USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.039) USER MOD Single : A 6 SER OG : rot 92:sc= 1.28 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -159:sc= -0.189 (180deg=-0.692) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -2:sc= 0.326 USER MOD Single : A 14 THR OG1 : rot 151:sc= -0.503 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 70:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.326 K(o=-0.33,f=-0.96) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.057) USER MOD Single : A 31 THR OG1 : rot -28:sc= -0.864! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 49 MET CE :methyl 163:sc= -0.079 (180deg=-0.545) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.0059 (180deg=-0.0964) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.204 (180deg=-0.794) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.795 (180deg=0.702) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc=-0.00984 (180deg=-0.163) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -52.864 -11.891 -5.390 1.00 20.00 N ATOM 2 CA MET A -7 -53.859 -10.936 -4.856 1.00 20.00 C ATOM 3 C MET A -7 -54.094 -9.806 -5.849 1.00 20.00 C ATOM 4 O MET A -7 -53.188 -9.024 -6.140 1.00 20.00 O ATOM 5 CB MET A -7 -53.378 -10.364 -3.517 1.00 20.00 C ATOM 6 CG MET A -7 -54.400 -9.467 -2.837 1.00 20.00 C ATOM 7 SD MET A -7 -53.836 -8.838 -1.243 1.00 20.00 S ATOM 8 CE MET A -7 -53.623 -10.363 -0.325 1.00 20.00 C ATOM 0 H1 MET A -7 -52.714 -12.656 -4.702 1.00 20.00 H new ATOM 0 H2 MET A -7 -53.213 -12.292 -6.284 1.00 20.00 H new ATOM 0 H3 MET A -7 -51.965 -11.397 -5.560 1.00 20.00 H new ATOM 0 HA MET A -7 -54.798 -11.466 -4.698 1.00 20.00 H new ATOM 0 HB2 MET A -7 -53.128 -11.188 -2.848 1.00 20.00 H new ATOM 0 HB3 MET A -7 -52.462 -9.797 -3.682 1.00 20.00 H new ATOM 0 HG2 MET A -7 -54.631 -8.627 -3.492 1.00 20.00 H new ATOM 0 HG3 MET A -7 -55.326 -10.024 -2.695 1.00 20.00 H new ATOM 0 HE1 MET A -7 -53.646 -10.150 0.744 1.00 20.00 H new ATOM 0 HE2 MET A -7 -54.428 -11.054 -0.575 1.00 20.00 H new ATOM 0 HE3 MET A -7 -52.665 -10.813 -0.585 1.00 20.00 H new ATOM 20 N ASP A -6 -55.312 -9.720 -6.369 1.00 20.00 N ATOM 21 CA ASP A -6 -55.649 -8.707 -7.363 1.00 20.00 C ATOM 22 C ASP A -6 -56.017 -7.388 -6.684 1.00 20.00 C ATOM 23 O ASP A -6 -57.165 -6.941 -6.727 1.00 20.00 O ATOM 24 CB ASP A -6 -56.797 -9.194 -8.254 1.00 20.00 C ATOM 25 CG ASP A -6 -57.016 -8.308 -9.466 1.00 20.00 C ATOM 26 OD1 ASP A -6 -56.282 -8.471 -10.459 1.00 20.00 O ATOM 27 OD2 ASP A -6 -57.939 -7.465 -9.444 1.00 20.00 O ATOM 0 H ASP A -6 -56.083 -10.339 -6.119 1.00 20.00 H new ATOM 0 HA ASP A -6 -54.774 -8.535 -7.990 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -56.587 -10.211 -8.586 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -57.715 -9.233 -7.667 1.00 20.00 H new ATOM 32 N TYR A -5 -55.029 -6.781 -6.042 1.00 20.00 N ATOM 33 CA TYR A -5 -55.203 -5.501 -5.365 1.00 20.00 C ATOM 34 C TYR A -5 -53.902 -4.711 -5.407 1.00 20.00 C ATOM 35 O TYR A -5 -52.945 -5.042 -4.705 1.00 20.00 O ATOM 36 CB TYR A -5 -55.638 -5.691 -3.901 1.00 20.00 C ATOM 37 CG TYR A -5 -57.064 -6.173 -3.732 1.00 20.00 C ATOM 38 CD1 TYR A -5 -58.135 -5.384 -4.131 1.00 20.00 C ATOM 39 CD2 TYR A -5 -57.339 -7.421 -3.186 1.00 20.00 C ATOM 40 CE1 TYR A -5 -59.436 -5.822 -3.989 1.00 20.00 C ATOM 41 CE2 TYR A -5 -58.638 -7.865 -3.043 1.00 20.00 C ATOM 42 CZ TYR A -5 -59.682 -7.062 -3.447 1.00 20.00 C ATOM 43 OH TYR A -5 -60.977 -7.503 -3.313 1.00 20.00 O ATOM 0 H TYR A -5 -54.085 -7.160 -5.975 1.00 20.00 H new ATOM 0 HA TYR A -5 -55.988 -4.953 -5.887 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -54.967 -6.405 -3.425 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -55.522 -4.744 -3.374 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -57.946 -4.411 -4.560 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -56.523 -8.054 -2.869 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -60.257 -5.194 -4.302 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -58.835 -8.837 -2.616 1.00 20.00 H new ATOM 0 HH TYR A -5 -60.978 -8.398 -2.914 1.00 20.00 H new ATOM 53 N LYS A -4 -53.860 -3.684 -6.243 1.00 20.00 N ATOM 54 CA LYS A -4 -52.694 -2.815 -6.316 1.00 20.00 C ATOM 55 C LYS A -4 -52.949 -1.543 -5.519 1.00 20.00 C ATOM 56 O LYS A -4 -52.037 -0.749 -5.282 1.00 20.00 O ATOM 57 CB LYS A -4 -52.358 -2.461 -7.770 1.00 20.00 C ATOM 58 CG LYS A -4 -53.419 -1.605 -8.455 1.00 20.00 C ATOM 59 CD LYS A -4 -52.990 -1.177 -9.852 1.00 20.00 C ATOM 60 CE LYS A -4 -52.859 -2.368 -10.787 1.00 20.00 C ATOM 61 NZ LYS A -4 -52.499 -1.954 -12.166 1.00 20.00 N ATOM 0 H LYS A -4 -54.617 -3.432 -6.879 1.00 20.00 H new ATOM 0 HA LYS A -4 -51.843 -3.348 -5.891 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -51.406 -1.932 -7.795 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -52.225 -3.382 -8.337 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -54.352 -2.165 -8.518 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -53.618 -0.721 -7.850 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -53.718 -0.474 -10.257 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -52.037 -0.652 -9.795 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -52.100 -3.049 -10.403 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -53.800 -2.918 -10.807 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -52.420 -2.796 -12.772 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -53.236 -1.325 -12.543 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -51.589 -1.451 -12.151 1.00 20.00 H new ATOM 75 N ASP A -3 -54.212 -1.367 -5.120 1.00 20.00 N ATOM 76 CA ASP A -3 -54.657 -0.192 -4.370 1.00 20.00 C ATOM 77 C ASP A -3 -54.507 1.076 -5.198 1.00 20.00 C ATOM 78 O ASP A -3 -54.092 1.033 -6.359 1.00 20.00 O ATOM 79 CB ASP A -3 -53.886 -0.034 -3.053 1.00 20.00 C ATOM 80 CG ASP A -3 -54.181 -1.131 -2.054 1.00 20.00 C ATOM 81 OD1 ASP A -3 -55.268 -1.104 -1.434 1.00 20.00 O ATOM 82 OD2 ASP A -3 -53.318 -2.010 -1.860 1.00 20.00 O ATOM 0 H ASP A -3 -54.956 -2.039 -5.309 1.00 20.00 H new ATOM 0 HA ASP A -3 -55.711 -0.347 -4.139 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -52.817 -0.022 -3.265 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -54.133 0.930 -2.608 1.00 20.00 H new ATOM 87 N ASP A -2 -54.875 2.199 -4.612 1.00 20.00 N ATOM 88 CA ASP A -2 -54.627 3.492 -5.229 1.00 20.00 C ATOM 89 C ASP A -2 -53.360 4.082 -4.635 1.00 20.00 C ATOM 90 O ASP A -2 -52.570 4.712 -5.334 1.00 20.00 O ATOM 91 CB ASP A -2 -55.806 4.436 -5.001 1.00 20.00 C ATOM 92 CG ASP A -2 -55.725 5.683 -5.859 1.00 20.00 C ATOM 93 OD1 ASP A -2 -56.239 5.660 -6.997 1.00 20.00 O ATOM 94 OD2 ASP A -2 -55.164 6.697 -5.394 1.00 20.00 O ATOM 0 H ASP A -2 -55.347 2.244 -3.709 1.00 20.00 H new ATOM 0 HA ASP A -2 -54.506 3.361 -6.304 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -56.736 3.910 -5.217 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -55.839 4.723 -3.950 1.00 20.00 H new ATOM 99 N ASP A -1 -53.184 3.847 -3.337 1.00 20.00 N ATOM 100 CA ASP A -1 -51.965 4.211 -2.609 1.00 20.00 C ATOM 101 C ASP A -1 -51.638 5.696 -2.742 1.00 20.00 C ATOM 102 O ASP A -1 -50.945 6.126 -3.670 1.00 20.00 O ATOM 103 CB ASP A -1 -50.774 3.366 -3.068 1.00 20.00 C ATOM 104 CG ASP A -1 -49.549 3.610 -2.213 1.00 20.00 C ATOM 105 OD1 ASP A -1 -49.536 3.156 -1.047 1.00 20.00 O ATOM 106 OD2 ASP A -1 -48.603 4.264 -2.694 1.00 20.00 O ATOM 0 H ASP A -1 -53.888 3.395 -2.753 1.00 20.00 H new ATOM 0 HA ASP A -1 -52.156 4.005 -1.556 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -51.041 2.310 -3.028 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -50.543 3.597 -4.108 1.00 20.00 H new ATOM 111 N ASP A 0 -52.131 6.467 -1.789 1.00 20.00 N ATOM 112 CA ASP A 0 -51.930 7.911 -1.770 1.00 20.00 C ATOM 113 C ASP A 0 -50.584 8.261 -1.134 1.00 20.00 C ATOM 114 O ASP A 0 -50.173 9.420 -1.106 1.00 20.00 O ATOM 115 CB ASP A 0 -53.082 8.575 -1.005 1.00 20.00 C ATOM 116 CG ASP A 0 -52.951 10.082 -0.911 1.00 20.00 C ATOM 117 OD1 ASP A 0 -52.975 10.758 -1.964 1.00 20.00 O ATOM 118 OD2 ASP A 0 -52.828 10.598 0.220 1.00 20.00 O ATOM 0 H ASP A 0 -52.681 6.114 -1.006 1.00 20.00 H new ATOM 0 HA ASP A 0 -51.920 8.284 -2.794 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -54.024 8.329 -1.496 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -53.129 8.158 0.001 1.00 20.00 H new ATOM 123 N LYS A 1 -49.891 7.241 -0.641 1.00 20.00 N ATOM 124 CA LYS A 1 -48.594 7.438 0.000 1.00 20.00 C ATOM 125 C LYS A 1 -47.489 7.543 -1.044 1.00 20.00 C ATOM 126 O LYS A 1 -46.383 8.010 -0.756 1.00 20.00 O ATOM 127 CB LYS A 1 -48.267 6.298 0.976 1.00 20.00 C ATOM 128 CG LYS A 1 -49.177 6.216 2.199 1.00 20.00 C ATOM 129 CD LYS A 1 -50.563 5.699 1.846 1.00 20.00 C ATOM 130 CE LYS A 1 -51.395 5.431 3.089 1.00 20.00 C ATOM 131 NZ LYS A 1 -52.771 4.991 2.745 1.00 20.00 N ATOM 0 H LYS A 1 -50.204 6.271 -0.672 1.00 20.00 H new ATOM 0 HA LYS A 1 -48.651 8.369 0.563 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -48.321 5.352 0.437 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -47.237 6.414 1.315 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -48.725 5.561 2.944 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -49.263 7.203 2.653 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -51.074 6.427 1.216 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -50.472 4.782 1.264 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -50.909 4.666 3.694 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -51.443 6.335 3.696 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -53.309 4.818 3.618 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -53.244 5.732 2.189 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -52.726 4.115 2.187 1.00 20.00 H new ATOM 145 N ASN A 2 -47.813 7.099 -2.259 1.00 20.00 N ATOM 146 CA ASN A 2 -46.883 7.117 -3.385 1.00 20.00 C ATOM 147 C ASN A 2 -45.704 6.190 -3.128 1.00 20.00 C ATOM 148 O ASN A 2 -44.549 6.598 -3.221 1.00 20.00 O ATOM 149 CB ASN A 2 -46.392 8.540 -3.674 1.00 20.00 C ATOM 150 CG ASN A 2 -47.479 9.451 -4.217 1.00 20.00 C ATOM 151 OD1 ASN A 2 -47.494 10.646 -3.927 1.00 20.00 O ATOM 152 ND2 ASN A 2 -48.376 8.908 -5.028 1.00 20.00 N ATOM 0 H ASN A 2 -48.730 6.716 -2.489 1.00 20.00 H new ATOM 0 HA ASN A 2 -47.419 6.758 -4.264 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -45.990 8.972 -2.757 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -45.573 8.496 -4.391 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -49.111 9.486 -5.435 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -48.331 7.912 -5.245 1.00 20.00 H new ATOM 159 N ARG A 3 -46.015 4.937 -2.815 1.00 20.00 N ATOM 160 CA ARG A 3 -45.009 3.925 -2.495 1.00 20.00 C ATOM 161 C ARG A 3 -43.945 3.823 -3.591 1.00 20.00 C ATOM 162 O ARG A 3 -42.749 3.775 -3.302 1.00 20.00 O ATOM 163 CB ARG A 3 -45.699 2.570 -2.315 1.00 20.00 C ATOM 164 CG ARG A 3 -44.789 1.453 -1.830 1.00 20.00 C ATOM 165 CD ARG A 3 -44.357 1.659 -0.388 1.00 20.00 C ATOM 166 NE ARG A 3 -43.720 0.462 0.160 1.00 20.00 N ATOM 167 CZ ARG A 3 -43.750 0.124 1.448 1.00 20.00 C ATOM 168 NH1 ARG A 3 -44.357 0.906 2.331 1.00 20.00 N ATOM 169 NH2 ARG A 3 -43.171 -1.002 1.853 1.00 20.00 N ATOM 0 H ARG A 3 -46.974 4.591 -2.775 1.00 20.00 H new ATOM 0 HA ARG A 3 -44.508 4.218 -1.572 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -46.518 2.686 -1.606 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -46.141 2.273 -3.266 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -45.307 0.498 -1.921 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -43.907 1.400 -2.469 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -43.664 2.499 -0.332 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -45.224 1.920 0.218 1.00 20.00 H new ATOM 0 HE ARG A 3 -43.222 -0.152 -0.484 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -44.803 1.770 2.025 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -44.377 0.643 3.316 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -42.704 -1.607 1.177 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -43.194 -1.261 2.839 1.00 20.00 H new ATOM 183 N ALA A 4 -44.384 3.820 -4.846 1.00 20.00 N ATOM 184 CA ALA A 4 -43.473 3.651 -5.973 1.00 20.00 C ATOM 185 C ALA A 4 -42.631 4.902 -6.206 1.00 20.00 C ATOM 186 O ALA A 4 -41.594 4.850 -6.868 1.00 20.00 O ATOM 187 CB ALA A 4 -44.247 3.289 -7.231 1.00 20.00 C ATOM 0 H ALA A 4 -45.363 3.932 -5.108 1.00 20.00 H new ATOM 0 HA ALA A 4 -42.793 2.835 -5.730 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -43.553 3.166 -8.063 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -44.788 2.357 -7.070 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -44.955 4.084 -7.464 1.00 20.00 H new ATOM 193 N LEU A 5 -43.073 6.025 -5.658 1.00 20.00 N ATOM 194 CA LEU A 5 -42.342 7.279 -5.794 1.00 20.00 C ATOM 195 C LEU A 5 -41.633 7.625 -4.494 1.00 20.00 C ATOM 196 O LEU A 5 -41.196 8.758 -4.290 1.00 20.00 O ATOM 197 CB LEU A 5 -43.290 8.417 -6.184 1.00 20.00 C ATOM 198 CG LEU A 5 -44.033 8.233 -7.510 1.00 20.00 C ATOM 199 CD1 LEU A 5 -45.032 9.359 -7.722 1.00 20.00 C ATOM 200 CD2 LEU A 5 -43.052 8.171 -8.671 1.00 20.00 C ATOM 0 H LEU A 5 -43.934 6.095 -5.115 1.00 20.00 H new ATOM 0 HA LEU A 5 -41.599 7.154 -6.582 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -44.026 8.541 -5.390 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -42.717 9.343 -6.235 1.00 20.00 H new ATOM 0 HG LEU A 5 -44.577 7.289 -7.468 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -45.551 9.212 -8.669 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -45.757 9.360 -6.908 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -44.506 10.313 -7.741 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -43.600 8.040 -9.604 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -42.480 9.098 -8.714 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -42.372 7.331 -8.529 1.00 20.00 H new ATOM 212 N SER A 6 -41.525 6.643 -3.617 1.00 20.00 N ATOM 213 CA SER A 6 -40.882 6.842 -2.334 1.00 20.00 C ATOM 214 C SER A 6 -39.831 5.765 -2.085 1.00 20.00 C ATOM 215 O SER A 6 -40.136 4.699 -1.546 1.00 20.00 O ATOM 216 CB SER A 6 -41.925 6.833 -1.213 1.00 20.00 C ATOM 217 OG SER A 6 -42.946 7.787 -1.458 1.00 20.00 O ATOM 0 H SER A 6 -41.876 5.698 -3.772 1.00 20.00 H new ATOM 0 HA SER A 6 -40.384 7.812 -2.345 1.00 20.00 H new ATOM 0 HB2 SER A 6 -42.364 5.839 -1.129 1.00 20.00 H new ATOM 0 HB3 SER A 6 -41.442 7.050 -0.260 1.00 20.00 H new ATOM 0 HG SER A 6 -43.680 7.362 -1.950 1.00 20.00 H new ATOM 223 N PRO A 7 -38.576 6.021 -2.491 1.00 20.00 N ATOM 224 CA PRO A 7 -37.467 5.096 -2.253 1.00 20.00 C ATOM 225 C PRO A 7 -37.124 5.013 -0.770 1.00 20.00 C ATOM 226 O PRO A 7 -36.531 4.036 -0.310 1.00 20.00 O ATOM 227 CB PRO A 7 -36.294 5.696 -3.046 1.00 20.00 C ATOM 228 CG PRO A 7 -36.894 6.758 -3.912 1.00 20.00 C ATOM 229 CD PRO A 7 -38.143 7.220 -3.218 1.00 20.00 C ATOM 0 HA PRO A 7 -37.709 4.079 -2.562 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -35.542 6.115 -2.377 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -35.797 4.934 -3.647 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -36.198 7.586 -4.049 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -37.123 6.367 -4.903 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -37.946 8.053 -2.543 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -38.898 7.557 -3.928 1.00 20.00 H new ATOM 237 N MET A 8 -37.515 6.061 -0.037 1.00 20.00 N ATOM 238 CA MET A 8 -37.336 6.147 1.413 1.00 20.00 C ATOM 239 C MET A 8 -35.875 6.347 1.802 1.00 20.00 C ATOM 240 O MET A 8 -34.958 5.916 1.098 1.00 20.00 O ATOM 241 CB MET A 8 -37.920 4.921 2.123 1.00 20.00 C ATOM 242 CG MET A 8 -39.438 4.872 2.095 1.00 20.00 C ATOM 243 SD MET A 8 -40.111 3.529 3.091 1.00 20.00 S ATOM 244 CE MET A 8 -41.867 3.792 2.855 1.00 20.00 C ATOM 0 H MET A 8 -37.969 6.881 -0.440 1.00 20.00 H new ATOM 0 HA MET A 8 -37.886 7.028 1.743 1.00 20.00 H new ATOM 0 HB2 MET A 8 -37.526 4.018 1.656 1.00 20.00 H new ATOM 0 HB3 MET A 8 -37.583 4.916 3.160 1.00 20.00 H new ATOM 0 HG2 MET A 8 -39.834 5.821 2.457 1.00 20.00 H new ATOM 0 HG3 MET A 8 -39.775 4.758 1.065 1.00 20.00 H new ATOM 0 HE1 MET A 8 -42.426 3.038 3.410 1.00 20.00 H new ATOM 0 HE2 MET A 8 -42.138 4.784 3.216 1.00 20.00 H new ATOM 0 HE3 MET A 8 -42.107 3.714 1.795 1.00 20.00 H new ATOM 254 N VAL A 9 -35.672 7.021 2.924 1.00 20.00 N ATOM 255 CA VAL A 9 -34.341 7.306 3.431 1.00 20.00 C ATOM 256 C VAL A 9 -34.402 7.563 4.934 1.00 20.00 C ATOM 257 O VAL A 9 -35.279 8.283 5.417 1.00 20.00 O ATOM 258 CB VAL A 9 -33.704 8.520 2.705 1.00 20.00 C ATOM 259 CG1 VAL A 9 -34.588 9.755 2.815 1.00 20.00 C ATOM 260 CG2 VAL A 9 -32.309 8.812 3.242 1.00 20.00 C ATOM 0 H VAL A 9 -36.426 7.385 3.507 1.00 20.00 H new ATOM 0 HA VAL A 9 -33.712 6.437 3.238 1.00 20.00 H new ATOM 0 HB VAL A 9 -33.615 8.260 1.650 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -34.115 10.589 2.297 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -35.558 9.550 2.362 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -34.725 10.012 3.865 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.888 9.668 2.714 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -32.369 9.036 4.307 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -31.671 7.942 3.089 1.00 20.00 H new ATOM 270 N SER A 10 -33.503 6.938 5.674 1.00 20.00 N ATOM 271 CA SER A 10 -33.438 7.117 7.115 1.00 20.00 C ATOM 272 C SER A 10 -32.015 6.879 7.605 1.00 20.00 C ATOM 273 O SER A 10 -31.341 5.959 7.143 1.00 20.00 O ATOM 274 CB SER A 10 -34.420 6.166 7.807 1.00 20.00 C ATOM 275 OG SER A 10 -35.753 6.442 7.403 1.00 20.00 O ATOM 0 H SER A 10 -32.803 6.298 5.298 1.00 20.00 H new ATOM 0 HA SER A 10 -33.720 8.140 7.363 1.00 20.00 H new ATOM 0 HB2 SER A 10 -34.167 5.134 7.564 1.00 20.00 H new ATOM 0 HB3 SER A 10 -34.333 6.269 8.889 1.00 20.00 H new ATOM 0 HG SER A 10 -35.757 7.202 6.785 1.00 20.00 H new ATOM 281 N GLU A 11 -31.560 7.726 8.519 1.00 20.00 N ATOM 282 CA GLU A 11 -30.194 7.664 9.020 1.00 20.00 C ATOM 283 C GLU A 11 -30.004 6.432 9.893 1.00 20.00 C ATOM 284 O GLU A 11 -30.592 6.340 10.975 1.00 20.00 O ATOM 285 CB GLU A 11 -29.848 8.918 9.839 1.00 20.00 C ATOM 286 CG GLU A 11 -30.210 10.244 9.179 1.00 20.00 C ATOM 287 CD GLU A 11 -31.697 10.554 9.228 1.00 20.00 C ATOM 288 OE1 GLU A 11 -32.442 9.835 9.930 1.00 20.00 O ATOM 289 OE2 GLU A 11 -32.133 11.511 8.556 1.00 20.00 O ATOM 0 H GLU A 11 -32.123 8.470 8.931 1.00 20.00 H new ATOM 0 HA GLU A 11 -29.529 7.609 8.158 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -30.359 8.857 10.800 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -28.778 8.914 10.046 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -29.662 11.048 9.670 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -29.884 10.225 8.139 1.00 20.00 H new ATOM 296 N PHE A 12 -29.189 5.494 9.411 1.00 20.00 N ATOM 297 CA PHE A 12 -28.881 4.261 10.139 1.00 20.00 C ATOM 298 C PHE A 12 -30.139 3.396 10.300 1.00 20.00 C ATOM 299 O PHE A 12 -31.223 3.797 9.879 1.00 20.00 O ATOM 300 CB PHE A 12 -28.262 4.609 11.503 1.00 20.00 C ATOM 301 CG PHE A 12 -27.621 3.449 12.224 1.00 20.00 C ATOM 302 CD1 PHE A 12 -26.456 2.876 11.738 1.00 20.00 C ATOM 303 CD2 PHE A 12 -28.181 2.933 13.385 1.00 20.00 C ATOM 304 CE1 PHE A 12 -25.863 1.815 12.392 1.00 20.00 C ATOM 305 CE2 PHE A 12 -27.589 1.871 14.043 1.00 20.00 C ATOM 306 CZ PHE A 12 -26.430 1.311 13.545 1.00 20.00 C ATOM 0 H PHE A 12 -28.724 5.566 8.506 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.158 3.679 9.568 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -27.512 5.387 11.358 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -29.039 5.030 12.141 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -26.007 3.265 10.836 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -29.089 3.366 13.778 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -24.955 1.379 12.001 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -28.033 1.480 14.946 1.00 20.00 H new ATOM 0 HZ PHE A 12 -25.968 0.480 14.057 1.00 20.00 H new ATOM 316 N GLU A 13 -29.947 2.190 10.849 1.00 20.00 N ATOM 317 CA GLU A 13 -31.012 1.230 11.212 1.00 20.00 C ATOM 318 C GLU A 13 -31.760 0.665 9.997 1.00 20.00 C ATOM 319 O GLU A 13 -31.990 -0.541 9.920 1.00 20.00 O ATOM 320 CB GLU A 13 -31.989 1.805 12.262 1.00 20.00 C ATOM 321 CG GLU A 13 -33.057 2.746 11.729 1.00 20.00 C ATOM 322 CD GLU A 13 -33.916 3.326 12.827 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.852 2.640 13.277 1.00 20.00 O ATOM 324 OE2 GLU A 13 -33.651 4.470 13.256 1.00 20.00 O ATOM 0 H GLU A 13 -29.014 1.838 11.063 1.00 20.00 H new ATOM 0 HA GLU A 13 -30.496 0.388 11.673 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.483 0.973 12.764 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -31.409 2.335 13.018 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -32.580 3.557 11.178 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -33.690 2.209 11.022 1.00 20.00 H new ATOM 331 N THR A 14 -32.130 1.511 9.056 1.00 20.00 N ATOM 332 CA THR A 14 -32.821 1.060 7.862 1.00 20.00 C ATOM 333 C THR A 14 -32.126 1.569 6.605 1.00 20.00 C ATOM 334 O THR A 14 -32.615 2.471 5.924 1.00 20.00 O ATOM 335 CB THR A 14 -34.298 1.503 7.866 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.396 2.897 8.186 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.106 0.687 8.863 1.00 20.00 C ATOM 0 H THR A 14 -31.964 2.517 9.094 1.00 20.00 H new ATOM 0 HA THR A 14 -32.791 -0.030 7.862 1.00 20.00 H new ATOM 0 HB THR A 14 -34.705 1.334 6.869 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.192 3.276 7.758 1.00 20.00 H new ATOM 0 HG21 THR A 14 -36.144 1.018 8.847 1.00 20.00 H new ATOM 0 HG22 THR A 14 -35.057 -0.368 8.594 1.00 20.00 H new ATOM 0 HG23 THR A 14 -34.696 0.825 9.863 1.00 20.00 H new ATOM 345 N ILE A 15 -30.966 0.999 6.325 1.00 20.00 N ATOM 346 CA ILE A 15 -30.216 1.322 5.126 1.00 20.00 C ATOM 347 C ILE A 15 -30.294 0.157 4.143 1.00 20.00 C ATOM 348 O ILE A 15 -29.957 -0.979 4.476 1.00 20.00 O ATOM 349 CB ILE A 15 -28.740 1.612 5.459 1.00 20.00 C ATOM 350 CG1 ILE A 15 -28.624 2.760 6.469 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.964 1.935 4.192 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.025 4.114 5.921 1.00 20.00 C ATOM 0 H ILE A 15 -30.520 0.302 6.921 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.653 2.215 4.680 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.310 0.718 5.911 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.247 2.532 7.334 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -27.595 2.815 6.823 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -26.923 2.137 4.444 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.013 1.087 3.509 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.398 2.812 3.713 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -28.914 4.869 6.699 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -28.386 4.368 5.075 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -30.064 4.081 5.594 1.00 20.00 H new ATOM 364 N GLU A 16 -30.746 0.462 2.931 1.00 20.00 N ATOM 365 CA GLU A 16 -30.959 -0.538 1.889 1.00 20.00 C ATOM 366 C GLU A 16 -29.681 -1.304 1.552 1.00 20.00 C ATOM 367 O GLU A 16 -29.697 -2.531 1.469 1.00 20.00 O ATOM 368 CB GLU A 16 -31.509 0.140 0.635 1.00 20.00 C ATOM 369 CG GLU A 16 -31.660 -0.784 -0.561 1.00 20.00 C ATOM 370 CD GLU A 16 -32.116 -0.042 -1.794 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.250 0.449 -2.555 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.342 0.070 -2.004 1.00 20.00 O ATOM 0 H GLU A 16 -30.976 1.413 2.642 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.679 -1.263 2.268 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.481 0.575 0.868 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.849 0.963 0.362 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.707 -1.273 -0.764 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.378 -1.569 -0.324 1.00 20.00 H new ATOM 379 N GLN A 17 -28.580 -0.586 1.347 1.00 20.00 N ATOM 380 CA GLN A 17 -27.319 -1.236 1.000 1.00 20.00 C ATOM 381 C GLN A 17 -26.776 -2.033 2.183 1.00 20.00 C ATOM 382 O GLN A 17 -26.100 -3.042 2.005 1.00 20.00 O ATOM 383 CB GLN A 17 -26.278 -0.223 0.496 1.00 20.00 C ATOM 384 CG GLN A 17 -25.876 0.840 1.509 1.00 20.00 C ATOM 385 CD GLN A 17 -24.802 1.773 0.974 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.971 1.375 0.155 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.814 3.022 1.418 1.00 20.00 N ATOM 0 H GLN A 17 -28.534 0.431 1.414 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.521 -1.929 0.184 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.385 -0.765 0.186 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.674 0.272 -0.391 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.754 1.423 1.788 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.514 0.356 2.416 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.517 3.316 2.096 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.120 3.690 1.082 1.00 20.00 H new ATOM 396 N GLU A 18 -27.113 -1.597 3.390 1.00 20.00 N ATOM 397 CA GLU A 18 -26.696 -2.295 4.600 1.00 20.00 C ATOM 398 C GLU A 18 -27.459 -3.613 4.704 1.00 20.00 C ATOM 399 O GLU A 18 -26.885 -4.662 4.999 1.00 20.00 O ATOM 400 CB GLU A 18 -26.949 -1.404 5.830 1.00 20.00 C ATOM 401 CG GLU A 18 -26.233 -1.830 7.110 1.00 20.00 C ATOM 402 CD GLU A 18 -26.784 -3.099 7.726 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.978 -3.116 8.102 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.020 -4.077 7.859 1.00 20.00 O ATOM 0 H GLU A 18 -27.675 -0.762 3.558 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.629 -2.513 4.558 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.646 -0.385 5.587 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.021 -1.380 6.025 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.174 -1.973 6.893 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.303 -1.023 7.840 1.00 20.00 H new ATOM 411 N ASN A 19 -28.755 -3.554 4.417 1.00 20.00 N ATOM 412 CA ASN A 19 -29.600 -4.745 4.432 1.00 20.00 C ATOM 413 C ASN A 19 -29.148 -5.721 3.350 1.00 20.00 C ATOM 414 O ASN A 19 -29.353 -6.931 3.458 1.00 20.00 O ATOM 415 CB ASN A 19 -31.072 -4.364 4.219 1.00 20.00 C ATOM 416 CG ASN A 19 -32.019 -5.534 4.436 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.341 -6.273 3.506 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.479 -5.702 5.668 1.00 20.00 N ATOM 0 H ASN A 19 -29.245 -2.694 4.171 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.505 -5.226 5.406 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.336 -3.557 4.902 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.201 -3.981 3.207 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.124 -6.466 5.872 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.188 -5.068 6.412 1.00 20.00 H new ATOM 425 N SER A 20 -28.504 -5.185 2.320 1.00 20.00 N ATOM 426 CA SER A 20 -27.990 -6.002 1.232 1.00 20.00 C ATOM 427 C SER A 20 -26.785 -6.817 1.701 1.00 20.00 C ATOM 428 O SER A 20 -26.523 -7.906 1.191 1.00 20.00 O ATOM 429 CB SER A 20 -27.615 -5.118 0.038 1.00 20.00 C ATOM 430 OG SER A 20 -28.715 -4.309 -0.361 1.00 20.00 O ATOM 0 H SER A 20 -28.326 -4.186 2.217 1.00 20.00 H new ATOM 0 HA SER A 20 -28.769 -6.696 0.916 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.769 -4.484 0.302 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.297 -5.743 -0.796 1.00 20.00 H new ATOM 0 HG SER A 20 -28.881 -3.624 0.320 1.00 20.00 H new ATOM 436 N TYR A 21 -26.071 -6.302 2.698 1.00 20.00 N ATOM 437 CA TYR A 21 -24.920 -7.006 3.249 1.00 20.00 C ATOM 438 C TYR A 21 -25.369 -8.126 4.175 1.00 20.00 C ATOM 439 O TYR A 21 -24.633 -9.086 4.403 1.00 20.00 O ATOM 440 CB TYR A 21 -23.983 -6.042 3.978 1.00 20.00 C ATOM 441 CG TYR A 21 -23.330 -5.039 3.052 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.685 -5.457 1.894 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.362 -3.679 3.329 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.094 -4.549 1.039 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.772 -2.765 2.477 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.141 -3.205 1.335 1.00 20.00 C ATOM 447 OH TYR A 21 -21.553 -2.296 0.482 1.00 20.00 O ATOM 0 H TYR A 21 -26.269 -5.404 3.138 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.367 -7.448 2.420 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.545 -5.508 4.745 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.209 -6.614 4.490 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.646 -6.510 1.659 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.856 -3.330 4.224 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.597 -4.891 0.143 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.806 -1.710 2.706 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.676 -1.390 0.834 1.00 20.00 H new ATOM 457 N ASN A 22 -26.579 -8.003 4.708 1.00 20.00 N ATOM 458 CA ASN A 22 -27.195 -9.099 5.452 1.00 20.00 C ATOM 459 C ASN A 22 -27.388 -10.290 4.528 1.00 20.00 C ATOM 460 O ASN A 22 -27.210 -11.445 4.919 1.00 20.00 O ATOM 461 CB ASN A 22 -28.550 -8.680 6.034 1.00 20.00 C ATOM 462 CG ASN A 22 -28.421 -7.746 7.221 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.475 -7.838 8.001 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.373 -6.837 7.366 1.00 20.00 N ATOM 0 H ASN A 22 -27.151 -7.161 4.641 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.536 -9.367 6.277 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.138 -8.192 5.257 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.100 -9.571 6.338 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.337 -6.181 8.146 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.142 -6.793 6.697 1.00 20.00 H new ATOM 471 N GLU A 23 -27.722 -9.984 3.282 1.00 20.00 N ATOM 472 CA GLU A 23 -27.953 -10.999 2.271 1.00 20.00 C ATOM 473 C GLU A 23 -26.654 -11.717 1.932 1.00 20.00 C ATOM 474 O GLU A 23 -26.631 -12.940 1.786 1.00 20.00 O ATOM 475 CB GLU A 23 -28.558 -10.351 1.024 1.00 20.00 C ATOM 476 CG GLU A 23 -28.982 -11.335 -0.049 1.00 20.00 C ATOM 477 CD GLU A 23 -29.627 -10.638 -1.223 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.858 -10.439 -1.201 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.903 -10.262 -2.166 1.00 20.00 O ATOM 0 H GLU A 23 -27.839 -9.028 2.947 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.654 -11.739 2.658 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.424 -9.760 1.320 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.830 -9.660 0.599 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.113 -11.896 -0.392 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.681 -12.056 0.375 1.00 20.00 H new ATOM 486 N TRP A 24 -25.570 -10.955 1.824 1.00 20.00 N ATOM 487 CA TRP A 24 -24.257 -11.533 1.568 1.00 20.00 C ATOM 488 C TRP A 24 -23.774 -12.329 2.775 1.00 20.00 C ATOM 489 O TRP A 24 -23.058 -13.317 2.628 1.00 20.00 O ATOM 490 CB TRP A 24 -23.239 -10.449 1.205 1.00 20.00 C ATOM 491 CG TRP A 24 -23.500 -9.823 -0.129 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.915 -8.546 -0.371 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.365 -10.451 -1.411 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.048 -8.342 -1.721 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.715 -9.496 -2.381 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.981 -11.728 -1.830 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.693 -9.776 -3.746 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.960 -12.006 -3.184 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.313 -11.034 -4.127 1.00 20.00 C ATOM 0 H TRP A 24 -25.575 -9.939 1.910 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.351 -12.210 0.719 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.252 -9.675 1.972 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.239 -10.883 1.207 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.110 -7.804 0.389 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.346 -7.472 -2.162 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.706 -12.484 -1.109 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.966 -9.028 -4.476 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.666 -12.990 -3.520 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -23.285 -11.282 -5.178 1.00 20.00 H new ATOM 510 N LEU A 25 -24.184 -11.904 3.964 1.00 20.00 N ATOM 511 CA LEU A 25 -23.838 -12.611 5.190 1.00 20.00 C ATOM 512 C LEU A 25 -24.490 -13.988 5.206 1.00 20.00 C ATOM 513 O LEU A 25 -23.855 -14.980 5.559 1.00 20.00 O ATOM 514 CB LEU A 25 -24.268 -11.795 6.414 1.00 20.00 C ATOM 515 CG LEU A 25 -23.999 -12.444 7.777 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.524 -12.782 7.938 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.454 -11.522 8.896 1.00 20.00 C ATOM 0 H LEU A 25 -24.757 -11.072 4.105 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.756 -12.741 5.227 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.757 -10.833 6.384 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.336 -11.591 6.334 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.567 -13.373 7.831 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.360 -13.241 8.913 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.222 -13.477 7.154 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.931 -11.870 7.862 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.258 -11.994 9.859 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.909 -10.580 8.836 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.522 -11.330 8.797 1.00 20.00 H new ATOM 529 N ARG A 26 -25.755 -14.048 4.807 1.00 20.00 N ATOM 530 CA ARG A 26 -26.461 -15.319 4.725 1.00 20.00 C ATOM 531 C ARG A 26 -25.920 -16.156 3.570 1.00 20.00 C ATOM 532 O ARG A 26 -25.985 -17.384 3.594 1.00 20.00 O ATOM 533 CB ARG A 26 -27.968 -15.093 4.564 1.00 20.00 C ATOM 534 CG ARG A 26 -28.608 -14.396 5.758 1.00 20.00 C ATOM 535 CD ARG A 26 -30.121 -14.310 5.627 1.00 20.00 C ATOM 536 NE ARG A 26 -30.721 -13.632 6.774 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.985 -13.791 7.165 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.801 -14.593 6.489 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.433 -13.141 8.231 1.00 20.00 N ATOM 0 H ARG A 26 -26.310 -13.236 4.537 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.295 -15.863 5.655 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.145 -14.498 3.668 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.457 -16.055 4.409 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.354 -14.935 6.671 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.195 -13.392 5.855 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.378 -13.776 4.712 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.537 -15.314 5.538 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.133 -12.995 7.311 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.461 -15.091 5.666 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.768 -14.711 6.793 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.810 -12.521 8.749 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.400 -13.261 8.532 1.00 20.00 H new ATOM 553 N ALA A 27 -25.365 -15.482 2.570 1.00 20.00 N ATOM 554 CA ALA A 27 -24.769 -16.154 1.424 1.00 20.00 C ATOM 555 C ALA A 27 -23.415 -16.754 1.783 1.00 20.00 C ATOM 556 O ALA A 27 -22.899 -17.615 1.071 1.00 20.00 O ATOM 557 CB ALA A 27 -24.621 -15.189 0.262 1.00 20.00 C ATOM 0 H ALA A 27 -25.316 -14.464 2.531 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.434 -16.965 1.128 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.174 -15.707 -0.586 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.602 -14.808 -0.021 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.981 -14.358 0.558 1.00 20.00 H new ATOM 563 N LYS A 28 -22.847 -16.303 2.899 1.00 20.00 N ATOM 564 CA LYS A 28 -21.547 -16.794 3.355 1.00 20.00 C ATOM 565 C LYS A 28 -21.637 -18.243 3.826 1.00 20.00 C ATOM 566 O LYS A 28 -20.620 -18.890 4.067 1.00 20.00 O ATOM 567 CB LYS A 28 -20.986 -15.916 4.479 1.00 20.00 C ATOM 568 CG LYS A 28 -20.494 -14.549 4.018 1.00 20.00 C ATOM 569 CD LYS A 28 -19.985 -13.724 5.190 1.00 20.00 C ATOM 570 CE LYS A 28 -19.447 -12.368 4.746 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.200 -12.492 3.944 1.00 20.00 N ATOM 0 H LYS A 28 -23.266 -15.598 3.505 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.868 -16.746 2.503 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.759 -15.776 5.235 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.162 -16.443 4.960 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.697 -14.675 3.285 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.304 -14.017 3.520 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -20.793 -13.576 5.907 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.198 -14.275 5.706 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.206 -11.853 4.157 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.253 -11.751 5.624 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.807 -11.546 3.765 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.506 -13.062 4.468 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.415 -12.954 3.038 1.00 20.00 H new ATOM 585 N VAL A 29 -22.857 -18.744 3.960 1.00 20.00 N ATOM 586 CA VAL A 29 -23.077 -20.135 4.328 1.00 20.00 C ATOM 587 C VAL A 29 -22.688 -21.059 3.176 1.00 20.00 C ATOM 588 O VAL A 29 -22.190 -22.166 3.387 1.00 20.00 O ATOM 589 CB VAL A 29 -24.550 -20.381 4.719 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.802 -21.853 5.005 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.931 -19.529 5.921 1.00 20.00 C ATOM 0 H VAL A 29 -23.712 -18.206 3.819 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.449 -20.354 5.192 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.176 -20.091 3.875 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.847 -21.997 5.278 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.575 -22.441 4.115 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.164 -22.178 5.827 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.973 -19.715 6.183 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.293 -19.786 6.766 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.801 -18.475 5.676 1.00 20.00 H new ATOM 601 N ALA A 30 -22.900 -20.588 1.956 1.00 20.00 N ATOM 602 CA ALA A 30 -22.600 -21.376 0.773 1.00 20.00 C ATOM 603 C ALA A 30 -22.180 -20.478 -0.387 1.00 20.00 C ATOM 604 O ALA A 30 -22.848 -20.420 -1.419 1.00 20.00 O ATOM 605 CB ALA A 30 -23.805 -22.218 0.387 1.00 20.00 C ATOM 0 H ALA A 30 -23.280 -19.662 1.761 1.00 20.00 H new ATOM 0 HA ALA A 30 -21.767 -22.040 1.003 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -23.569 -22.805 -0.501 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.059 -22.888 1.208 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.652 -21.566 0.176 1.00 20.00 H new ATOM 611 N THR A 31 -21.067 -19.784 -0.218 1.00 20.00 N ATOM 612 CA THR A 31 -20.577 -18.871 -1.241 1.00 20.00 C ATOM 613 C THR A 31 -19.785 -19.631 -2.306 1.00 20.00 C ATOM 614 O THR A 31 -18.566 -19.494 -2.414 1.00 20.00 O ATOM 615 CB THR A 31 -19.689 -17.778 -0.619 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.271 -17.330 0.610 1.00 20.00 O ATOM 617 CG2 THR A 31 -19.533 -16.594 -1.563 1.00 20.00 C ATOM 0 H THR A 31 -20.484 -19.834 0.618 1.00 20.00 H new ATOM 0 HA THR A 31 -21.441 -18.399 -1.709 1.00 20.00 H new ATOM 0 HB THR A 31 -18.703 -18.204 -0.433 1.00 20.00 H new ATOM 0 HG1 THR A 31 -21.244 -17.440 0.570 1.00 20.00 H new ATOM 0 HG21 THR A 31 -18.901 -15.838 -1.097 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.073 -16.928 -2.493 1.00 20.00 H new ATOM 0 HG23 THR A 31 -20.513 -16.167 -1.776 1.00 20.00 H new ATOM 625 N SER A 32 -20.485 -20.447 -3.078 1.00 20.00 N ATOM 626 CA SER A 32 -19.856 -21.245 -4.117 1.00 20.00 C ATOM 627 C SER A 32 -19.842 -20.488 -5.442 1.00 20.00 C ATOM 628 O SER A 32 -20.648 -20.757 -6.335 1.00 20.00 O ATOM 629 CB SER A 32 -20.603 -22.570 -4.267 1.00 20.00 C ATOM 630 OG SER A 32 -20.818 -23.167 -2.999 1.00 20.00 O ATOM 0 H SER A 32 -21.494 -20.574 -3.003 1.00 20.00 H new ATOM 0 HA SER A 32 -18.823 -21.447 -3.832 1.00 20.00 H new ATOM 0 HB2 SER A 32 -21.559 -22.401 -4.762 1.00 20.00 H new ATOM 0 HB3 SER A 32 -20.031 -23.247 -4.901 1.00 20.00 H new ATOM 0 HG SER A 32 -21.299 -24.013 -3.113 1.00 20.00 H new ATOM 636 N LEU A 33 -18.932 -19.531 -5.560 1.00 20.00 N ATOM 637 CA LEU A 33 -18.805 -18.749 -6.782 1.00 20.00 C ATOM 638 C LEU A 33 -17.626 -19.239 -7.616 1.00 20.00 C ATOM 639 O LEU A 33 -17.237 -18.612 -8.604 1.00 20.00 O ATOM 640 CB LEU A 33 -18.694 -17.249 -6.454 1.00 20.00 C ATOM 641 CG LEU A 33 -17.681 -16.863 -5.367 1.00 20.00 C ATOM 642 CD1 LEU A 33 -16.259 -16.930 -5.892 1.00 20.00 C ATOM 643 CD2 LEU A 33 -17.983 -15.471 -4.835 1.00 20.00 C ATOM 0 H LEU A 33 -18.271 -19.278 -4.825 1.00 20.00 H new ATOM 0 HA LEU A 33 -19.705 -18.887 -7.382 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -18.433 -16.717 -7.369 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -19.677 -16.892 -6.147 1.00 20.00 H new ATOM 0 HG LEU A 33 -17.772 -17.581 -4.552 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -15.565 -16.651 -5.099 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.041 -17.945 -6.225 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -16.148 -16.242 -6.730 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -17.257 -15.210 -4.065 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -17.923 -14.749 -5.650 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -18.986 -15.454 -4.409 1.00 20.00 H new ATOM 655 N ALA A 34 -17.070 -20.371 -7.183 1.00 20.00 N ATOM 656 CA ALA A 34 -16.001 -21.063 -7.896 1.00 20.00 C ATOM 657 C ALA A 34 -14.730 -20.228 -7.965 1.00 20.00 C ATOM 658 O ALA A 34 -14.288 -19.830 -9.044 1.00 20.00 O ATOM 659 CB ALA A 34 -16.460 -21.471 -9.289 1.00 20.00 C ATOM 0 H ALA A 34 -17.353 -20.836 -6.320 1.00 20.00 H new ATOM 0 HA ALA A 34 -15.763 -21.965 -7.332 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -15.648 -21.985 -9.803 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -17.319 -22.138 -9.208 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -16.742 -20.583 -9.854 1.00 20.00 H new ATOM 665 N ASP A 35 -14.144 -19.960 -6.810 1.00 20.00 N ATOM 666 CA ASP A 35 -12.872 -19.260 -6.755 1.00 20.00 C ATOM 667 C ASP A 35 -11.760 -20.223 -6.349 1.00 20.00 C ATOM 668 O ASP A 35 -11.725 -20.721 -5.225 1.00 20.00 O ATOM 669 CB ASP A 35 -12.935 -18.056 -5.801 1.00 20.00 C ATOM 670 CG ASP A 35 -13.173 -18.429 -4.348 1.00 20.00 C ATOM 671 OD1 ASP A 35 -14.302 -18.844 -4.004 1.00 20.00 O ATOM 672 OD2 ASP A 35 -12.234 -18.291 -3.535 1.00 20.00 O ATOM 0 H ASP A 35 -14.528 -20.216 -5.900 1.00 20.00 H new ATOM 0 HA ASP A 35 -12.652 -18.873 -7.750 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -12.001 -17.499 -5.874 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -13.731 -17.388 -6.129 1.00 20.00 H new ATOM 677 N PRO A 36 -10.854 -20.539 -7.284 1.00 20.00 N ATOM 678 CA PRO A 36 -9.734 -21.442 -7.020 1.00 20.00 C ATOM 679 C PRO A 36 -8.584 -20.748 -6.290 1.00 20.00 C ATOM 680 O PRO A 36 -7.652 -21.398 -5.814 1.00 20.00 O ATOM 681 CB PRO A 36 -9.306 -21.875 -8.422 1.00 20.00 C ATOM 682 CG PRO A 36 -9.654 -20.720 -9.298 1.00 20.00 C ATOM 683 CD PRO A 36 -10.871 -20.071 -8.686 1.00 20.00 C ATOM 0 HA PRO A 36 -10.014 -22.270 -6.368 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -8.239 -22.094 -8.460 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -9.828 -22.780 -8.734 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -8.826 -20.014 -9.357 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -9.862 -21.053 -10.315 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -10.817 -18.984 -8.745 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -11.785 -20.373 -9.197 1.00 20.00 H new ATOM 691 N ARG A 37 -8.663 -19.430 -6.186 1.00 20.00 N ATOM 692 CA ARG A 37 -7.617 -18.647 -5.551 1.00 20.00 C ATOM 693 C ARG A 37 -8.192 -17.778 -4.442 1.00 20.00 C ATOM 694 O ARG A 37 -9.140 -17.028 -4.671 1.00 20.00 O ATOM 695 CB ARG A 37 -6.917 -17.761 -6.583 1.00 20.00 C ATOM 696 CG ARG A 37 -5.928 -16.783 -5.970 1.00 20.00 C ATOM 697 CD ARG A 37 -5.419 -15.782 -6.993 1.00 20.00 C ATOM 698 NE ARG A 37 -4.543 -14.784 -6.385 1.00 20.00 N ATOM 699 CZ ARG A 37 -4.386 -13.543 -6.845 1.00 20.00 C ATOM 700 NH1 ARG A 37 -5.031 -13.138 -7.932 1.00 20.00 N ATOM 701 NH2 ARG A 37 -3.572 -12.707 -6.218 1.00 20.00 N ATOM 0 H ARG A 37 -9.446 -18.879 -6.536 1.00 20.00 H new ATOM 0 HA ARG A 37 -6.893 -19.338 -5.118 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -6.393 -18.395 -7.299 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -7.669 -17.203 -7.141 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -6.405 -16.251 -5.147 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -5.086 -17.333 -5.549 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -4.879 -16.309 -7.780 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -6.265 -15.283 -7.466 1.00 20.00 H new ATOM 0 HE ARG A 37 -4.017 -15.054 -5.554 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -5.654 -13.779 -8.424 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -4.904 -12.186 -8.276 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -3.068 -13.014 -5.386 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -3.449 -11.757 -6.567 1.00 20.00 H new ATOM 715 N PRO A 38 -7.637 -17.876 -3.226 1.00 20.00 N ATOM 716 CA PRO A 38 -8.018 -17.002 -2.119 1.00 20.00 C ATOM 717 C PRO A 38 -7.476 -15.590 -2.327 1.00 20.00 C ATOM 718 O PRO A 38 -6.342 -15.279 -1.955 1.00 20.00 O ATOM 719 CB PRO A 38 -7.373 -17.664 -0.898 1.00 20.00 C ATOM 720 CG PRO A 38 -6.211 -18.421 -1.444 1.00 20.00 C ATOM 721 CD PRO A 38 -6.604 -18.855 -2.832 1.00 20.00 C ATOM 0 HA PRO A 38 -9.098 -16.892 -2.018 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -7.053 -16.921 -0.168 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -8.074 -18.327 -0.391 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -5.318 -17.797 -1.470 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -5.979 -19.283 -0.818 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -5.753 -18.836 -3.513 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -6.994 -19.873 -2.838 1.00 20.00 H new ATOM 729 N ALA A 39 -8.281 -14.750 -2.950 1.00 20.00 N ATOM 730 CA ALA A 39 -7.868 -13.396 -3.274 1.00 20.00 C ATOM 731 C ALA A 39 -8.430 -12.404 -2.270 1.00 20.00 C ATOM 732 O ALA A 39 -9.586 -12.516 -1.855 1.00 20.00 O ATOM 733 CB ALA A 39 -8.314 -13.036 -4.684 1.00 20.00 C ATOM 0 H ALA A 39 -9.230 -14.983 -3.243 1.00 20.00 H new ATOM 0 HA ALA A 39 -6.780 -13.347 -3.225 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -7.999 -12.019 -4.917 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -7.863 -13.727 -5.396 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -9.400 -13.104 -4.751 1.00 20.00 H new ATOM 739 N ILE A 40 -7.603 -11.446 -1.876 1.00 20.00 N ATOM 740 CA ILE A 40 -8.025 -10.402 -0.956 1.00 20.00 C ATOM 741 C ILE A 40 -8.930 -9.416 -1.684 1.00 20.00 C ATOM 742 O ILE A 40 -8.509 -8.788 -2.659 1.00 20.00 O ATOM 743 CB ILE A 40 -6.820 -9.642 -0.356 1.00 20.00 C ATOM 744 CG1 ILE A 40 -5.852 -10.615 0.325 1.00 20.00 C ATOM 745 CG2 ILE A 40 -7.299 -8.588 0.636 1.00 20.00 C ATOM 746 CD1 ILE A 40 -4.642 -9.940 0.930 1.00 20.00 C ATOM 0 H ILE A 40 -6.633 -11.371 -2.181 1.00 20.00 H new ATOM 0 HA ILE A 40 -8.564 -10.879 -0.137 1.00 20.00 H new ATOM 0 HB ILE A 40 -6.290 -9.143 -1.167 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -6.384 -11.157 1.107 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -5.519 -11.353 -0.404 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -6.439 -8.061 1.050 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -7.949 -7.877 0.126 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -7.851 -9.071 1.442 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -4.001 -10.690 1.394 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -4.086 -9.421 0.149 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -4.965 -9.222 1.683 1.00 20.00 H new ATOM 758 N PRO A 41 -10.187 -9.278 -1.235 1.00 20.00 N ATOM 759 CA PRO A 41 -11.156 -8.403 -1.889 1.00 20.00 C ATOM 760 C PRO A 41 -10.715 -6.943 -1.850 1.00 20.00 C ATOM 761 O PRO A 41 -10.556 -6.356 -0.778 1.00 20.00 O ATOM 762 CB PRO A 41 -12.446 -8.600 -1.081 1.00 20.00 C ATOM 763 CG PRO A 41 -12.019 -9.195 0.218 1.00 20.00 C ATOM 764 CD PRO A 41 -10.751 -9.956 -0.057 1.00 20.00 C ATOM 0 HA PRO A 41 -11.274 -8.645 -2.945 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -12.961 -7.652 -0.927 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -13.140 -9.258 -1.604 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -11.851 -8.418 0.964 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -12.790 -9.856 0.614 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -10.069 -9.918 0.792 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -10.951 -11.008 -0.258 1.00 20.00 H new ATOM 772 N HIS A 42 -10.525 -6.355 -3.025 1.00 20.00 N ATOM 773 CA HIS A 42 -10.064 -4.979 -3.119 1.00 20.00 C ATOM 774 C HIS A 42 -11.166 -4.023 -2.699 1.00 20.00 C ATOM 775 O HIS A 42 -10.892 -2.920 -2.236 1.00 20.00 O ATOM 776 CB HIS A 42 -9.591 -4.651 -4.539 1.00 20.00 C ATOM 777 CG HIS A 42 -8.300 -5.313 -4.922 1.00 20.00 C ATOM 778 ND1 HIS A 42 -7.816 -5.322 -6.211 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.389 -5.986 -4.178 1.00 20.00 C ATOM 780 CE1 HIS A 42 -6.670 -5.974 -6.246 1.00 20.00 C ATOM 781 NE2 HIS A 42 -6.387 -6.387 -5.025 1.00 20.00 N ATOM 0 H HIS A 42 -10.683 -6.810 -3.924 1.00 20.00 H new ATOM 0 HA HIS A 42 -9.217 -4.861 -2.443 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.364 -4.950 -5.246 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -9.475 -3.571 -4.632 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -7.442 -6.172 -3.115 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -6.066 -6.142 -7.125 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -5.559 -6.918 -4.755 1.00 20.00 H new ATOM 790 N ASP A 43 -12.413 -4.468 -2.829 1.00 20.00 N ATOM 791 CA ASP A 43 -13.567 -3.649 -2.462 1.00 20.00 C ATOM 792 C ASP A 43 -13.544 -3.331 -0.972 1.00 20.00 C ATOM 793 O ASP A 43 -14.032 -2.284 -0.541 1.00 20.00 O ATOM 794 CB ASP A 43 -14.882 -4.349 -2.827 1.00 20.00 C ATOM 795 CG ASP A 43 -15.095 -5.644 -2.068 1.00 20.00 C ATOM 796 OD1 ASP A 43 -14.585 -6.689 -2.519 1.00 20.00 O ATOM 797 OD2 ASP A 43 -15.770 -5.621 -1.017 1.00 20.00 O ATOM 0 H ASP A 43 -12.651 -5.393 -3.186 1.00 20.00 H new ATOM 0 HA ASP A 43 -13.506 -2.718 -3.025 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -15.714 -3.675 -2.625 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -14.892 -4.556 -3.897 1.00 20.00 H new ATOM 802 N GLU A 44 -12.964 -4.238 -0.197 1.00 20.00 N ATOM 803 CA GLU A 44 -12.797 -4.045 1.234 1.00 20.00 C ATOM 804 C GLU A 44 -11.790 -2.932 1.489 1.00 20.00 C ATOM 805 O GLU A 44 -11.995 -2.063 2.340 1.00 20.00 O ATOM 806 CB GLU A 44 -12.325 -5.351 1.883 1.00 20.00 C ATOM 807 CG GLU A 44 -12.085 -5.247 3.379 1.00 20.00 C ATOM 808 CD GLU A 44 -11.659 -6.565 3.989 1.00 20.00 C ATOM 809 OE1 GLU A 44 -12.469 -7.519 3.981 1.00 20.00 O ATOM 810 OE2 GLU A 44 -10.517 -6.655 4.487 1.00 20.00 O ATOM 0 H GLU A 44 -12.598 -5.125 -0.543 1.00 20.00 H new ATOM 0 HA GLU A 44 -13.753 -3.761 1.674 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.069 -6.126 1.698 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -11.403 -5.672 1.399 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -11.318 -4.497 3.570 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -12.996 -4.902 3.867 1.00 20.00 H new ATOM 817 N VAL A 45 -10.719 -2.953 0.713 1.00 20.00 N ATOM 818 CA VAL A 45 -9.654 -1.974 0.838 1.00 20.00 C ATOM 819 C VAL A 45 -10.140 -0.596 0.409 1.00 20.00 C ATOM 820 O VAL A 45 -9.760 0.412 0.996 1.00 20.00 O ATOM 821 CB VAL A 45 -8.426 -2.374 -0.007 1.00 20.00 C ATOM 822 CG1 VAL A 45 -7.298 -1.366 0.157 1.00 20.00 C ATOM 823 CG2 VAL A 45 -7.956 -3.772 0.367 1.00 20.00 C ATOM 0 H VAL A 45 -10.564 -3.647 -0.019 1.00 20.00 H new ATOM 0 HA VAL A 45 -9.360 -1.941 1.887 1.00 20.00 H new ATOM 0 HB VAL A 45 -8.722 -2.377 -1.056 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -6.445 -1.672 -0.449 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -7.639 -0.383 -0.167 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -7.001 -1.320 1.205 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -7.089 -4.039 -0.238 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -7.683 -3.794 1.422 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -8.759 -4.486 0.185 1.00 20.00 H new ATOM 833 N GLU A 46 -11.001 -0.567 -0.604 1.00 20.00 N ATOM 834 CA GLU A 46 -11.530 0.691 -1.135 1.00 20.00 C ATOM 835 C GLU A 46 -12.231 1.507 -0.056 1.00 20.00 C ATOM 836 O GLU A 46 -12.201 2.734 -0.087 1.00 20.00 O ATOM 837 CB GLU A 46 -12.504 0.450 -2.291 1.00 20.00 C ATOM 838 CG GLU A 46 -11.928 -0.396 -3.410 1.00 20.00 C ATOM 839 CD GLU A 46 -12.808 -0.419 -4.638 1.00 20.00 C ATOM 840 OE1 GLU A 46 -13.900 -1.021 -4.591 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.404 0.162 -5.667 1.00 20.00 O ATOM 0 H GLU A 46 -11.350 -1.401 -1.076 1.00 20.00 H new ATOM 0 HA GLU A 46 -10.672 1.253 -1.504 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -13.399 -0.037 -1.904 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.815 1.412 -2.698 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -10.944 -0.012 -3.680 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -11.785 -1.415 -3.052 1.00 20.00 H new ATOM 848 N ARG A 47 -12.856 0.831 0.899 1.00 20.00 N ATOM 849 CA ARG A 47 -13.556 1.522 1.977 1.00 20.00 C ATOM 850 C ARG A 47 -12.567 2.181 2.933 1.00 20.00 C ATOM 851 O ARG A 47 -12.883 3.173 3.587 1.00 20.00 O ATOM 852 CB ARG A 47 -14.473 0.562 2.737 1.00 20.00 C ATOM 853 CG ARG A 47 -15.653 0.067 1.912 1.00 20.00 C ATOM 854 CD ARG A 47 -16.647 -0.707 2.766 1.00 20.00 C ATOM 855 NE ARG A 47 -16.091 -1.963 3.267 1.00 20.00 N ATOM 856 CZ ARG A 47 -16.009 -2.282 4.560 1.00 20.00 C ATOM 857 NH1 ARG A 47 -16.438 -1.435 5.493 1.00 20.00 N ATOM 858 NH2 ARG A 47 -15.506 -3.455 4.923 1.00 20.00 N ATOM 0 H ARG A 47 -12.894 -0.187 0.951 1.00 20.00 H new ATOM 0 HA ARG A 47 -14.172 2.301 1.529 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -13.890 -0.295 3.073 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -14.849 1.062 3.630 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.155 0.916 1.448 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -15.292 -0.570 1.105 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -16.957 -0.089 3.608 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -17.541 -0.917 2.178 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.744 -2.638 2.585 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -16.833 -0.535 5.222 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -16.372 -1.686 6.479 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.182 -4.113 4.214 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -15.443 -3.699 5.911 1.00 20.00 H new ATOM 872 N ARG A 48 -11.363 1.635 2.995 1.00 20.00 N ATOM 873 CA ARG A 48 -10.309 2.203 3.825 1.00 20.00 C ATOM 874 C ARG A 48 -9.506 3.220 3.029 1.00 20.00 C ATOM 875 O ARG A 48 -9.159 4.294 3.524 1.00 20.00 O ATOM 876 CB ARG A 48 -9.386 1.101 4.347 1.00 20.00 C ATOM 877 CG ARG A 48 -10.042 0.153 5.344 1.00 20.00 C ATOM 878 CD ARG A 48 -10.365 0.842 6.665 1.00 20.00 C ATOM 879 NE ARG A 48 -11.482 1.784 6.557 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.400 3.083 6.845 1.00 20.00 C ATOM 881 NH1 ARG A 48 -10.245 3.618 7.218 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.478 3.847 6.747 1.00 20.00 N ATOM 0 H ARG A 48 -11.090 0.798 2.480 1.00 20.00 H new ATOM 0 HA ARG A 48 -10.771 2.703 4.676 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -9.017 0.521 3.501 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -8.519 1.563 4.819 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -10.958 -0.249 4.912 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -9.379 -0.692 5.529 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -10.604 0.087 7.414 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -9.481 1.373 7.018 1.00 20.00 H new ATOM 0 HE ARG A 48 -12.382 1.422 6.241 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -9.411 3.035 7.286 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -10.191 4.613 7.437 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -13.366 3.441 6.452 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -12.420 4.841 6.966 1.00 20.00 H new ATOM 896 N MET A 49 -9.235 2.873 1.781 1.00 20.00 N ATOM 897 CA MET A 49 -8.474 3.719 0.875 1.00 20.00 C ATOM 898 C MET A 49 -9.261 4.983 0.543 1.00 20.00 C ATOM 899 O MET A 49 -8.699 5.979 0.084 1.00 20.00 O ATOM 900 CB MET A 49 -8.156 2.939 -0.401 1.00 20.00 C ATOM 901 CG MET A 49 -7.033 3.540 -1.226 1.00 20.00 C ATOM 902 SD MET A 49 -5.472 3.622 -0.323 1.00 20.00 S ATOM 903 CE MET A 49 -5.166 1.884 -0.007 1.00 20.00 C ATOM 0 H MET A 49 -9.538 1.992 1.366 1.00 20.00 H new ATOM 0 HA MET A 49 -7.542 4.014 1.357 1.00 20.00 H new ATOM 0 HB2 MET A 49 -7.890 1.917 -0.133 1.00 20.00 H new ATOM 0 HB3 MET A 49 -9.055 2.884 -1.015 1.00 20.00 H new ATOM 0 HG2 MET A 49 -6.894 2.947 -2.130 1.00 20.00 H new ATOM 0 HG3 MET A 49 -7.318 4.543 -1.543 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.120 1.742 0.265 1.00 20.00 H new ATOM 0 HE2 MET A 49 -5.803 1.545 0.810 1.00 20.00 H new ATOM 0 HE3 MET A 49 -5.389 1.306 -0.904 1.00 20.00 H new ATOM 913 N ALA A 50 -10.570 4.919 0.780 1.00 20.00 N ATOM 914 CA ALA A 50 -11.471 6.047 0.574 1.00 20.00 C ATOM 915 C ALA A 50 -10.956 7.311 1.248 1.00 20.00 C ATOM 916 O ALA A 50 -11.069 8.403 0.697 1.00 20.00 O ATOM 917 CB ALA A 50 -12.855 5.711 1.101 1.00 20.00 C ATOM 0 H ALA A 50 -11.036 4.078 1.122 1.00 20.00 H new ATOM 0 HA ALA A 50 -11.523 6.236 -0.498 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -13.521 6.560 0.943 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.244 4.841 0.572 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.795 5.491 2.167 1.00 20.00 H new ATOM 923 N GLU A 51 -10.377 7.152 2.435 1.00 20.00 N ATOM 924 CA GLU A 51 -9.851 8.286 3.184 1.00 20.00 C ATOM 925 C GLU A 51 -8.738 8.984 2.411 1.00 20.00 C ATOM 926 O GLU A 51 -8.638 10.211 2.422 1.00 20.00 O ATOM 927 CB GLU A 51 -9.335 7.848 4.556 1.00 20.00 C ATOM 928 CG GLU A 51 -10.427 7.404 5.515 1.00 20.00 C ATOM 929 CD GLU A 51 -9.931 7.293 6.943 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.465 8.311 7.494 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.002 6.191 7.521 1.00 20.00 O ATOM 0 H GLU A 51 -10.261 6.250 2.897 1.00 20.00 H new ATOM 0 HA GLU A 51 -10.671 8.990 3.328 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -8.628 7.029 4.422 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -8.784 8.674 5.006 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -11.253 8.114 5.474 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -10.819 6.439 5.193 1.00 20.00 H new ATOM 938 N ARG A 52 -7.915 8.199 1.727 1.00 20.00 N ATOM 939 CA ARG A 52 -6.816 8.751 0.949 1.00 20.00 C ATOM 940 C ARG A 52 -7.339 9.370 -0.340 1.00 20.00 C ATOM 941 O ARG A 52 -6.873 10.432 -0.760 1.00 20.00 O ATOM 942 CB ARG A 52 -5.770 7.677 0.631 1.00 20.00 C ATOM 943 CG ARG A 52 -5.034 7.144 1.854 1.00 20.00 C ATOM 944 CD ARG A 52 -3.944 6.160 1.459 1.00 20.00 C ATOM 945 NE ARG A 52 -2.905 6.786 0.641 1.00 20.00 N ATOM 946 CZ ARG A 52 -2.442 6.277 -0.500 1.00 20.00 C ATOM 947 NH1 ARG A 52 -2.944 5.150 -0.985 1.00 20.00 N ATOM 948 NH2 ARG A 52 -1.478 6.902 -1.162 1.00 20.00 N ATOM 0 H ARG A 52 -7.988 7.182 1.696 1.00 20.00 H new ATOM 0 HA ARG A 52 -6.337 9.526 1.547 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -6.261 6.846 0.125 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -5.042 8.090 -0.067 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -4.594 7.974 2.407 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -5.743 6.656 2.523 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -3.493 5.740 2.358 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -4.388 5.331 0.908 1.00 20.00 H new ATOM 0 HE ARG A 52 -2.510 7.669 0.965 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.690 4.667 -0.484 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -2.585 4.766 -1.859 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -1.091 7.773 -0.798 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -1.124 6.512 -2.035 1.00 20.00 H new ATOM 962 N PHE A 53 -8.317 8.711 -0.956 1.00 20.00 N ATOM 963 CA PHE A 53 -8.940 9.231 -2.164 1.00 20.00 C ATOM 964 C PHE A 53 -9.624 10.561 -1.877 1.00 20.00 C ATOM 965 O PHE A 53 -9.479 11.514 -2.635 1.00 20.00 O ATOM 966 CB PHE A 53 -9.965 8.244 -2.735 1.00 20.00 C ATOM 967 CG PHE A 53 -9.375 6.976 -3.292 1.00 20.00 C ATOM 968 CD1 PHE A 53 -8.202 6.999 -4.032 1.00 20.00 C ATOM 969 CD2 PHE A 53 -10.009 5.759 -3.088 1.00 20.00 C ATOM 970 CE1 PHE A 53 -7.674 5.834 -4.556 1.00 20.00 C ATOM 971 CE2 PHE A 53 -9.485 4.592 -3.608 1.00 20.00 C ATOM 972 CZ PHE A 53 -8.315 4.629 -4.343 1.00 20.00 C ATOM 0 H PHE A 53 -8.693 7.818 -0.637 1.00 20.00 H new ATOM 0 HA PHE A 53 -8.152 9.377 -2.903 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -10.675 7.984 -1.950 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -10.529 8.743 -3.523 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -7.695 7.938 -4.201 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -10.924 5.724 -2.515 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -6.761 5.866 -5.132 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -9.989 3.651 -3.441 1.00 20.00 H new ATOM 0 HZ PHE A 53 -7.903 3.718 -4.750 1.00 20.00 H new ATOM 982 N ALA A 54 -10.348 10.619 -0.767 1.00 20.00 N ATOM 983 CA ALA A 54 -11.063 11.823 -0.374 1.00 20.00 C ATOM 984 C ALA A 54 -10.106 12.989 -0.145 1.00 20.00 C ATOM 985 O ALA A 54 -10.371 14.112 -0.575 1.00 20.00 O ATOM 986 CB ALA A 54 -11.886 11.559 0.874 1.00 20.00 C ATOM 0 H ALA A 54 -10.455 9.839 -0.119 1.00 20.00 H new ATOM 0 HA ALA A 54 -11.732 12.099 -1.189 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -12.417 12.467 1.159 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -12.606 10.766 0.674 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -11.227 11.254 1.687 1.00 20.00 H new ATOM 992 N LYS A 55 -8.987 12.719 0.522 1.00 20.00 N ATOM 993 CA LYS A 55 -7.996 13.756 0.802 1.00 20.00 C ATOM 994 C LYS A 55 -7.316 14.229 -0.477 1.00 20.00 C ATOM 995 O LYS A 55 -6.961 15.399 -0.604 1.00 20.00 O ATOM 996 CB LYS A 55 -6.943 13.257 1.799 1.00 20.00 C ATOM 997 CG LYS A 55 -7.475 13.057 3.215 1.00 20.00 C ATOM 998 CD LYS A 55 -7.981 14.358 3.829 1.00 20.00 C ATOM 999 CE LYS A 55 -6.867 15.383 4.003 1.00 20.00 C ATOM 1000 NZ LYS A 55 -5.839 14.932 4.979 1.00 20.00 N ATOM 0 H LYS A 55 -8.744 11.795 0.878 1.00 20.00 H new ATOM 0 HA LYS A 55 -8.525 14.599 1.245 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -6.535 12.313 1.438 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -6.119 13.970 1.829 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -8.284 12.327 3.198 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -6.686 12.644 3.843 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -8.763 14.777 3.195 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -8.434 14.148 4.798 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -6.394 15.570 3.039 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -7.294 16.328 4.338 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -5.196 15.720 5.195 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -6.305 14.616 5.853 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -5.296 14.144 4.572 1.00 20.00 H new ATOM 1014 N MET A 56 -7.141 13.318 -1.422 1.00 20.00 N ATOM 1015 CA MET A 56 -6.525 13.647 -2.703 1.00 20.00 C ATOM 1016 C MET A 56 -7.519 14.388 -3.594 1.00 20.00 C ATOM 1017 O MET A 56 -7.165 15.342 -4.292 1.00 20.00 O ATOM 1018 CB MET A 56 -6.041 12.366 -3.394 1.00 20.00 C ATOM 1019 CG MET A 56 -5.427 12.589 -4.769 1.00 20.00 C ATOM 1020 SD MET A 56 -4.922 11.046 -5.557 1.00 20.00 S ATOM 1021 CE MET A 56 -6.493 10.193 -5.684 1.00 20.00 C ATOM 0 H MET A 56 -7.417 12.341 -1.327 1.00 20.00 H new ATOM 0 HA MET A 56 -5.668 14.297 -2.527 1.00 20.00 H new ATOM 0 HB2 MET A 56 -5.305 11.879 -2.755 1.00 20.00 H new ATOM 0 HB3 MET A 56 -6.882 11.680 -3.492 1.00 20.00 H new ATOM 0 HG2 MET A 56 -6.148 13.100 -5.407 1.00 20.00 H new ATOM 0 HG3 MET A 56 -4.562 13.246 -4.675 1.00 20.00 H new ATOM 0 HE1 MET A 56 -6.413 9.390 -6.417 1.00 20.00 H new ATOM 0 HE2 MET A 56 -6.759 9.774 -4.714 1.00 20.00 H new ATOM 0 HE3 MET A 56 -7.264 10.896 -5.999 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.769 13.951 -3.538 1.00 20.00 N ATOM 1032 CA ARG A 57 -9.843 14.542 -4.323 1.00 20.00 C ATOM 1033 C ARG A 57 -10.209 15.918 -3.771 1.00 20.00 C ATOM 1034 O ARG A 57 -10.799 16.749 -4.458 1.00 20.00 O ATOM 1035 CB ARG A 57 -11.056 13.607 -4.303 1.00 20.00 C ATOM 1036 CG ARG A 57 -12.188 14.004 -5.234 1.00 20.00 C ATOM 1037 CD ARG A 57 -13.272 12.940 -5.231 1.00 20.00 C ATOM 1038 NE ARG A 57 -14.404 13.283 -6.087 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.456 12.488 -6.272 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.507 11.302 -5.676 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -16.456 12.877 -7.054 1.00 20.00 N ATOM 0 H ARG A 57 -9.067 13.176 -2.946 1.00 20.00 H new ATOM 0 HA ARG A 57 -9.512 14.672 -5.353 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -10.725 12.602 -4.565 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -11.443 13.560 -3.285 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -12.607 14.960 -4.921 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -11.805 14.140 -6.246 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -12.846 11.993 -5.562 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -13.626 12.791 -4.211 1.00 20.00 H new ATOM 0 HE ARG A 57 -14.388 14.181 -6.570 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -14.740 10.999 -5.076 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -16.313 10.694 -5.818 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -16.419 13.786 -7.514 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -17.261 12.266 -7.194 1.00 20.00 H new ATOM 1055 N LYS A 58 -9.831 16.123 -2.505 1.00 20.00 N ATOM 1056 CA LYS A 58 -9.934 17.417 -1.829 1.00 20.00 C ATOM 1057 C LYS A 58 -11.365 17.927 -1.778 1.00 20.00 C ATOM 1058 O LYS A 58 -11.606 19.111 -2.010 1.00 20.00 O ATOM 1059 CB LYS A 58 -9.027 18.450 -2.503 1.00 20.00 C ATOM 1060 CG LYS A 58 -7.544 18.199 -2.268 1.00 20.00 C ATOM 1061 CD LYS A 58 -6.679 19.269 -2.917 1.00 20.00 C ATOM 1062 CE LYS A 58 -6.744 19.207 -4.436 1.00 20.00 C ATOM 1063 NZ LYS A 58 -6.237 17.911 -4.961 1.00 20.00 N ATOM 0 H LYS A 58 -9.441 15.387 -1.916 1.00 20.00 H new ATOM 0 HA LYS A 58 -9.604 17.268 -0.801 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -9.222 18.449 -3.575 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -9.283 19.443 -2.133 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -7.345 18.172 -1.197 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -7.273 17.222 -2.667 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -7.005 20.253 -2.580 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -5.646 19.147 -2.593 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -7.774 19.352 -4.761 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -6.158 20.024 -4.858 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -6.106 17.981 -5.990 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -5.327 17.686 -4.511 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -6.923 17.158 -4.749 1.00 20.00 H new ATOM 1077 N GLU A 59 -12.293 17.023 -1.456 1.00 20.00 N ATOM 1078 CA GLU A 59 -13.717 17.348 -1.325 1.00 20.00 C ATOM 1079 C GLU A 59 -14.377 17.548 -2.688 1.00 20.00 C ATOM 1080 O GLU A 59 -14.058 18.484 -3.423 1.00 20.00 O ATOM 1081 CB GLU A 59 -13.927 18.586 -0.451 1.00 20.00 C ATOM 1082 CG GLU A 59 -13.596 18.371 1.013 1.00 20.00 C ATOM 1083 CD GLU A 59 -13.793 19.627 1.832 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -14.957 20.031 2.037 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -12.791 20.221 2.273 1.00 20.00 O ATOM 0 H GLU A 59 -12.078 16.042 -1.278 1.00 20.00 H new ATOM 0 HA GLU A 59 -14.193 16.497 -0.839 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -13.311 19.399 -0.836 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -14.966 18.905 -0.535 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -14.225 17.576 1.413 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -12.562 18.037 1.105 1.00 20.00 H new ATOM 1092 N ARG A 60 -15.305 16.657 -3.014 1.00 20.00 N ATOM 1093 CA ARG A 60 -16.033 16.716 -4.276 1.00 20.00 C ATOM 1094 C ARG A 60 -16.992 17.904 -4.306 1.00 20.00 C ATOM 1095 O ARG A 60 -17.333 18.413 -5.373 1.00 20.00 O ATOM 1096 CB ARG A 60 -16.807 15.413 -4.506 1.00 20.00 C ATOM 1097 CG ARG A 60 -17.795 15.080 -3.395 1.00 20.00 C ATOM 1098 CD ARG A 60 -18.575 13.809 -3.692 1.00 20.00 C ATOM 1099 NE ARG A 60 -19.396 13.937 -4.895 1.00 20.00 N ATOM 1100 CZ ARG A 60 -20.465 13.184 -5.158 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -20.867 12.262 -4.291 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -21.135 13.362 -6.288 1.00 20.00 N ATOM 0 H ARG A 60 -15.574 15.877 -2.415 1.00 20.00 H new ATOM 0 HA ARG A 60 -15.304 16.845 -5.076 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -17.347 15.484 -5.450 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -16.097 14.592 -4.606 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -17.258 14.965 -2.454 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -18.489 15.910 -3.266 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -17.880 12.978 -3.814 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -19.213 13.569 -2.842 1.00 20.00 H new ATOM 0 HE ARG A 60 -19.134 14.648 -5.577 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -20.357 12.126 -3.418 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -21.685 11.689 -4.498 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -20.833 14.073 -6.954 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -21.953 12.788 -6.492 1.00 20.00 H new ATOM 1116 N SER A 61 -17.421 18.345 -3.133 1.00 20.00 N ATOM 1117 CA SER A 61 -18.339 19.470 -3.040 1.00 20.00 C ATOM 1118 C SER A 61 -17.734 20.594 -2.202 1.00 20.00 C ATOM 1119 O SER A 61 -18.421 21.234 -1.403 1.00 20.00 O ATOM 1120 CB SER A 61 -19.688 19.014 -2.466 1.00 20.00 C ATOM 1121 OG SER A 61 -19.536 18.327 -1.230 1.00 20.00 O ATOM 0 H SER A 61 -17.150 17.943 -2.236 1.00 20.00 H new ATOM 0 HA SER A 61 -18.512 19.860 -4.043 1.00 20.00 H new ATOM 0 HB2 SER A 61 -20.332 19.881 -2.322 1.00 20.00 H new ATOM 0 HB3 SER A 61 -20.186 18.363 -3.184 1.00 20.00 H new ATOM 0 HG SER A 61 -20.416 18.055 -0.897 1.00 20.00 H new ATOM 1127 N LYS A 62 -16.441 20.829 -2.405 1.00 20.00 N ATOM 1128 CA LYS A 62 -15.705 21.848 -1.667 1.00 20.00 C ATOM 1129 C LYS A 62 -16.293 23.237 -1.901 1.00 20.00 C ATOM 1130 O LYS A 62 -16.600 23.610 -3.037 1.00 20.00 O ATOM 1131 CB LYS A 62 -14.238 21.835 -2.095 1.00 20.00 C ATOM 1132 CG LYS A 62 -13.364 22.804 -1.316 1.00 20.00 C ATOM 1133 CD LYS A 62 -11.924 22.759 -1.794 1.00 20.00 C ATOM 1134 CE LYS A 62 -11.050 23.747 -1.035 1.00 20.00 C ATOM 1135 NZ LYS A 62 -11.007 23.449 0.420 1.00 20.00 N ATOM 0 H LYS A 62 -15.876 20.319 -3.084 1.00 20.00 H new ATOM 0 HA LYS A 62 -15.784 21.619 -0.604 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -13.843 20.826 -1.975 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -14.176 22.077 -3.156 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -13.754 23.816 -1.425 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -13.404 22.560 -0.254 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -11.529 21.751 -1.667 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -11.887 22.984 -2.860 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -10.038 23.722 -1.440 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -11.429 24.758 -1.187 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -10.252 24.008 0.867 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -11.921 23.694 0.852 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -10.817 22.436 0.561 1.00 20.00 H new ATOM 1149 N GLN A 63 -16.459 23.994 -0.823 1.00 20.00 N ATOM 1150 CA GLN A 63 -16.930 25.365 -0.922 1.00 20.00 C ATOM 1151 C GLN A 63 -15.760 26.294 -1.227 1.00 20.00 C ATOM 1152 O GLN A 63 -15.413 26.443 -2.415 1.00 20.00 O ATOM 1153 CB GLN A 63 -17.616 25.800 0.374 1.00 20.00 C ATOM 1154 CG GLN A 63 -18.857 24.996 0.723 1.00 20.00 C ATOM 1155 CD GLN A 63 -19.530 25.486 1.992 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -19.480 26.671 2.324 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -20.163 24.580 2.715 1.00 20.00 N ATOM 1158 OXT GLN A 63 -15.177 26.856 -0.277 1.00 20.00 O ATOM 0 H GLN A 63 -16.274 23.679 0.129 1.00 20.00 H new ATOM 0 HA GLN A 63 -17.658 25.421 -1.732 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -16.902 25.720 1.194 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -17.890 26.852 0.291 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -19.565 25.050 -0.104 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -18.585 23.947 0.842 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -20.184 23.607 2.409 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -20.631 24.853 3.579 1.00 20.00 H new TER 1167 GLN A 63