 10.141 -7.745 1.00 0.00 C ATOM 1039 C PHE A 64 0.492 11.316 -7.004 1.00 0.00 C ATOM 1040 O PHE A 64 0.709 11.255 -5.794 1.00 0.00 O ATOM 1041 CB PHE A 64 0.882 9.549 -8.724 1.00 0.00 C ATOM 1042 CG PHE A 64 2.146 9.070 -8.069 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.341 7.721 -7.809 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.142 9.965 -7.711 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.505 7.279 -7.207 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.306 9.526 -7.110 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.486 8.181 -6.857 1.00 0.00 C ATOM 0 H PHE A 64 -1.459 10.121 -9.369 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.413 9.381 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.419 8.716 -9.253 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.133 10.301 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.576 7.009 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.006 11.019 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.645 6.226 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.074 10.235 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.394 7.836 -6.385 1.00 0.00 H new ATOM 1057 N ASP A 65 0.781 12.385 -7.739 1.00 0.00 N ATOM 1058 CA ASP A 65 1.512 13.519 -7.187 1.00 0.00 C ATOM 1059 C ASP A 65 0.769 14.133 -6.008 1.00 0.00 C ATOM 1060 O ASP A 65 1.367 14.444 -4.978 1.00 0.00 O ATOM 1061 CB ASP A 65 1.745 14.584 -8.262 1.00 0.00 C ATOM 1062 CG ASP A 65 2.829 14.192 -9.259 1.00 0.00 C ATOM 1063 OD1 ASP A 65 3.499 13.214 -9.025 1.00 0.00 O ATOM 1064 OD2 ASP A 65 2.976 14.876 -10.244 1.00 0.00 O1- ATOM 0 H ASP A 65 0.520 12.489 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 65 2.475 13.150 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.813 14.762 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.022 15.523 -7.782 1.00 0.00 H new ATOM 1069 N ARG A 66 -0.539 14.306 -6.167 1.00 0.00 N ATOM 1070 CA ARG A 66 -1.343 15.015 -5.178 1.00 0.00 C ATOM 1071 C ARG A 66 -1.750 14.093 -4.035 1.00 0.00 C ATOM 1072 O ARG A 66 -2.038 14.550 -2.929 1.00 0.00 O ATOM 1073 CB ARG A 66 -2.591 15.602 -5.822 1.00 0.00 C ATOM 1074 CG ARG A 66 -2.335 16.757 -6.776 1.00 0.00 C ATOM 1075 CD ARG A 66 -3.596 17.257 -7.384 1.00 0.00 C ATOM 1076 NE ARG A 66 -3.342 18.237 -8.428 1.00 0.00 N ATOM 1077 CZ ARG A 66 -3.132 19.550 -8.210 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -3.147 20.023 -6.984 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -2.911 20.361 -9.230 1.00 0.00 N ATOM 0 H ARG A 66 -1.065 13.965 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.730 15.822 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.109 14.811 -6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.263 15.942 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.842 17.569 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.654 16.435 -7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.156 16.419 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.220 17.704 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.321 17.907 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.318 19.396 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.988 21.017 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.900 19.993 -10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.752 21.355 -9.066 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.773 12.794 -4.310 1.00 0.00 N ATOM 1094 CA TYR A 67 -2.240 11.813 -3.337 1.00 0.00 C ATOM 1095 C TYR A 67 -1.194 10.731 -3.100 1.00 0.00 C ATOM 1096 O TYR A 67 -0.644 10.616 -2.005 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.557 11.186 -3.800 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.675 12.187 -3.993 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -5.074 12.543 -5.273 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -5.301 12.748 -2.889 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -6.096 13.456 -5.447 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -6.321 13.662 -3.065 1.00 0.00 C ATOM 1103 CZ TYR A 67 -6.719 14.016 -4.338 1.00 0.00 C ATOM 1104 OH TYR A 67 -7.736 14.926 -4.513 1.00 0.00 O ATOM 0 H TYR A 67 -1.473 12.395 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.409 12.331 -2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.387 10.659 -4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.871 10.441 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.586 12.107 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.991 12.470 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.410 13.734 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.807 14.100 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.065 15.221 -3.638 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.925 9.940 -4.133 1.00 0.00 N ATOM 1115 CA GLY A 68 0.104 8.908 -4.060 1.00 0.00 C ATOM 1116 C GLY A 68 -0.397 7.589 -4.635 1.00 0.00 C ATOM 1117 O GLY A 68 -1.258 7.572 -5.513 1.00 0.00 O ATOM 0 H GLY A 68 -1.405 9.993 -5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.989 9.234 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.406 8.764 -3.023 1.00 0.00 H new ATOM 1121 N GLU A 69 0.148 6.487 -4.133 1.00 0.00 N ATOM 1122 CA GLU A 69 -0.198 5.164 -4.637 1.00 0.00 C ATOM 1123 C GLU A 69 -1.582 4.737 -4.161 1.00 0.00 C ATOM 1124 O GLU A 69 -2.371 4.187 -4.929 1.00 0.00 O ATOM 1125 CB GLU A 69 0.843 4.134 -4.195 1.00 0.00 C ATOM 1126 CG GLU A 69 2.236 4.363 -4.766 1.00 0.00 C ATOM 1127 CD GLU A 69 3.013 5.405 -4.012 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.499 5.920 -3.047 1.00 0.00 O ATOM 1129 OE2 GLU A 69 4.123 5.687 -4.400 1.00 0.00 O1- ATOM 0 H GLU A 69 0.832 6.484 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.210 5.216 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.904 4.141 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.502 3.141 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.788 3.423 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.150 4.665 -5.810 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.869 4.994 -2.889 1.00 0.00 N ATOM 1137 CA GLU A 70 -3.097 4.513 -2.269 1.00 0.00 C ATOM 1138 C GLU A 70 -4.326 5.092 -2.957 1.00 0.00 C ATOM 1139 O GLU A 70 -5.360 4.432 -3.064 1.00 0.00 O ATOM 1140 CB GLU A 70 -3.118 4.869 -0.780 1.00 0.00 C ATOM 1141 CG GLU A 70 -2.120 4.091 0.066 1.00 0.00 C ATOM 1142 CD GLU A 70 -2.073 4.559 1.494 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -2.611 5.604 1.774 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -1.500 3.872 2.306 1.00 0.00 O1- ATOM 0 H GLU A 70 -1.267 5.533 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.122 3.429 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.916 5.935 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.121 4.693 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.380 3.033 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.127 4.184 -0.374 1.00 0.00 H new ATOM 1151 N GLY A 71 -4.208 6.332 -3.422 1.00 0.00 N ATOM 1152 CA GLY A 71 -5.327 7.025 -4.048 1.00 0.00 C ATOM 1153 C GLY A 71 -5.445 6.660 -5.523 1.00 0.00 C ATOM 1154 O GLY A 71 -6.439 6.982 -6.174 1.00 0.00 O ATOM 0 H GLY A 71 -3.347 6.877 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.252 6.768 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.194 8.102 -3.947 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.428 5.983 -6.044 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.421 5.560 -7.438 1.00 0.00 C ATOM 1160 C LEU A 72 -4.847 4.104 -7.575 1.00 0.00 C ATOM 1161 O LEU A 72 -5.486 3.723 -8.555 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.025 5.751 -8.044 1.00 0.00 C ATOM 1163 CG LEU A 72 -2.852 5.254 -9.486 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -3.898 5.910 -10.378 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -1.445 5.574 -9.968 1.00 0.00 C ATOM 0 H LEU A 72 -3.595 5.715 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.137 6.179 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.777 6.812 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.301 5.236 -7.412 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.992 4.174 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.776 5.557 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.895 5.650 -10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.773 6.992 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.322 5.221 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.285 6.652 -9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.718 5.079 -9.324 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.490 3.294 -6.584 1.00 0.00 N ATOM 1178 CA LYS A 73 -4.942 1.909 -6.526 1.00 0.00 C ATOM 1179 C LYS A 73 -6.369 1.818 -5.999 1.00 0.00 C ATOM 1180 O LYS A 73 -7.169 1.016 -6.481 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.004 1.075 -5.652 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.366 -0.402 -5.573 1.00 0.00 C ATOM 1183 CD LYS A 73 -3.362 -1.172 -4.728 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.749 -2.639 -4.607 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.813 -3.391 -3.728 1.00 0.00 N1+ ATOM 0 H LYS A 73 -3.888 3.573 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.927 1.510 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.989 1.168 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.001 1.490 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.363 -0.512 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.400 -0.825 -6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.371 -1.091 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.302 -0.727 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.761 -2.716 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.761 -3.094 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.112 -4.385 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.851 -3.340 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.820 -2.974 -2.775 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.681 2.643 -5.006 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.960 2.556 -4.311 1.00 0.00 C ATOM 1201 C GLY A 74 -7.862 1.649 -3.090 1.00 0.00 C ATOM 1202 O GLY A 74 -8.712 0.787 -2.875 1.00 0.00 O ATOM 0 H GLY A 74 -6.065 3.381 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.278 3.552 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.721 2.174 -4.991 1.00 0.00 H new ATOM 1371 N SER A 91 -6.188 -3.769 -8.385 1.00 0.00 N ATOM 1372 CA SER A 91 -4.761 -3.537 -8.568 1.00 0.00 C ATOM 1373 C SER A 91 -4.506 -2.257 -9.353 1.00 0.00 C ATOM 1374 O SER A 91 -5.397 -1.748 -10.035 1.00 0.00 O ATOM 1375 CB SER A 91 -4.128 -4.714 -9.286 1.00 0.00 C ATOM 1376 OG SER A 91 -4.565 -4.784 -10.616 1.00 0.00 O ATOM 0 HA SER A 91 -4.310 -3.429 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.042 -4.619 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.380 -5.639 -8.767 1.00 0.00 H new ATOM 0 HG SER A 91 -5.520 -4.569 -10.658 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.287 -1.740 -9.253 1.00 0.00 N ATOM 1383 CA TYR A 92 -2.860 -0.619 -10.082 1.00 0.00 C ATOM 1384 C TYR A 92 -3.273 -0.820 -11.535 1.00 0.00 C ATOM 1385 O TYR A 92 -3.274 -1.943 -12.040 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.345 -0.427 -9.983 1.00 0.00 C ATOM 1387 CG TYR A 92 -0.860 -0.112 -8.586 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.325 -1.119 -7.794 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -0.949 1.181 -8.095 1.00 0.00 C ATOM 1390 CE1 TYR A 92 0.118 -0.832 -6.518 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.506 1.468 -6.818 1.00 0.00 C ATOM 1392 CZ TYR A 92 0.026 0.468 -6.032 1.00 0.00 C ATOM 1393 OH TYR A 92 0.467 0.753 -4.760 1.00 0.00 O ATOM 0 H TYR A 92 -2.576 -2.080 -8.605 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.354 0.279 -9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.850 -1.332 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.046 0.380 -10.652 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.255 -2.127 -8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.365 1.965 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.534 -1.614 -5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.576 2.476 -6.436 1.00 0.00 H new ATOM 0 HH TYR A 92 1.199 0.146 -4.524 1.00 0.00 H new ATOM 1403 N THR A 93 -3.623 0.274 -12.202 1.00 0.00 N ATOM 1404 CA THR A 93 -4.224 0.204 -13.529 1.00 0.00 C ATOM 1405 C THR A 93 -3.204 -0.228 -14.574 1.00 0.00 C ATOM 1406 O THR A 93 -2.730 0.587 -15.366 1.00 0.00 O ATOM 1407 CB THR A 93 -4.837 1.556 -13.932 1.00 0.00 C ATOM 1408 OG1 THR A 93 -5.519 1.421 -15.186 1.00 0.00 O ATOM 1409 CG2 THR A 93 -3.754 2.617 -14.061 1.00 0.00 C ATOM 0 H THR A 93 -3.501 1.222 -11.845 1.00 0.00 H new ATOM 0 HA THR A 93 -5.017 -0.542 -13.485 1.00 0.00 H new ATOM 0 HB THR A 93 -5.541 1.862 -13.158 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.910 2.283 -15.440 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.207 3.566 -14.347 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.242 2.732 -13.106 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.036 2.314 -14.823 1.00 0.00 H new ATOM 1486 N HIS A 99 4.033 0.249 -22.533 1.00 0.00 N ATOM 1487 CA HIS A 99 4.998 -0.527 -23.303 1.00 0.00 C ATOM 1488 C HIS A 99 4.727 -0.413 -24.798 1.00 0.00 C ATOM 1489 O HIS A 99 5.601 -0.694 -25.619 1.00 0.00 O ATOM 1490 CB HIS A 99 4.965 -2.000 -22.883 1.00 0.00 C ATOM 1491 CG HIS A 99 5.990 -2.845 -23.575 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.346 -2.665 -23.396 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.858 -3.874 -24.445 1.00 0.00 C ATOM 1494 CE1 HIS A 99 8.004 -3.549 -24.127 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.124 -4.292 -24.772 1.00 0.00 N ATOM 0 HA HIS A 99 5.988 -0.120 -23.097 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.120 -2.065 -21.806 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.974 -2.405 -23.088 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.931 -4.288 -24.813 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.078 -3.646 -24.186 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.349 -5.055 -25.411 1.00 0.00 H new ATOM 1502 N ALA A 100 3.513 0.000 -25.145 1.00 0.00 N ATOM 1503 CA ALA A 100 3.192 0.361 -26.521 1.00 0.00 C ATOM 1504 C ALA A 100 3.680 1.766 -26.851 1.00 0.00 C ATOM 1505 O ALA A 100 4.215 2.009 -27.932 1.00 0.00 O ATOM 1506 CB ALA A 100 1.693 0.252 -26.760 1.00 0.00 C ATOM 0 H ALA A 100 2.735 0.093 -24.492 1.00 0.00 H new ATOM 0 HA ALA A 100 3.707 -0.337 -27.181 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.468 0.524 -27.791 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.369 -0.772 -26.576 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.167 0.926 -26.084 1.00 0.00 H new ATOM 1512 N MET A 101 3.491 2.688 -25.912 1.00 0.00 N ATOM 1513 CA MET A 101 4.126 3.999 -25.988 1.00 0.00 C ATOM 1514 C MET A 101 5.644 3.875 -26.023 1.00 0.00 C ATOM 1515 O MET A 101 6.317 4.592 -26.763 1.00 0.00 O ATOM 1516 CB MET A 101 3.688 4.865 -24.809 1.00 0.00 C ATOM 1517 CG MET A 101 2.225 5.285 -24.844 1.00 0.00 C ATOM 1518 SD MET A 101 1.656 5.954 -23.269 1.00 0.00 S ATOM 1519 CE MET A 101 2.672 7.421 -23.137 1.00 0.00 C ATOM 0 H MET A 101 2.903 2.551 -25.090 1.00 0.00 H new ATOM 0 HA MET A 101 3.809 4.477 -26.915 1.00 0.00 H new ATOM 0 HB2 MET A 101 3.874 4.319 -23.884 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.309 5.760 -24.781 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.084 6.033 -25.624 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.611 4.426 -25.112 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.181 8.146 -22.488 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.642 7.155 -22.716 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.813 7.856 -24.126 1.00 0.00 H new ATOM 1529 N PHE A 102 6.177 2.962 -25.218 1.00 0.00 N ATOM 1530 CA PHE A 102 7.606 2.676 -25.224 1.00 0.00 C ATOM 1531 C PHE A 102 8.052 2.125 -26.573 1.00 0.00 C ATOM 1532 O PHE A 102 9.053 2.568 -27.135 1.00 0.00 O ATOM 1533 CB PHE A 102 7.956 1.679 -24.120 1.00 0.00 C ATOM 1534 CG PHE A 102 9.405 1.282 -24.098 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.384 2.193 -23.728 1.00 0.00 C ATOM 1536 CD2 PHE A 102 9.793 -0.003 -24.448 1.00 0.00 C ATOM 1537 CE1 PHE A 102 11.717 1.829 -23.709 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.125 -0.370 -24.429 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.087 0.548 -24.058 1.00 0.00 C ATOM 0 H PHE A 102 5.639 2.407 -24.552 1.00 0.00 H new ATOM 0 HA PHE A 102 8.132 3.613 -25.042 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.693 2.113 -23.155 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.346 0.784 -24.244 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.101 3.198 -23.452 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.045 -0.725 -24.739 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.469 2.548 -23.421 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.413 -1.374 -24.704 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.128 0.263 -24.041 1.00 0.00 H new ATOM 1549 N ALA A 103 7.302 1.157 -27.087 1.00 0.00 N ATOM 1550 CA ALA A 103 7.552 0.618 -28.419 1.00 0.00 C ATOM 1551 C ALA A 103 7.570 1.726 -29.466 1.00 0.00 C ATOM 1552 O ALA A 103 8.316 1.657 -30.443 1.00 0.00 O ATOM 1553 CB ALA A 103 6.506 -0.427 -28.775 1.00 0.00 C ATOM 0 H ALA A 103 6.514 0.729 -26.601 1.00 0.00 H new ATOM 0 HA ALA A 103 8.534 0.144 -28.410 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.708 -0.819 -29.772 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.544 -1.241 -28.051 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.516 0.029 -28.758 1.00 0.00 H new ATOM 1559 N GLU A 104 6.745 2.745 -29.254 1.00 0.00 N ATOM 1560 CA GLU A 104 6.711 3.900 -30.144 1.00 0.00 C ATOM 1561 C GLU A 104 7.905 4.816 -29.903 1.00 0.00 C ATOM 1562 O GLU A 104 8.523 5.308 -30.847 1.00 0.00 O ATOM 1563 CB GLU A 104 5.410 4.682 -29.955 1.00 0.00 C ATOM 1564 CG GLU A 104 5.270 5.899 -30.858 1.00 0.00 C ATOM 1565 CD GLU A 104 5.187 5.539 -32.316 1.00 0.00 C ATOM 1566 OE1 GLU A 104 4.843 4.421 -32.614 1.00 0.00 O ATOM 1567 OE2 GLU A 104 5.469 6.384 -33.132 1.00 0.00 O1- ATOM 0 H GLU A 104 6.090 2.795 -28.473 1.00 0.00 H new ATOM 0 HA GLU A 104 6.761 3.532 -31.169 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.569 4.013 -30.135 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.343 5.006 -28.916 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.376 6.455 -30.575 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.121 6.562 -30.700 1.00 0.00 H new ATOM 1574 N PHE A 105 8.224 5.043 -28.634 1.00 0.00 N ATOM 1575 CA PHE A 105 9.269 5.989 -28.263 1.00 0.00 C ATOM 1576 C PHE A 105 10.649 5.455 -28.622 1.00 0.00 C ATOM 1577 O PHE A 105 11.411 6.108 -29.335 1.00 0.00 O ATOM 1578 CB PHE A 105 9.208 6.291 -26.764 1.00 0.00 C ATOM 1579 CG PHE A 105 7.971 7.032 -26.344 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.233 7.757 -27.268 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.543 7.006 -25.025 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.093 8.439 -26.882 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.404 7.686 -24.638 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.679 8.403 -25.568 1.00 0.00 C ATOM 0 H PHE A 105 7.773 4.583 -27.843 1.00 0.00 H new ATOM 0 HA PHE A 105 9.098 6.908 -28.823 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.263 5.353 -26.212 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.084 6.877 -26.485 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.552 7.789 -28.299 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.106 6.448 -24.292 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.527 9.000 -27.611 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.081 7.656 -23.608 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.789 8.935 -25.267 1.00 0.00 H new ATOM 1594 N PHE A 106 10.965 4.263 -28.127 1.00 0.00 N ATOM 1595 CA PHE A 106 12.308 3.713 -28.253 1.00 0.00 C ATOM 1596 C PHE A 106 12.300 2.415 -29.049 1.00 0.00 C ATOM 1597 O PHE A 106 13.246 2.116 -29.779 1.00 0.00 O ATOM 1598 CB PHE A 106 12.916 3.466 -26.871 1.00 0.00 C ATOM 1599 CG PHE A 106 13.091 4.713 -26.053 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.161 5.059 -25.083 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.183 5.544 -26.252 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.321 6.208 -24.330 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.346 6.691 -25.501 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.413 7.023 -24.539 1.00 0.00 C ATOM 0 H PHE A 106 10.307 3.659 -27.634 1.00 0.00 H new ATOM 0 HA PHE A 106 12.915 4.443 -28.789 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.280 2.770 -26.324 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.886 2.983 -26.992 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.303 4.425 -24.914 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.915 5.291 -27.004 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.590 6.467 -23.578 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.202 7.328 -25.666 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.539 7.920 -23.951 1.00 0.00 H new ATOM 1614 N GLY A 107 11.225 1.645 -28.905 1.00 0.00 N ATOM 1615 CA GLY A 107 11.118 0.350 -29.564 1.00 0.00 C ATOM 1616 C GLY A 107 12.001 -0.689 -28.886 1.00 0.00 C ATOM 1617 O GLY A 107 12.337 -1.714 -29.480 1.00 0.00 O ATOM 0 H GLY A 107 10.416 1.897 -28.337 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.081 0.016 -29.548 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.405 0.447 -30.611 1.00 0.00 H new ATOM 1621 N GLY A 108 12.376 -0.418 -27.641 1.00 0.00 N ATOM 1622 CA GLY A 108 13.351 -1.243 -26.936 1.00 0.00 C ATOM 1623 C GLY A 108 14.765 -0.966 -27.428 1.00 0.00 C ATOM 1624 O GLY A 108 15.449 -1.864 -27.918 1.00 0.00 O ATOM 0 H GLY A 108 12.019 0.368 -27.098 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.291 -1.047 -25.865 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.112 -2.297 -27.081 1.00 0.00 H new