USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 21 THR OG1 : rot 180:sc= -0.118 USER MOD Set 1.2: A 49 MET CE :methyl 169:sc= -0.562 (180deg=-0.649) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.19) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.5!) USER MOD Single : A 22 CYS SG : rot 180:sc= -2.53 USER MOD Single : A 25 HIS : no HD1:sc= -1.39! C(o=-1.4!,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -1.27 (180deg=-3.38!) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0946 (180deg=-0.576) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -4.22! K(o=-4.2!,f=-3.1) USER MOD Single : A 66 MET CE :methyl -140:sc= -0.494 (180deg=-2.4!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.031 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -179:sc= -2.72! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 32:sc= 0.347 USER MOD Single : A 105 LYS NZ :NH3+ -114:sc= -1.09 (180deg=-1.65) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.161 -31.825 59.957 1.00 0.00 N ATOM 11 CA VAL A 2 -51.891 -32.796 61.071 1.00 0.00 C ATOM 12 C VAL A 2 -52.723 -34.040 60.790 1.00 0.00 C ATOM 13 O VAL A 2 -53.778 -33.961 60.191 1.00 0.00 O ATOM 14 CB VAL A 2 -52.320 -32.175 62.415 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.830 -31.852 62.403 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.049 -33.178 63.559 1.00 0.00 C ATOM 0 HA VAL A 2 -50.830 -33.041 61.128 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.750 -31.258 62.567 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.116 -31.414 63.359 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.044 -31.145 61.602 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.397 -32.769 62.239 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.353 -32.738 64.509 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.617 -34.091 63.384 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -50.985 -33.413 63.592 1.00 0.00 H new ATOM 26 N GLN A 3 -52.238 -35.171 61.225 1.00 0.00 N ATOM 27 CA GLN A 3 -52.974 -36.457 61.005 1.00 0.00 C ATOM 28 C GLN A 3 -53.236 -37.095 62.362 1.00 0.00 C ATOM 29 O GLN A 3 -52.524 -36.857 63.317 1.00 0.00 O ATOM 30 CB GLN A 3 -52.115 -37.382 60.150 1.00 0.00 C ATOM 31 CG GLN A 3 -51.912 -36.732 58.781 1.00 0.00 C ATOM 32 CD GLN A 3 -50.999 -37.629 57.945 1.00 0.00 C ATOM 33 OE1 GLN A 3 -49.848 -37.841 58.274 1.00 0.00 O ATOM 34 NE2 GLN A 3 -51.471 -38.177 56.860 1.00 0.00 N ATOM 0 H GLN A 3 -51.356 -35.264 61.728 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.920 -36.278 60.493 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.153 -37.558 60.632 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -52.598 -38.353 60.040 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -52.871 -36.597 58.281 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -51.469 -35.742 58.894 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -52.436 -38.003 56.579 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -50.875 -38.780 56.292 1.00 0.00 H new ATOM 43 N VAL A 4 -54.264 -37.900 62.409 1.00 0.00 N ATOM 44 CA VAL A 4 -54.653 -38.606 63.672 1.00 0.00 C ATOM 45 C VAL A 4 -54.751 -40.104 63.382 1.00 0.00 C ATOM 46 O VAL A 4 -55.654 -40.554 62.706 1.00 0.00 O ATOM 47 CB VAL A 4 -56.012 -38.083 64.141 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.396 -38.767 65.459 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.895 -36.585 64.388 1.00 0.00 C ATOM 0 H VAL A 4 -54.865 -38.104 61.610 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.911 -38.427 64.450 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.769 -38.290 63.384 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.364 -38.395 65.794 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.455 -39.845 65.306 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.642 -38.549 66.215 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.856 -36.195 64.723 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -55.141 -36.400 65.154 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.603 -36.086 63.464 1.00 0.00 H new ATOM 59 N GLU A 5 -53.812 -40.844 63.904 1.00 0.00 N ATOM 60 CA GLU A 5 -53.784 -42.329 63.703 1.00 0.00 C ATOM 61 C GLU A 5 -54.126 -42.934 65.064 1.00 0.00 C ATOM 62 O GLU A 5 -53.273 -43.099 65.912 1.00 0.00 O ATOM 63 CB GLU A 5 -52.384 -42.748 63.261 1.00 0.00 C ATOM 64 CG GLU A 5 -52.364 -44.267 63.054 1.00 0.00 C ATOM 65 CD GLU A 5 -50.958 -44.708 62.631 1.00 0.00 C ATOM 66 OE1 GLU A 5 -50.113 -43.834 62.532 1.00 0.00 O ATOM 67 OE2 GLU A 5 -50.812 -45.903 62.431 1.00 0.00 O ATOM 0 H GLU A 5 -53.047 -40.480 64.472 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.486 -42.662 62.938 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -52.112 -42.238 62.337 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -51.649 -42.460 64.013 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.654 -44.774 63.974 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -53.090 -44.550 62.292 1.00 0.00 H new ATOM 74 N THR A 6 -55.381 -43.252 65.234 1.00 0.00 N ATOM 75 CA THR A 6 -55.802 -43.838 66.534 1.00 0.00 C ATOM 76 C THR A 6 -55.274 -45.254 66.752 1.00 0.00 C ATOM 77 O THR A 6 -54.961 -45.978 65.828 1.00 0.00 O ATOM 78 CB THR A 6 -57.333 -43.832 66.580 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.675 -42.465 66.407 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.852 -44.163 67.986 1.00 0.00 C ATOM 0 H THR A 6 -56.120 -43.133 64.541 1.00 0.00 H new ATOM 0 HA THR A 6 -55.378 -43.233 67.336 1.00 0.00 H new ATOM 0 HB THR A 6 -57.733 -44.539 65.853 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.650 -42.367 66.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.942 -44.150 67.984 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.501 -45.152 68.280 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.482 -43.422 68.694 1.00 0.00 H new ATOM 88 N ILE A 7 -55.200 -45.591 68.012 1.00 0.00 N ATOM 89 CA ILE A 7 -54.711 -46.930 68.462 1.00 0.00 C ATOM 90 C ILE A 7 -55.822 -47.564 69.296 1.00 0.00 C ATOM 91 O ILE A 7 -56.264 -48.663 69.027 1.00 0.00 O ATOM 92 CB ILE A 7 -53.447 -46.746 69.321 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.384 -46.020 68.463 1.00 0.00 C ATOM 94 CG2 ILE A 7 -52.932 -48.151 69.712 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.246 -45.479 69.342 1.00 0.00 C ATOM 0 H ILE A 7 -55.468 -44.971 68.776 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.464 -47.565 67.612 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.655 -46.163 70.218 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -51.980 -46.707 67.720 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.850 -45.199 67.918 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.035 -48.053 70.323 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.701 -48.676 70.279 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.697 -48.716 68.810 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.511 -44.973 68.716 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.651 -44.774 70.068 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.767 -46.306 69.867 1.00 0.00 H new ATOM 107 N SER A 8 -56.251 -46.841 70.301 1.00 0.00 N ATOM 108 CA SER A 8 -57.342 -47.342 71.211 1.00 0.00 C ATOM 109 C SER A 8 -58.521 -46.363 71.270 1.00 0.00 C ATOM 110 O SER A 8 -58.594 -45.572 72.188 1.00 0.00 O ATOM 111 CB SER A 8 -56.780 -47.525 72.619 1.00 0.00 C ATOM 112 OG SER A 8 -55.712 -48.444 72.439 1.00 0.00 O ATOM 0 H SER A 8 -55.892 -45.916 70.536 1.00 0.00 H new ATOM 0 HA SER A 8 -57.703 -48.291 70.814 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.430 -46.581 73.036 1.00 0.00 H new ATOM 0 HB3 SER A 8 -57.533 -47.916 73.303 1.00 0.00 H new ATOM 0 HG SER A 8 -55.285 -48.622 73.303 1.00 0.00 H new ATOM 118 N PRO A 9 -59.411 -46.420 70.308 1.00 0.00 N ATOM 119 CA PRO A 9 -60.599 -45.534 70.270 1.00 0.00 C ATOM 120 C PRO A 9 -61.184 -45.248 71.660 1.00 0.00 C ATOM 121 O PRO A 9 -60.893 -45.930 72.622 1.00 0.00 O ATOM 122 CB PRO A 9 -61.536 -46.274 69.325 1.00 0.00 C ATOM 123 CG PRO A 9 -60.539 -46.827 68.276 1.00 0.00 C ATOM 124 CD PRO A 9 -59.381 -47.356 69.151 1.00 0.00 C ATOM 0 HA PRO A 9 -60.380 -44.525 69.921 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.084 -47.069 69.830 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.276 -45.611 68.878 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -60.984 -47.618 67.672 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.204 -46.051 67.588 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.542 -48.389 69.459 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.426 -47.325 68.626 1.00 0.00 H new ATOM 132 N GLY A 10 -62.007 -44.234 71.721 1.00 0.00 N ATOM 133 CA GLY A 10 -62.668 -43.827 73.005 1.00 0.00 C ATOM 134 C GLY A 10 -64.163 -43.999 72.748 1.00 0.00 C ATOM 135 O GLY A 10 -64.531 -44.525 71.717 1.00 0.00 O ATOM 0 H GLY A 10 -62.256 -43.656 70.919 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.336 -44.450 73.835 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.428 -42.796 73.264 1.00 0.00 H new ATOM 139 N ASP A 11 -65.007 -43.575 73.652 1.00 0.00 N ATOM 140 CA ASP A 11 -66.464 -43.741 73.407 1.00 0.00 C ATOM 141 C ASP A 11 -66.837 -43.313 71.981 1.00 0.00 C ATOM 142 O ASP A 11 -67.366 -44.082 71.203 1.00 0.00 O ATOM 143 CB ASP A 11 -67.213 -42.904 74.442 1.00 0.00 C ATOM 144 CG ASP A 11 -66.704 -41.466 74.385 1.00 0.00 C ATOM 145 OD1 ASP A 11 -65.506 -41.307 74.554 1.00 0.00 O ATOM 146 OD2 ASP A 11 -67.548 -40.614 74.176 1.00 0.00 O ATOM 0 H ASP A 11 -64.754 -43.129 74.534 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.740 -44.791 73.504 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -68.284 -42.932 74.244 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -67.063 -43.317 75.440 1.00 0.00 H new ATOM 151 N GLY A 12 -66.538 -42.075 71.686 1.00 0.00 N ATOM 152 CA GLY A 12 -66.829 -41.493 70.340 1.00 0.00 C ATOM 153 C GLY A 12 -68.009 -40.548 70.503 1.00 0.00 C ATOM 154 O GLY A 12 -68.765 -40.307 69.584 1.00 0.00 O ATOM 0 H GLY A 12 -66.094 -41.427 72.337 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -65.960 -40.960 69.956 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.063 -42.280 69.623 1.00 0.00 H new ATOM 158 N ARG A 13 -68.128 -40.032 71.698 1.00 0.00 N ATOM 159 CA ARG A 13 -69.235 -39.085 72.038 1.00 0.00 C ATOM 160 C ARG A 13 -68.720 -37.847 72.772 1.00 0.00 C ATOM 161 O ARG A 13 -69.244 -36.770 72.568 1.00 0.00 O ATOM 162 CB ARG A 13 -70.257 -39.820 72.913 1.00 0.00 C ATOM 163 CG ARG A 13 -70.705 -41.084 72.171 1.00 0.00 C ATOM 164 CD ARG A 13 -71.691 -41.853 73.054 1.00 0.00 C ATOM 165 NE ARG A 13 -72.096 -43.097 72.319 1.00 0.00 N ATOM 166 CZ ARG A 13 -71.866 -44.288 72.811 1.00 0.00 C ATOM 167 NH1 ARG A 13 -70.678 -44.559 73.282 1.00 0.00 N ATOM 168 NH2 ARG A 13 -72.831 -45.167 72.816 1.00 0.00 N ATOM 0 H ARG A 13 -67.492 -40.231 72.470 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.697 -38.745 71.111 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.816 -40.081 73.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -71.113 -39.177 73.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.175 -40.819 71.224 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -69.843 -41.709 71.936 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -71.230 -42.107 74.009 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.564 -41.239 73.275 1.00 0.00 H new ATOM 0 HE ARG A 13 -72.561 -43.013 71.415 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -69.947 -43.848 73.263 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -70.481 -45.482 73.669 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -73.747 -44.921 72.440 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -72.669 -46.100 73.196 1.00 0.00 H new ATOM 182 N THR A 14 -67.715 -37.993 73.608 1.00 0.00 N ATOM 183 CA THR A 14 -67.182 -36.802 74.359 1.00 0.00 C ATOM 184 C THR A 14 -65.784 -36.396 73.909 1.00 0.00 C ATOM 185 O THR A 14 -64.915 -37.220 73.703 1.00 0.00 O ATOM 186 CB THR A 14 -67.113 -37.129 75.832 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.428 -37.539 76.178 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.866 -35.869 76.670 1.00 0.00 C ATOM 0 H THR A 14 -67.243 -38.876 73.803 1.00 0.00 H new ATOM 0 HA THR A 14 -67.862 -35.975 74.157 1.00 0.00 H new ATOM 0 HB THR A 14 -66.324 -37.859 76.012 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.459 -37.771 77.130 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.821 -36.137 77.726 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.922 -35.413 76.371 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.679 -35.160 76.510 1.00 0.00 H new ATOM 196 N PHE A 15 -65.616 -35.106 73.769 1.00 0.00 N ATOM 197 CA PHE A 15 -64.313 -34.507 73.343 1.00 0.00 C ATOM 198 C PHE A 15 -64.052 -33.366 74.331 1.00 0.00 C ATOM 199 O PHE A 15 -64.900 -33.111 75.161 1.00 0.00 O ATOM 200 CB PHE A 15 -64.465 -33.967 71.943 1.00 0.00 C ATOM 201 CG PHE A 15 -64.943 -35.107 71.055 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.284 -35.433 71.017 1.00 0.00 C ATOM 203 CD2 PHE A 15 -64.046 -35.815 70.288 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.729 -36.463 70.213 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.486 -36.846 69.483 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.827 -37.170 69.445 1.00 0.00 C ATOM 0 H PHE A 15 -66.352 -34.421 73.938 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.493 -35.226 73.341 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.180 -33.144 71.926 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.516 -33.572 71.580 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.989 -34.879 71.620 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -62.996 -35.563 70.316 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.779 -36.714 70.185 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.780 -37.400 68.882 1.00 0.00 H new ATOM 0 HZ PHE A 15 -66.170 -37.977 68.814 1.00 0.00 H new ATOM 216 N PRO A 16 -62.930 -32.693 74.258 1.00 0.00 N ATOM 217 CA PRO A 16 -62.802 -31.376 74.932 1.00 0.00 C ATOM 218 C PRO A 16 -63.635 -30.298 74.223 1.00 0.00 C ATOM 219 O PRO A 16 -63.698 -30.252 73.011 1.00 0.00 O ATOM 220 CB PRO A 16 -61.295 -31.069 74.904 1.00 0.00 C ATOM 221 CG PRO A 16 -60.644 -32.434 74.553 1.00 0.00 C ATOM 222 CD PRO A 16 -61.660 -33.093 73.593 1.00 0.00 C ATOM 0 HA PRO A 16 -63.186 -31.392 75.952 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.056 -30.309 74.160 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.945 -30.695 75.866 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.672 -32.303 74.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.484 -33.041 75.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.582 -32.710 72.575 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.541 -34.175 73.536 1.00 0.00 H new ATOM 230 N LYS A 17 -64.258 -29.450 75.004 1.00 0.00 N ATOM 231 CA LYS A 17 -65.096 -28.348 74.474 1.00 0.00 C ATOM 232 C LYS A 17 -64.564 -27.015 75.009 1.00 0.00 C ATOM 233 O LYS A 17 -63.723 -26.968 75.888 1.00 0.00 O ATOM 234 CB LYS A 17 -66.494 -28.576 74.954 1.00 0.00 C ATOM 235 CG LYS A 17 -67.110 -29.882 74.403 1.00 0.00 C ATOM 236 CD LYS A 17 -67.374 -29.781 72.889 1.00 0.00 C ATOM 237 CE LYS A 17 -68.212 -30.990 72.465 1.00 0.00 C ATOM 238 NZ LYS A 17 -68.494 -30.920 71.004 1.00 0.00 N ATOM 0 H LYS A 17 -64.213 -29.485 76.022 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.073 -28.321 73.385 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.499 -28.609 76.043 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -67.117 -27.732 74.658 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -66.437 -30.716 74.602 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -68.044 -30.094 74.924 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -67.899 -28.855 72.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -66.433 -29.760 72.340 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -67.680 -31.913 72.698 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -69.147 -31.010 73.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -69.063 -31.743 70.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -69.018 -30.047 70.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -67.597 -30.921 70.477 1.00 0.00 H new ATOM 252 N ARG A 18 -65.081 -25.950 74.460 1.00 0.00 N ATOM 253 CA ARG A 18 -64.647 -24.610 74.893 1.00 0.00 C ATOM 254 C ARG A 18 -65.169 -24.348 76.300 1.00 0.00 C ATOM 255 O ARG A 18 -66.350 -24.467 76.557 1.00 0.00 O ATOM 256 CB ARG A 18 -65.202 -23.559 73.936 1.00 0.00 C ATOM 257 CG ARG A 18 -64.661 -23.831 72.533 1.00 0.00 C ATOM 258 CD ARG A 18 -65.172 -22.729 71.604 1.00 0.00 C ATOM 259 NE ARG A 18 -64.666 -21.418 72.131 1.00 0.00 N ATOM 260 CZ ARG A 18 -65.485 -20.466 72.499 1.00 0.00 C ATOM 261 NH1 ARG A 18 -66.102 -19.775 71.579 1.00 0.00 N ATOM 262 NH2 ARG A 18 -65.659 -20.239 73.773 1.00 0.00 N ATOM 0 H ARG A 18 -65.789 -25.960 73.726 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.558 -24.557 74.890 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -66.292 -23.591 73.932 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -64.913 -22.561 74.264 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -63.571 -23.846 72.542 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -64.991 -24.809 72.181 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -64.820 -22.893 70.586 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -66.261 -22.733 71.569 1.00 0.00 H new ATOM 0 HE ARG A 18 -63.660 -21.265 72.204 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -65.942 -19.981 70.593 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -66.744 -19.029 71.846 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -65.160 -20.800 74.464 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -66.294 -19.501 74.077 1.00 0.00 H new ATOM 276 N GLY A 19 -64.280 -23.994 77.190 1.00 0.00 N ATOM 277 CA GLY A 19 -64.687 -23.715 78.604 1.00 0.00 C ATOM 278 C GLY A 19 -64.019 -24.732 79.525 1.00 0.00 C ATOM 279 O GLY A 19 -63.908 -24.512 80.716 1.00 0.00 O ATOM 0 H GLY A 19 -63.284 -23.885 77.000 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -64.396 -22.703 78.887 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.771 -23.774 78.702 1.00 0.00 H new ATOM 283 N GLN A 20 -63.580 -25.834 78.964 1.00 0.00 N ATOM 284 CA GLN A 20 -62.911 -26.895 79.793 1.00 0.00 C ATOM 285 C GLN A 20 -61.408 -26.956 79.514 1.00 0.00 C ATOM 286 O GLN A 20 -60.892 -26.293 78.639 1.00 0.00 O ATOM 287 CB GLN A 20 -63.534 -28.248 79.466 1.00 0.00 C ATOM 288 CG GLN A 20 -65.028 -28.195 79.782 1.00 0.00 C ATOM 289 CD GLN A 20 -65.637 -29.564 79.474 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.271 -30.565 80.058 1.00 0.00 O ATOM 291 NE2 GLN A 20 -66.568 -29.651 78.565 1.00 0.00 N ATOM 0 H GLN A 20 -63.655 -26.047 77.969 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.054 -26.649 80.845 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.380 -28.490 78.414 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -63.053 -29.035 80.048 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.185 -27.937 80.829 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.514 -27.422 79.187 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -66.879 -28.814 78.072 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -66.985 -30.556 78.347 1.00 0.00 H new ATOM 300 N THR A 21 -60.756 -27.775 80.292 1.00 0.00 N ATOM 301 CA THR A 21 -59.278 -27.980 80.182 1.00 0.00 C ATOM 302 C THR A 21 -59.035 -29.453 79.842 1.00 0.00 C ATOM 303 O THR A 21 -59.567 -30.321 80.499 1.00 0.00 O ATOM 304 CB THR A 21 -58.665 -27.609 81.531 1.00 0.00 C ATOM 305 OG1 THR A 21 -58.887 -26.209 81.634 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.147 -27.758 81.530 1.00 0.00 C ATOM 0 H THR A 21 -61.199 -28.330 81.024 1.00 0.00 H new ATOM 0 HA THR A 21 -58.825 -27.364 79.405 1.00 0.00 H new ATOM 0 HB THR A 21 -59.089 -28.234 82.317 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.522 -25.881 82.482 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.754 -27.484 82.509 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.883 -28.792 81.310 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.718 -27.105 80.771 1.00 0.00 H new ATOM 314 N CYS A 22 -58.243 -29.710 78.837 1.00 0.00 N ATOM 315 CA CYS A 22 -57.973 -31.132 78.462 1.00 0.00 C ATOM 316 C CYS A 22 -56.943 -31.653 79.454 1.00 0.00 C ATOM 317 O CYS A 22 -56.124 -30.903 79.943 1.00 0.00 O ATOM 318 CB CYS A 22 -57.384 -31.195 77.051 1.00 0.00 C ATOM 319 SG CYS A 22 -58.301 -30.424 75.696 1.00 0.00 S ATOM 0 H CYS A 22 -57.775 -29.008 78.264 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.889 -31.722 78.482 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.395 -30.738 77.084 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.241 -32.246 76.798 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.645 -30.579 74.585 1.00 0.00 H new ATOM 325 N VAL A 23 -57.028 -32.928 79.712 1.00 0.00 N ATOM 326 CA VAL A 23 -56.101 -33.625 80.658 1.00 0.00 C ATOM 327 C VAL A 23 -55.470 -34.709 79.789 1.00 0.00 C ATOM 328 O VAL A 23 -56.095 -35.721 79.535 1.00 0.00 O ATOM 329 CB VAL A 23 -56.941 -34.207 81.796 1.00 0.00 C ATOM 330 CG1 VAL A 23 -56.045 -34.828 82.854 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.732 -33.068 82.436 1.00 0.00 C ATOM 0 H VAL A 23 -57.727 -33.541 79.292 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.340 -32.995 81.119 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.605 -34.974 81.399 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.659 -35.237 83.656 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.453 -35.627 82.407 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -55.379 -34.066 83.259 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -58.339 -33.460 83.252 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -57.042 -32.319 82.825 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.380 -32.610 81.689 1.00 0.00 H new ATOM 341 N VAL A 24 -54.253 -34.470 79.348 1.00 0.00 N ATOM 342 CA VAL A 24 -53.524 -35.457 78.470 1.00 0.00 C ATOM 343 C VAL A 24 -52.172 -35.993 78.982 1.00 0.00 C ATOM 344 O VAL A 24 -51.451 -35.336 79.706 1.00 0.00 O ATOM 345 CB VAL A 24 -53.285 -34.781 77.094 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.581 -34.127 76.608 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.243 -33.623 77.157 1.00 0.00 C ATOM 0 H VAL A 24 -53.725 -33.623 79.560 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.171 -36.334 78.438 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.927 -35.573 76.436 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.409 -33.653 75.641 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.356 -34.887 76.507 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.902 -33.375 77.329 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.119 -33.190 76.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.594 -32.855 77.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.286 -34.013 77.505 1.00 0.00 H new ATOM 357 N HIS A 25 -51.900 -37.204 78.555 1.00 0.00 N ATOM 358 CA HIS A 25 -50.638 -37.946 78.899 1.00 0.00 C ATOM 359 C HIS A 25 -49.994 -38.306 77.563 1.00 0.00 C ATOM 360 O HIS A 25 -50.474 -39.178 76.865 1.00 0.00 O ATOM 361 CB HIS A 25 -50.973 -39.244 79.731 1.00 0.00 C ATOM 362 CG HIS A 25 -49.993 -40.408 79.474 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.750 -40.272 79.150 1.00 0.00 N ATOM 364 CD2 HIS A 25 -50.181 -41.779 79.525 1.00 0.00 C ATOM 365 CE1 HIS A 25 -48.203 -41.437 79.008 1.00 0.00 C ATOM 366 NE2 HIS A 25 -49.057 -42.404 79.232 1.00 0.00 N ATOM 0 H HIS A 25 -52.531 -37.734 77.954 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.968 -37.344 79.513 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.963 -38.998 80.793 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.984 -39.570 79.489 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -51.113 -42.266 79.769 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.169 -41.592 78.738 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -48.891 -43.410 79.190 1.00 0.00 H new ATOM 374 N TYR A 26 -48.922 -37.633 77.223 1.00 0.00 N ATOM 375 CA TYR A 26 -48.219 -37.914 75.925 1.00 0.00 C ATOM 376 C TYR A 26 -46.726 -38.181 76.058 1.00 0.00 C ATOM 377 O TYR A 26 -46.106 -38.002 77.089 1.00 0.00 O ATOM 378 CB TYR A 26 -48.382 -36.728 75.001 1.00 0.00 C ATOM 379 CG TYR A 26 -47.684 -35.517 75.626 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.364 -34.801 76.573 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.402 -35.127 75.276 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.790 -33.709 77.167 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.821 -34.023 75.879 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.516 -33.307 76.830 1.00 0.00 C ATOM 385 OH TYR A 26 -45.946 -32.206 77.434 1.00 0.00 O ATOM 0 H TYR A 26 -48.499 -36.897 77.789 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.681 -38.822 75.537 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.952 -36.949 74.024 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.439 -36.515 74.843 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.363 -35.100 76.855 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -45.854 -35.685 74.531 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.344 -33.155 77.910 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.821 -33.723 75.603 1.00 0.00 H new ATOM 0 HH TYR A 26 -45.044 -32.068 77.077 1.00 0.00 H new ATOM 395 N THR A 27 -46.223 -38.616 74.940 1.00 0.00 N ATOM 396 CA THR A 27 -44.788 -38.943 74.780 1.00 0.00 C ATOM 397 C THR A 27 -44.469 -38.391 73.391 1.00 0.00 C ATOM 398 O THR A 27 -45.062 -38.813 72.417 1.00 0.00 O ATOM 399 CB THR A 27 -44.608 -40.441 74.822 1.00 0.00 C ATOM 400 OG1 THR A 27 -45.064 -40.815 76.112 1.00 0.00 O ATOM 401 CG2 THR A 27 -43.116 -40.778 74.827 1.00 0.00 C ATOM 0 H THR A 27 -46.776 -38.763 74.096 1.00 0.00 H new ATOM 0 HA THR A 27 -44.144 -38.531 75.557 1.00 0.00 H new ATOM 0 HB THR A 27 -45.114 -40.922 73.985 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.981 -41.785 76.220 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.987 -41.860 74.857 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.651 -40.382 73.924 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.645 -40.332 75.703 1.00 0.00 H new ATOM 409 N GLY A 28 -43.555 -37.461 73.304 1.00 0.00 N ATOM 410 CA GLY A 28 -43.199 -36.879 71.967 1.00 0.00 C ATOM 411 C GLY A 28 -41.817 -37.344 71.519 1.00 0.00 C ATOM 412 O GLY A 28 -40.879 -37.395 72.290 1.00 0.00 O ATOM 0 H GLY A 28 -43.039 -37.077 74.095 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.943 -37.175 71.228 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -43.220 -35.791 72.023 1.00 0.00 H new ATOM 416 N MET A 29 -41.738 -37.675 70.256 1.00 0.00 N ATOM 417 CA MET A 29 -40.462 -38.153 69.648 1.00 0.00 C ATOM 418 C MET A 29 -40.332 -37.435 68.302 1.00 0.00 C ATOM 419 O MET A 29 -41.266 -36.820 67.821 1.00 0.00 O ATOM 420 CB MET A 29 -40.557 -39.676 69.475 1.00 0.00 C ATOM 421 CG MET A 29 -39.186 -40.254 69.100 1.00 0.00 C ATOM 422 SD MET A 29 -39.052 -42.057 69.018 1.00 0.00 S ATOM 423 CE MET A 29 -38.634 -42.331 70.759 1.00 0.00 C ATOM 0 H MET A 29 -42.523 -37.633 69.607 1.00 0.00 H new ATOM 0 HA MET A 29 -39.587 -37.940 70.262 1.00 0.00 H new ATOM 0 HB2 MET A 29 -40.912 -40.133 70.399 1.00 0.00 H new ATOM 0 HB3 MET A 29 -41.285 -39.916 68.700 1.00 0.00 H new ATOM 0 HG2 MET A 29 -38.901 -39.848 68.129 1.00 0.00 H new ATOM 0 HG3 MET A 29 -38.456 -39.892 69.824 1.00 0.00 H new ATOM 0 HE1 MET A 29 -38.503 -43.398 70.938 1.00 0.00 H new ATOM 0 HE2 MET A 29 -37.709 -41.807 70.998 1.00 0.00 H new ATOM 0 HE3 MET A 29 -39.438 -41.953 71.390 1.00 0.00 H new ATOM 694 N PHE A 46 -50.088 -33.718 81.787 1.00 0.00 N ATOM 695 CA PHE A 46 -50.214 -32.298 81.321 1.00 0.00 C ATOM 696 C PHE A 46 -51.678 -31.868 81.201 1.00 0.00 C ATOM 697 O PHE A 46 -52.529 -32.661 80.848 1.00 0.00 O ATOM 698 CB PHE A 46 -49.541 -32.238 80.006 1.00 0.00 C ATOM 699 CG PHE A 46 -49.495 -30.848 79.391 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.737 -29.892 80.014 1.00 0.00 C ATOM 701 CD2 PHE A 46 -50.186 -30.532 78.241 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.660 -28.613 79.507 1.00 0.00 C ATOM 703 CE2 PHE A 46 -50.115 -29.254 77.728 1.00 0.00 C ATOM 704 CZ PHE A 46 -49.353 -28.293 78.358 1.00 0.00 C ATOM 0 HA PHE A 46 -49.758 -31.615 82.038 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.522 -32.609 80.115 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -50.053 -32.911 79.318 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -48.194 -30.144 80.913 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.781 -31.283 77.743 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -48.061 -27.866 80.006 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.659 -29.005 76.829 1.00 0.00 H new ATOM 0 HZ PHE A 46 -49.299 -27.293 77.953 1.00 0.00 H new ATOM 714 N LYS A 47 -51.951 -30.619 81.496 1.00 0.00 N ATOM 715 CA LYS A 47 -53.357 -30.092 81.410 1.00 0.00 C ATOM 716 C LYS A 47 -53.420 -28.719 80.728 1.00 0.00 C ATOM 717 O LYS A 47 -52.873 -27.765 81.245 1.00 0.00 O ATOM 718 CB LYS A 47 -53.977 -29.935 82.813 1.00 0.00 C ATOM 719 CG LYS A 47 -53.970 -31.272 83.606 1.00 0.00 C ATOM 720 CD LYS A 47 -52.649 -31.558 84.383 1.00 0.00 C ATOM 721 CE LYS A 47 -52.519 -30.664 85.635 1.00 0.00 C ATOM 722 NZ LYS A 47 -52.067 -29.289 85.282 1.00 0.00 N ATOM 0 H LYS A 47 -51.257 -29.934 81.795 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.912 -30.821 80.820 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.424 -29.180 83.371 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -55.001 -29.575 82.718 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -54.798 -31.264 84.314 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -54.153 -32.092 82.912 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -52.621 -32.606 84.680 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -51.796 -31.390 83.725 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -53.480 -30.612 86.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -51.811 -31.113 86.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -51.436 -28.929 86.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -51.556 -29.313 84.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -52.893 -28.663 85.196 1.00 0.00 H new ATOM 736 N PHE A 48 -54.071 -28.615 79.591 1.00 0.00 N ATOM 737 CA PHE A 48 -54.158 -27.276 78.895 1.00 0.00 C ATOM 738 C PHE A 48 -55.586 -26.974 78.451 1.00 0.00 C ATOM 739 O PHE A 48 -56.459 -27.812 78.546 1.00 0.00 O ATOM 740 CB PHE A 48 -53.236 -27.250 77.655 1.00 0.00 C ATOM 741 CG PHE A 48 -53.767 -28.108 76.495 1.00 0.00 C ATOM 742 CD1 PHE A 48 -53.685 -29.486 76.529 1.00 0.00 C ATOM 743 CD2 PHE A 48 -54.331 -27.497 75.386 1.00 0.00 C ATOM 744 CE1 PHE A 48 -54.158 -30.239 75.470 1.00 0.00 C ATOM 745 CE2 PHE A 48 -54.805 -28.250 74.330 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.717 -29.622 74.373 1.00 0.00 C ATOM 0 H PHE A 48 -54.542 -29.385 79.115 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.839 -26.518 79.610 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.121 -26.221 77.316 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.245 -27.605 77.938 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -53.250 -29.978 77.386 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -54.401 -26.420 75.347 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -54.089 -31.316 75.503 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -55.244 -27.763 73.472 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.085 -30.214 73.548 1.00 0.00 H new ATOM 756 N MET A 49 -55.794 -25.772 77.972 1.00 0.00 N ATOM 757 CA MET A 49 -57.157 -25.351 77.505 1.00 0.00 C ATOM 758 C MET A 49 -57.206 -24.950 76.033 1.00 0.00 C ATOM 759 O MET A 49 -56.229 -24.526 75.447 1.00 0.00 O ATOM 760 CB MET A 49 -57.589 -24.209 78.367 1.00 0.00 C ATOM 761 CG MET A 49 -58.955 -23.648 77.937 1.00 0.00 C ATOM 762 SD MET A 49 -59.714 -22.420 79.028 1.00 0.00 S ATOM 763 CE MET A 49 -60.627 -23.578 80.078 1.00 0.00 C ATOM 0 H MET A 49 -55.073 -25.056 77.883 1.00 0.00 H new ATOM 0 HA MET A 49 -57.829 -26.205 77.593 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.642 -24.538 79.405 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.841 -23.417 78.322 1.00 0.00 H new ATOM 0 HG2 MET A 49 -58.843 -23.201 76.949 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.647 -24.483 77.832 1.00 0.00 H new ATOM 0 HE1 MET A 49 -61.018 -23.050 80.948 1.00 0.00 H new ATOM 0 HE2 MET A 49 -61.454 -24.008 79.513 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.960 -24.375 80.407 1.00 0.00 H new ATOM 773 N LEU A 50 -58.381 -25.109 75.481 1.00 0.00 N ATOM 774 CA LEU A 50 -58.668 -24.784 74.063 1.00 0.00 C ATOM 775 C LEU A 50 -59.153 -23.336 73.932 1.00 0.00 C ATOM 776 O LEU A 50 -60.100 -22.940 74.581 1.00 0.00 O ATOM 777 CB LEU A 50 -59.730 -25.777 73.618 1.00 0.00 C ATOM 778 CG LEU A 50 -60.302 -25.468 72.235 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.213 -25.550 71.186 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.364 -26.514 71.916 1.00 0.00 C ATOM 0 H LEU A 50 -59.189 -25.470 75.988 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.779 -24.862 73.437 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.301 -26.779 73.611 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.541 -25.783 74.346 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.725 -24.463 72.232 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.635 -25.328 70.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.430 -24.827 71.417 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.789 -26.554 71.179 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.788 -26.314 70.932 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.911 -27.506 71.922 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.154 -26.471 72.666 1.00 0.00 H new ATOM 792 N GLY A 51 -58.498 -22.569 73.099 1.00 0.00 N ATOM 793 CA GLY A 51 -58.898 -21.137 72.895 1.00 0.00 C ATOM 794 C GLY A 51 -57.734 -20.215 73.239 1.00 0.00 C ATOM 795 O GLY A 51 -57.651 -19.102 72.756 1.00 0.00 O ATOM 0 H GLY A 51 -57.697 -22.872 72.546 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -59.203 -20.980 71.860 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -59.758 -20.899 73.521 1.00 0.00 H new ATOM 799 N LYS A 52 -56.851 -20.699 74.075 1.00 0.00 N ATOM 800 CA LYS A 52 -55.661 -19.895 74.502 1.00 0.00 C ATOM 801 C LYS A 52 -54.379 -20.582 74.017 1.00 0.00 C ATOM 802 O LYS A 52 -53.397 -20.609 74.731 1.00 0.00 O ATOM 803 CB LYS A 52 -55.703 -19.818 76.019 1.00 0.00 C ATOM 804 CG LYS A 52 -54.798 -18.686 76.532 1.00 0.00 C ATOM 805 CD LYS A 52 -54.842 -18.685 78.061 1.00 0.00 C ATOM 806 CE LYS A 52 -53.897 -17.598 78.576 1.00 0.00 C ATOM 807 NZ LYS A 52 -54.331 -16.264 78.073 1.00 0.00 N ATOM 0 H LYS A 52 -56.903 -21.631 74.487 1.00 0.00 H new ATOM 0 HA LYS A 52 -55.676 -18.892 74.076 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -56.727 -19.650 76.351 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.382 -20.768 76.445 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -53.776 -18.830 76.183 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.135 -17.725 76.143 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -55.858 -18.500 78.410 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -54.545 -19.659 78.449 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -53.888 -17.599 79.666 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -52.878 -17.805 78.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -53.922 -15.518 78.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -54.006 -16.140 77.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -55.369 -16.202 78.104 1.00 0.00 H new ATOM 821 N GLN A 53 -54.469 -21.102 72.817 1.00 0.00 N ATOM 822 CA GLN A 53 -53.352 -21.818 72.123 1.00 0.00 C ATOM 823 C GLN A 53 -52.073 -21.936 72.945 1.00 0.00 C ATOM 824 O GLN A 53 -51.026 -21.437 72.583 1.00 0.00 O ATOM 825 CB GLN A 53 -53.056 -21.083 70.814 1.00 0.00 C ATOM 826 CG GLN A 53 -54.307 -21.153 69.933 1.00 0.00 C ATOM 827 CD GLN A 53 -54.036 -20.422 68.617 1.00 0.00 C ATOM 828 OE1 GLN A 53 -53.743 -19.244 68.595 1.00 0.00 O ATOM 829 NE2 GLN A 53 -54.124 -21.088 67.498 1.00 0.00 N ATOM 0 H GLN A 53 -55.322 -21.055 72.260 1.00 0.00 H new ATOM 0 HA GLN A 53 -53.685 -22.842 71.952 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -52.789 -20.045 71.013 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.207 -21.539 70.305 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -54.571 -22.192 69.738 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -55.154 -20.700 70.447 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -54.370 -22.078 67.512 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -53.947 -20.619 66.610 1.00 0.00 H new ATOM 838 N GLU A 54 -52.220 -22.613 74.049 1.00 0.00 N ATOM 839 CA GLU A 54 -51.059 -22.814 74.958 1.00 0.00 C ATOM 840 C GLU A 54 -50.159 -23.866 74.322 1.00 0.00 C ATOM 841 O GLU A 54 -48.976 -23.938 74.590 1.00 0.00 O ATOM 842 CB GLU A 54 -51.562 -23.302 76.318 1.00 0.00 C ATOM 843 CG GLU A 54 -50.361 -23.518 77.246 1.00 0.00 C ATOM 844 CD GLU A 54 -50.871 -23.962 78.619 1.00 0.00 C ATOM 845 OE1 GLU A 54 -51.522 -24.993 78.644 1.00 0.00 O ATOM 846 OE2 GLU A 54 -50.579 -23.242 79.560 1.00 0.00 O ATOM 0 H GLU A 54 -53.094 -23.036 74.361 1.00 0.00 H new ATOM 0 HA GLU A 54 -50.508 -21.885 75.106 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.246 -22.572 76.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -52.120 -24.231 76.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -49.693 -24.272 76.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -49.784 -22.597 77.337 1.00 0.00 H new ATOM 853 N VAL A 55 -50.762 -24.664 73.480 1.00 0.00 N ATOM 854 CA VAL A 55 -50.018 -25.751 72.766 1.00 0.00 C ATOM 855 C VAL A 55 -50.002 -25.384 71.283 1.00 0.00 C ATOM 856 O VAL A 55 -50.516 -24.349 70.908 1.00 0.00 O ATOM 857 CB VAL A 55 -50.751 -27.080 73.012 1.00 0.00 C ATOM 858 CG1 VAL A 55 -50.748 -27.361 74.511 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.215 -27.009 72.562 1.00 0.00 C ATOM 0 H VAL A 55 -51.755 -24.610 73.252 1.00 0.00 H new ATOM 0 HA VAL A 55 -48.993 -25.859 73.122 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.241 -27.858 72.445 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.264 -28.301 74.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -49.720 -27.431 74.866 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.258 -26.552 75.034 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.701 -27.966 72.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.729 -26.225 73.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.258 -26.785 71.496 1.00 0.00 H new ATOM 869 N ILE A 56 -49.426 -26.214 70.452 1.00 0.00 N ATOM 870 CA ILE A 56 -49.395 -25.876 68.992 1.00 0.00 C ATOM 871 C ILE A 56 -50.620 -26.436 68.279 1.00 0.00 C ATOM 872 O ILE A 56 -51.348 -27.253 68.807 1.00 0.00 O ATOM 873 CB ILE A 56 -48.120 -26.458 68.371 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.032 -27.936 68.799 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.911 -25.625 68.890 1.00 0.00 C ATOM 876 CD1 ILE A 56 -46.967 -28.647 67.967 1.00 0.00 C ATOM 0 H ILE A 56 -48.983 -27.095 70.711 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.403 -24.792 68.879 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.122 -26.410 67.282 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -47.786 -28.004 69.859 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -48.998 -28.422 68.664 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -45.988 -26.018 68.463 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -47.033 -24.583 68.594 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.864 -25.690 69.977 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -46.906 -29.692 68.271 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.233 -28.591 66.911 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.001 -28.166 68.124 1.00 0.00 H new ATOM 888 N ARG A 57 -50.803 -25.966 67.078 1.00 0.00 N ATOM 889 CA ARG A 57 -51.960 -26.419 66.268 1.00 0.00 C ATOM 890 C ARG A 57 -52.115 -27.936 66.330 1.00 0.00 C ATOM 891 O ARG A 57 -53.056 -28.425 66.923 1.00 0.00 O ATOM 892 CB ARG A 57 -51.745 -25.920 64.794 1.00 0.00 C ATOM 893 CG ARG A 57 -52.889 -24.988 64.349 1.00 0.00 C ATOM 894 CD ARG A 57 -52.769 -23.635 65.068 1.00 0.00 C ATOM 895 NE ARG A 57 -53.857 -22.742 64.546 1.00 0.00 N ATOM 896 CZ ARG A 57 -53.585 -21.614 63.940 1.00 0.00 C ATOM 897 NH1 ARG A 57 -52.429 -21.472 63.351 1.00 0.00 N ATOM 898 NH2 ARG A 57 -54.482 -20.666 63.942 1.00 0.00 N ATOM 0 H ARG A 57 -50.196 -25.284 66.623 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.884 -25.999 66.666 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -50.794 -25.393 64.721 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.688 -26.776 64.122 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -52.851 -24.841 63.270 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -53.852 -25.446 64.575 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.865 -23.765 66.146 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -51.790 -23.191 64.887 1.00 0.00 H new ATOM 0 HE ARG A 57 -54.831 -23.021 64.666 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -51.751 -22.234 63.367 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -52.203 -20.599 62.875 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -55.376 -20.811 64.410 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -54.289 -19.780 63.475 1.00 0.00 H new ATOM 912 N GLY A 58 -51.185 -28.612 65.702 1.00 0.00 N ATOM 913 CA GLY A 58 -51.165 -30.107 65.657 1.00 0.00 C ATOM 914 C GLY A 58 -51.864 -30.745 66.857 1.00 0.00 C ATOM 915 O GLY A 58 -52.518 -31.761 66.745 1.00 0.00 O ATOM 0 H GLY A 58 -50.412 -28.173 65.202 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.647 -30.445 64.740 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.131 -30.451 65.619 1.00 0.00 H new ATOM 919 N TRP A 59 -51.695 -30.106 67.987 1.00 0.00 N ATOM 920 CA TRP A 59 -52.319 -30.603 69.249 1.00 0.00 C ATOM 921 C TRP A 59 -53.756 -30.094 69.294 1.00 0.00 C ATOM 922 O TRP A 59 -54.696 -30.853 69.191 1.00 0.00 O ATOM 923 CB TRP A 59 -51.553 -30.040 70.480 1.00 0.00 C ATOM 924 CG TRP A 59 -50.660 -31.061 71.175 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.755 -31.809 70.525 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.590 -31.321 72.502 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.171 -32.482 71.493 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.599 -32.263 72.729 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.310 -30.833 73.581 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.335 -32.691 74.021 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -51.042 -31.265 74.844 1.00 0.00 C ATOM 932 CH2 TRP A 59 -50.055 -32.192 75.063 1.00 0.00 C ATOM 0 H TRP A 59 -51.146 -29.253 68.089 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.285 -31.692 69.275 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -50.942 -29.196 70.160 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.276 -29.655 71.200 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.555 -31.849 69.464 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.420 -33.145 71.301 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -52.090 -30.104 73.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.559 -33.420 74.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.609 -30.876 75.677 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.848 -32.528 76.068 1.00 0.00 H new ATOM 943 N GLU A 60 -53.856 -28.795 69.452 1.00 0.00 N ATOM 944 CA GLU A 60 -55.178 -28.102 69.527 1.00 0.00 C ATOM 945 C GLU A 60 -56.200 -28.795 68.639 1.00 0.00 C ATOM 946 O GLU A 60 -57.272 -29.177 69.060 1.00 0.00 O ATOM 947 CB GLU A 60 -54.923 -26.665 69.111 1.00 0.00 C ATOM 948 CG GLU A 60 -56.167 -25.800 69.317 1.00 0.00 C ATOM 949 CD GLU A 60 -57.177 -26.013 68.181 1.00 0.00 C ATOM 950 OE1 GLU A 60 -56.816 -26.682 67.228 1.00 0.00 O ATOM 951 OE2 GLU A 60 -58.264 -25.479 68.332 1.00 0.00 O ATOM 0 H GLU A 60 -53.053 -28.172 69.534 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.599 -28.133 70.532 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.094 -26.258 69.690 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.625 -26.635 68.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -56.631 -26.045 70.272 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -55.881 -24.749 69.362 1.00 0.00 H new ATOM 958 N GLU A 61 -55.796 -28.939 67.409 1.00 0.00 N ATOM 959 CA GLU A 61 -56.647 -29.593 66.406 1.00 0.00 C ATOM 960 C GLU A 61 -56.596 -31.084 66.762 1.00 0.00 C ATOM 961 O GLU A 61 -57.608 -31.711 67.010 1.00 0.00 O ATOM 962 CB GLU A 61 -56.055 -29.321 65.017 1.00 0.00 C ATOM 963 CG GLU A 61 -57.077 -29.610 63.898 1.00 0.00 C ATOM 964 CD GLU A 61 -57.494 -31.082 63.884 1.00 0.00 C ATOM 965 OE1 GLU A 61 -58.259 -31.439 64.762 1.00 0.00 O ATOM 966 OE2 GLU A 61 -57.020 -31.764 62.991 1.00 0.00 O ATOM 0 H GLU A 61 -54.892 -28.621 67.060 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.676 -29.233 66.396 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -55.732 -28.282 64.956 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.170 -29.940 64.871 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -57.958 -28.983 64.038 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -56.646 -29.344 62.933 1.00 0.00 H new ATOM 973 N GLY A 62 -55.406 -31.624 66.788 1.00 0.00 N ATOM 974 CA GLY A 62 -55.262 -33.064 67.123 1.00 0.00 C ATOM 975 C GLY A 62 -56.095 -33.428 68.351 1.00 0.00 C ATOM 976 O GLY A 62 -57.162 -33.994 68.256 1.00 0.00 O ATOM 0 H GLY A 62 -54.535 -31.131 66.593 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.575 -33.671 66.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.213 -33.294 67.310 1.00 0.00 H new ATOM 980 N VAL A 63 -55.568 -33.088 69.493 1.00 0.00 N ATOM 981 CA VAL A 63 -56.275 -33.381 70.768 1.00 0.00 C ATOM 982 C VAL A 63 -57.791 -33.148 70.651 1.00 0.00 C ATOM 983 O VAL A 63 -58.572 -33.972 71.075 1.00 0.00 O ATOM 984 CB VAL A 63 -55.679 -32.494 71.860 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.323 -32.929 73.185 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.130 -32.678 71.913 1.00 0.00 C ATOM 0 H VAL A 63 -54.670 -32.616 69.598 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.139 -34.434 71.016 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.876 -31.440 71.665 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.927 -32.321 73.999 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.403 -32.796 73.125 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -56.096 -33.979 73.372 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.715 -32.042 72.694 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.895 -33.720 72.130 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.698 -32.401 70.952 1.00 0.00 H new ATOM 996 N ALA A 64 -58.191 -32.034 70.100 1.00 0.00 N ATOM 997 CA ALA A 64 -59.660 -31.792 69.967 1.00 0.00 C ATOM 998 C ALA A 64 -60.343 -32.995 69.333 1.00 0.00 C ATOM 999 O ALA A 64 -61.320 -33.537 69.813 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.923 -30.594 69.070 1.00 0.00 C ATOM 0 H ALA A 64 -57.583 -31.296 69.744 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.053 -31.613 70.968 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -60.998 -30.432 68.984 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.456 -29.708 69.500 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.504 -30.781 68.081 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.747 -33.349 68.234 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.190 -34.472 67.400 1.00 0.00 C ATOM 1008 C GLN A 65 -60.027 -35.808 68.126 1.00 0.00 C ATOM 1009 O GLN A 65 -60.293 -36.854 67.569 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.359 -34.325 66.131 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.799 -35.195 64.968 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.914 -34.804 63.764 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -58.958 -35.433 62.725 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -58.100 -33.777 63.857 1.00 0.00 N ATOM 0 H GLN A 65 -58.924 -32.870 67.869 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.254 -34.459 67.165 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.388 -33.282 65.815 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.321 -34.558 66.366 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.681 -36.252 65.208 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.853 -35.035 64.742 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -58.053 -33.240 64.723 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.515 -33.516 63.063 1.00 0.00 H new ATOM 1023 N MET A 66 -59.591 -35.747 69.362 1.00 0.00 N ATOM 1024 CA MET A 66 -59.412 -37.015 70.160 1.00 0.00 C ATOM 1025 C MET A 66 -60.565 -37.026 71.172 1.00 0.00 C ATOM 1026 O MET A 66 -61.036 -35.974 71.556 1.00 0.00 O ATOM 1027 CB MET A 66 -58.071 -36.979 70.895 1.00 0.00 C ATOM 1028 CG MET A 66 -57.866 -38.310 71.614 1.00 0.00 C ATOM 1029 SD MET A 66 -56.323 -38.506 72.541 1.00 0.00 S ATOM 1030 CE MET A 66 -55.182 -38.569 71.137 1.00 0.00 C ATOM 0 H MET A 66 -59.352 -34.886 69.854 1.00 0.00 H new ATOM 0 HA MET A 66 -59.419 -37.902 69.527 1.00 0.00 H new ATOM 0 HB2 MET A 66 -57.259 -36.803 70.190 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.055 -36.157 71.611 1.00 0.00 H new ATOM 0 HG2 MET A 66 -58.698 -38.456 72.303 1.00 0.00 H new ATOM 0 HG3 MET A 66 -57.922 -39.108 70.874 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.415 -39.320 71.325 1.00 0.00 H new ATOM 0 HE2 MET A 66 -55.732 -38.830 70.233 1.00 0.00 H new ATOM 0 HE3 MET A 66 -54.711 -37.595 71.007 1.00 0.00 H new ATOM 1040 N SER A 67 -61.005 -38.186 71.600 1.00 0.00 N ATOM 1041 CA SER A 67 -62.143 -38.263 72.590 1.00 0.00 C ATOM 1042 C SER A 67 -61.746 -38.879 73.928 1.00 0.00 C ATOM 1043 O SER A 67 -60.845 -39.686 74.037 1.00 0.00 O ATOM 1044 CB SER A 67 -63.264 -39.102 71.990 1.00 0.00 C ATOM 1045 OG SER A 67 -62.670 -40.381 71.830 1.00 0.00 O ATOM 0 H SER A 67 -60.628 -39.088 71.309 1.00 0.00 H new ATOM 0 HA SER A 67 -62.458 -37.238 72.785 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.132 -39.142 72.648 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.604 -38.695 71.038 1.00 0.00 H new ATOM 0 HG SER A 67 -63.325 -41.000 71.445 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.473 -38.441 74.916 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.261 -38.905 76.308 1.00 0.00 C ATOM 1053 C VAL A 68 -62.077 -40.412 76.458 1.00 0.00 C ATOM 1054 O VAL A 68 -63.042 -41.150 76.509 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.460 -38.425 77.133 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.359 -38.873 78.591 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.501 -36.897 77.093 1.00 0.00 C ATOM 0 H VAL A 68 -63.226 -37.761 74.810 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.320 -38.482 76.661 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.364 -38.857 76.705 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -64.227 -38.513 79.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.326 -39.962 78.636 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.452 -38.464 79.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.350 -36.540 77.676 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.578 -36.497 77.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.604 -36.563 76.061 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.849 -40.853 76.525 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.580 -42.321 76.676 1.00 0.00 C ATOM 1069 C GLY A 69 -59.951 -42.855 75.400 1.00 0.00 C ATOM 1070 O GLY A 69 -59.785 -44.048 75.234 1.00 0.00 O ATOM 0 H GLY A 69 -60.018 -40.263 76.482 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.915 -42.495 77.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.508 -42.852 76.886 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.609 -41.955 74.513 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.976 -42.380 73.214 1.00 0.00 C ATOM 1076 C GLN A 70 -57.476 -42.083 73.196 1.00 0.00 C ATOM 1077 O GLN A 70 -57.013 -41.104 73.748 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.650 -41.628 72.049 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.928 -41.930 70.724 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.741 -41.342 69.569 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.895 -41.668 69.375 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.173 -40.472 68.781 1.00 0.00 N ATOM 0 H GLN A 70 -59.737 -40.949 74.625 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.114 -43.456 73.108 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.697 -41.923 71.975 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.634 -40.555 72.243 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.926 -41.502 70.735 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.813 -43.006 70.594 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.204 -40.196 68.941 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.698 -40.068 68.005 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.753 -42.964 72.546 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.265 -42.821 72.423 1.00 0.00 C ATOM 1093 C ARG A 71 -54.903 -42.886 70.959 1.00 0.00 C ATOM 1094 O ARG A 71 -55.458 -43.656 70.195 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.553 -43.945 73.149 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.029 -43.823 72.992 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.383 -44.967 73.778 1.00 0.00 C ATOM 1098 NE ARG A 71 -50.924 -44.999 73.432 1.00 0.00 N ATOM 1099 CZ ARG A 71 -49.997 -44.835 74.342 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.252 -45.180 75.574 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -48.848 -44.330 73.985 1.00 0.00 N ATOM 0 H ARG A 71 -57.137 -43.790 72.088 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.960 -41.872 72.864 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.816 -43.924 74.207 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.887 -44.905 72.756 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.748 -43.876 71.940 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.683 -42.860 73.366 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.518 -44.817 74.849 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.855 -45.917 73.527 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.647 -45.153 72.463 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -51.162 -45.571 75.816 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.541 -45.059 76.295 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -48.685 -44.071 73.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.113 -44.194 74.679 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.949 -42.057 70.632 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.468 -41.981 69.214 1.00 0.00 C ATOM 1117 C ALA A 72 -52.005 -41.605 69.038 1.00 0.00 C ATOM 1118 O ALA A 72 -51.271 -41.336 69.968 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.293 -40.950 68.454 1.00 0.00 C ATOM 0 H ALA A 72 -53.479 -41.427 71.282 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.584 -42.994 68.830 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.944 -40.894 67.423 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.343 -41.243 68.467 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.183 -39.975 68.928 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.669 -41.616 67.776 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.306 -41.283 67.281 1.00 0.00 C ATOM 1127 C LYS A 73 -50.573 -40.208 66.232 1.00 0.00 C ATOM 1128 O LYS A 73 -51.031 -40.497 65.145 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.664 -42.520 66.648 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.289 -42.126 66.107 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.635 -43.362 65.489 1.00 0.00 C ATOM 1132 CE LYS A 73 -46.259 -42.964 64.952 1.00 0.00 C ATOM 1133 NZ LYS A 73 -45.593 -44.145 64.336 1.00 0.00 N ATOM 0 H LYS A 73 -52.323 -41.856 67.031 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.623 -40.950 68.062 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.567 -43.317 67.386 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.292 -42.904 65.844 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.388 -41.337 65.361 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.666 -41.730 66.909 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -47.537 -44.152 66.234 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -48.256 -43.757 64.685 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -46.363 -42.169 64.214 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -45.644 -42.570 65.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -44.659 -43.867 63.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -45.479 -44.891 65.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -46.176 -44.503 63.552 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.280 -38.984 66.576 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.518 -37.864 65.612 1.00 0.00 C ATOM 1149 C LEU A 74 -49.203 -37.453 64.960 1.00 0.00 C ATOM 1150 O LEU A 74 -48.139 -37.591 65.533 1.00 0.00 O ATOM 1151 CB LEU A 74 -51.100 -36.649 66.349 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.446 -36.980 67.061 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.230 -37.588 68.458 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.264 -35.700 67.236 1.00 0.00 C ATOM 0 H LEU A 74 -49.888 -38.708 67.477 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.220 -38.205 64.851 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.379 -36.294 67.086 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.257 -35.837 65.639 1.00 0.00 H new ATOM 0 HG LEU A 74 -52.966 -37.705 66.435 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.196 -37.802 68.915 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.658 -38.512 68.368 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -51.682 -36.881 69.082 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.205 -35.935 67.734 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.701 -34.988 67.840 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.470 -35.263 66.259 1.00 0.00 H new ATOM 1166 N THR A 75 -49.321 -36.952 63.759 1.00 0.00 N ATOM 1167 CA THR A 75 -48.129 -36.495 62.976 1.00 0.00 C ATOM 1168 C THR A 75 -48.384 -35.027 62.671 1.00 0.00 C ATOM 1169 O THR A 75 -49.377 -34.686 62.058 1.00 0.00 O ATOM 1170 CB THR A 75 -48.029 -37.292 61.679 1.00 0.00 C ATOM 1171 OG1 THR A 75 -47.928 -38.643 62.103 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.692 -37.013 60.990 1.00 0.00 C ATOM 0 H THR A 75 -50.212 -36.837 63.275 1.00 0.00 H new ATOM 0 HA THR A 75 -47.197 -36.638 63.524 1.00 0.00 H new ATOM 0 HB THR A 75 -48.863 -37.058 61.017 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.861 -39.228 61.319 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.632 -37.587 60.066 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.615 -35.950 60.762 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.875 -37.303 61.651 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.491 -34.175 63.098 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.645 -32.705 62.858 1.00 0.00 C ATOM 1182 C ILE A 76 -46.575 -32.267 61.877 1.00 0.00 C ATOM 1183 O ILE A 76 -45.443 -32.697 61.947 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.448 -31.936 64.176 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.292 -32.618 65.279 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.911 -30.475 63.911 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -47.989 -32.035 66.670 1.00 0.00 C ATOM 0 H ILE A 76 -46.649 -34.436 63.610 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.641 -32.500 62.465 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.411 -31.935 64.511 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.352 -32.494 65.055 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.090 -33.689 65.282 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.791 -29.885 64.820 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.307 -30.041 63.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.960 -30.474 63.614 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.601 -32.540 67.417 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -46.935 -32.183 66.905 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.216 -30.969 66.675 1.00 0.00 H new ATOM 1199 N SER A 77 -46.981 -31.403 60.988 1.00 0.00 N ATOM 1200 CA SER A 77 -46.059 -30.856 59.934 1.00 0.00 C ATOM 1201 C SER A 77 -45.903 -29.358 60.246 1.00 0.00 C ATOM 1202 O SER A 77 -46.792 -28.795 60.854 1.00 0.00 O ATOM 1203 CB SER A 77 -46.735 -31.098 58.575 1.00 0.00 C ATOM 1204 OG SER A 77 -47.982 -30.437 58.716 1.00 0.00 O ATOM 0 H SER A 77 -47.933 -31.041 60.941 1.00 0.00 H new ATOM 0 HA SER A 77 -45.075 -31.324 59.914 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.150 -30.684 57.754 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.863 -32.161 58.371 1.00 0.00 H new ATOM 0 HG SER A 77 -48.505 -30.546 57.894 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.817 -28.732 59.851 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.551 -27.317 60.220 1.00 0.00 C ATOM 1212 C PRO A 78 -45.813 -26.448 60.228 1.00 0.00 C ATOM 1213 O PRO A 78 -46.115 -25.799 61.209 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.467 -26.868 59.196 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.430 -28.015 58.150 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.730 -29.261 58.987 1.00 0.00 C ATOM 0 HA PRO A 78 -44.202 -27.207 61.247 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.727 -25.916 58.733 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.497 -26.735 59.676 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -44.172 -27.869 57.365 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.458 -28.083 57.661 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -44.054 -30.105 58.378 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.866 -29.596 59.561 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.514 -26.463 59.126 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.765 -25.668 58.983 1.00 0.00 C ATOM 1226 C ASP A 79 -48.553 -25.578 60.292 1.00 0.00 C ATOM 1227 O ASP A 79 -49.163 -24.573 60.598 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.602 -26.321 57.861 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.505 -27.851 57.925 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -47.382 -28.320 57.846 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -49.551 -28.467 58.044 1.00 0.00 O ATOM 0 H ASP A 79 -46.264 -27.007 58.300 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.517 -24.638 58.725 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.644 -26.015 57.954 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -48.252 -25.971 56.890 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.512 -26.658 61.030 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.222 -26.767 62.341 1.00 0.00 C ATOM 1238 C TYR A 80 -48.255 -26.659 63.532 1.00 0.00 C ATOM 1239 O TYR A 80 -48.666 -26.272 64.607 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.962 -28.120 62.349 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.314 -28.009 61.609 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.391 -27.523 60.317 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.483 -28.392 62.241 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.609 -27.421 59.675 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.698 -28.290 61.598 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.771 -27.805 60.311 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.988 -27.701 59.668 1.00 0.00 O ATOM 0 H TYR A 80 -47.997 -27.498 60.768 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.924 -25.941 62.451 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.343 -28.881 61.874 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.130 -28.442 63.377 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.490 -27.220 59.805 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.443 -28.775 63.250 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.652 -27.037 58.666 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.601 -28.593 62.108 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.700 -28.017 60.263 1.00 0.00 H new ATOM 1457 N THR A 96 -40.584 -31.748 61.653 1.00 0.00 N ATOM 1458 CA THR A 96 -41.835 -32.547 61.856 1.00 0.00 C ATOM 1459 C THR A 96 -41.841 -33.092 63.285 1.00 0.00 C ATOM 1460 O THR A 96 -40.814 -33.517 63.775 1.00 0.00 O ATOM 1461 CB THR A 96 -41.846 -33.711 60.862 1.00 0.00 C ATOM 1462 OG1 THR A 96 -41.729 -33.078 59.595 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.223 -34.380 60.801 1.00 0.00 C ATOM 0 HA THR A 96 -42.715 -31.924 61.696 1.00 0.00 H new ATOM 0 HB THR A 96 -41.080 -34.439 61.129 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.195 -32.261 59.685 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.197 -35.202 60.086 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.485 -34.764 61.787 1.00 0.00 H new ATOM 0 HG23 THR A 96 -43.969 -33.650 60.487 1.00 0.00 H new ATOM 1471 N LEU A 97 -42.975 -33.083 63.945 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.068 -33.598 65.336 1.00 0.00 C ATOM 1473 C LEU A 97 -44.017 -34.807 65.335 1.00 0.00 C ATOM 1474 O LEU A 97 -44.931 -34.867 64.536 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.671 -32.529 66.226 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.058 -31.149 66.100 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.747 -30.233 67.099 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.581 -31.135 66.430 1.00 0.00 C ATOM 0 H LEU A 97 -43.854 -32.732 63.565 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.078 -33.873 65.699 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.736 -32.455 66.005 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.583 -32.853 67.263 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.185 -30.827 65.067 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.322 -29.232 67.028 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.814 -30.191 66.879 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.600 -30.618 68.108 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.194 -30.122 66.323 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.434 -31.473 67.456 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.050 -31.800 65.749 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.800 -35.749 66.219 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.698 -36.946 66.280 1.00 0.00 C ATOM 1492 C VAL A 98 -45.070 -37.150 67.746 1.00 0.00 C ATOM 1493 O VAL A 98 -44.210 -37.298 68.590 1.00 0.00 O ATOM 1494 CB VAL A 98 -43.974 -38.182 65.775 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -44.977 -39.358 65.793 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.519 -37.937 64.336 1.00 0.00 C ATOM 0 H VAL A 98 -43.041 -35.742 66.901 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.579 -36.789 65.658 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.109 -38.405 66.399 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.484 -40.262 65.435 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.332 -39.518 66.811 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.823 -39.125 65.146 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -42.998 -38.819 63.964 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.388 -37.737 63.709 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.847 -37.080 64.308 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.347 -37.154 68.026 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.820 -37.350 69.435 1.00 0.00 C ATOM 1508 C PHE A 99 -47.618 -38.654 69.548 1.00 0.00 C ATOM 1509 O PHE A 99 -48.153 -39.167 68.586 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.742 -36.208 69.863 1.00 0.00 C ATOM 1511 CG PHE A 99 -46.959 -34.923 70.150 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.439 -34.184 69.118 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.791 -34.487 71.450 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.758 -33.013 69.381 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.114 -33.319 71.722 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.593 -32.576 70.674 1.00 0.00 C ATOM 0 H PHE A 99 -47.089 -37.029 67.338 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.938 -37.380 70.075 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.475 -36.019 69.079 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.296 -36.503 70.754 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.563 -34.519 68.099 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.196 -35.070 72.264 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.351 -32.435 68.564 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -45.990 -32.985 72.742 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.060 -31.658 70.872 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.657 -39.135 70.757 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.390 -40.388 71.105 1.00 0.00 C ATOM 1528 C ASP A 100 -49.231 -39.865 72.259 1.00 0.00 C ATOM 1529 O ASP A 100 -48.783 -39.914 73.385 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.406 -41.457 71.576 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.395 -41.753 70.462 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -46.529 -41.136 69.418 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -45.542 -42.586 70.724 1.00 0.00 O ATOM 0 H ASP A 100 -47.193 -38.694 71.551 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.954 -40.856 70.298 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.886 -41.117 72.472 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -47.943 -42.367 71.845 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.423 -39.379 71.999 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.267 -38.834 73.126 1.00 0.00 C ATOM 1540 C VAL A 101 -52.426 -39.714 73.565 1.00 0.00 C ATOM 1541 O VAL A 101 -52.989 -40.481 72.811 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.856 -37.474 72.706 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.477 -36.736 73.912 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.815 -36.617 72.005 1.00 0.00 C ATOM 0 H VAL A 101 -50.848 -39.334 71.073 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.586 -38.768 73.975 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.657 -37.665 71.992 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.884 -35.780 73.583 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.276 -37.343 74.338 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.710 -36.563 74.667 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.260 -35.664 71.721 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.977 -36.439 72.678 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.460 -37.133 71.112 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.729 -39.544 74.825 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.838 -40.285 75.490 1.00 0.00 C ATOM 1556 C GLU A 102 -54.743 -39.256 76.181 1.00 0.00 C ATOM 1557 O GLU A 102 -54.423 -38.825 77.270 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.264 -41.249 76.530 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.427 -42.062 77.110 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.889 -43.058 78.137 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.355 -42.576 79.122 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.045 -44.239 77.876 1.00 0.00 O ATOM 0 H GLU A 102 -52.234 -38.898 75.441 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.405 -40.860 74.758 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.527 -41.909 76.073 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.752 -40.698 77.319 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.152 -41.397 77.578 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.948 -42.591 76.312 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.839 -38.860 75.578 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.694 -37.857 76.293 1.00 0.00 C ATOM 1571 C LEU A 103 -57.290 -38.622 77.466 1.00 0.00 C ATOM 1572 O LEU A 103 -58.003 -39.595 77.301 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.807 -37.328 75.348 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.832 -36.394 76.081 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.169 -35.117 76.685 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.882 -35.937 75.053 1.00 0.00 C ATOM 0 H LEU A 103 -56.169 -39.170 74.664 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.129 -36.985 76.623 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.348 -36.781 74.524 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.340 -38.173 74.912 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.267 -36.964 76.902 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -58.929 -34.511 77.179 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.410 -35.410 77.411 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.704 -34.537 75.888 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.608 -35.285 75.539 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.389 -35.394 74.247 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.394 -36.808 74.644 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.971 -38.133 78.633 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.453 -38.766 79.888 1.00 0.00 C ATOM 1590 C LEU A 104 -58.864 -38.309 80.210 1.00 0.00 C ATOM 1591 O LEU A 104 -59.765 -39.109 80.366 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.491 -38.372 81.011 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.038 -38.784 80.620 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.033 -37.917 81.359 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.780 -40.251 80.983 1.00 0.00 C ATOM 0 H LEU A 104 -56.387 -37.308 78.769 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.479 -39.850 79.776 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.541 -37.297 81.187 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.781 -38.861 81.941 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.926 -38.649 79.544 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.022 -38.213 81.079 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.191 -36.871 81.095 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.164 -38.044 82.434 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.762 -40.521 80.703 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.910 -40.389 82.056 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.484 -40.888 80.448 1.00 0.00 H new ATOM 1607 N LYS A 105 -59.011 -37.021 80.298 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.342 -36.463 80.611 1.00 0.00 C ATOM 1609 C LYS A 105 -60.333 -34.947 80.522 1.00 0.00 C ATOM 1610 O LYS A 105 -59.402 -34.349 80.022 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.761 -36.902 82.023 1.00 0.00 C ATOM 1612 CG LYS A 105 -59.670 -36.502 83.012 1.00 0.00 C ATOM 1613 CD LYS A 105 -60.076 -36.983 84.407 1.00 0.00 C ATOM 1614 CE LYS A 105 -58.968 -36.610 85.395 1.00 0.00 C ATOM 1615 NZ LYS A 105 -58.778 -35.133 85.412 1.00 0.00 N ATOM 0 H LYS A 105 -58.267 -36.335 80.167 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.057 -36.840 79.880 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -61.707 -36.435 82.297 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -60.918 -37.980 82.051 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -58.716 -36.943 82.722 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -59.535 -35.420 83.009 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -61.019 -36.525 84.705 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -60.233 -38.062 84.404 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -59.225 -36.964 86.393 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -58.037 -37.102 85.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -57.838 -34.900 85.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -59.509 -34.682 84.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -58.854 -34.784 86.389 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.385 -34.347 81.012 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.491 -32.850 80.985 1.00 0.00 C ATOM 1631 C LEU A 106 -61.484 -32.343 82.433 1.00 0.00 C ATOM 1632 O LEU A 106 -61.762 -33.080 83.358 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.808 -32.433 80.320 1.00 0.00 C ATOM 1634 CG LEU A 106 -63.044 -33.191 79.004 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.364 -32.702 78.402 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.919 -32.931 77.996 1.00 0.00 C ATOM 0 H LEU A 106 -62.181 -34.827 81.432 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.657 -32.430 80.423 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.636 -32.622 81.003 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.794 -31.361 80.125 1.00 0.00 H new ATOM 0 HG LEU A 106 -63.072 -34.260 79.216 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.553 -33.227 77.466 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -65.178 -32.900 79.100 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.302 -31.631 78.212 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -62.119 -33.483 77.077 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.868 -31.865 77.775 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.969 -33.260 78.418 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.164 -31.086 82.589 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.118 -30.437 83.945 1.00 0.00 C ATOM 1650 C GLU A 107 -61.998 -29.180 83.906 1.00 0.00 C ATOM 1651 O GLU A 107 -62.935 -29.153 84.687 1.00 0.00 O ATOM 1652 CB GLU A 107 -59.627 -30.079 84.276 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.038 -31.029 85.338 1.00 0.00 C ATOM 1654 CD GLU A 107 -57.597 -30.607 85.653 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -57.161 -29.643 85.045 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -57.015 -31.280 86.488 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.679 -28.325 83.096 1.00 0.00 O ATOM 0 H GLU A 107 -60.926 -30.462 81.818 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.494 -31.104 84.721 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.029 -30.133 83.367 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -59.570 -29.051 84.634 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.644 -31.001 86.244 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -59.057 -32.056 84.974 1.00 0.00 H new