USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 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 USER MOD Set 1.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 66 MET CE :methyl -159:sc= -2.14 (180deg=-2.61) USER MOD Set 2.3: A 70 GLN : amide:sc= 0.139 X(o=-2,f=-1.6) USER MOD Single : A 3 GLN : amide:sc= -4.51! C(o=-4.5!,f=-14!) 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= -0.677 K(o=-0.68,f=-0.018) USER MOD Single : A 22 CYS SG : rot 134:sc= -1.3 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.016) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.138 (180deg=-0.749) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.7! K(o=-2.7!,f=-0.94) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0932 (180deg=-0.568) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 119:sc= -0.233! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 36:sc= 0.467 USER MOD Single : A 105 LYS NZ :NH3+ -102:sc= -2.75! (180deg=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.131 -31.784 59.997 1.00 0.00 N ATOM 11 CA VAL A 2 -51.970 -32.768 61.119 1.00 0.00 C ATOM 12 C VAL A 2 -52.761 -34.013 60.721 1.00 0.00 C ATOM 13 O VAL A 2 -53.847 -33.911 60.185 1.00 0.00 O ATOM 14 CB VAL A 2 -52.543 -32.141 62.405 1.00 0.00 C ATOM 15 CG1 VAL A 2 -54.052 -31.871 62.253 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.350 -33.072 63.627 1.00 0.00 C ATOM 0 HA VAL A 2 -50.927 -33.027 61.301 1.00 0.00 H new ATOM 0 HB VAL A 2 -52.002 -31.208 62.566 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.437 -31.428 63.172 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.217 -31.184 61.423 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.571 -32.809 62.057 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.766 -32.597 64.516 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.861 -34.018 63.448 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -51.287 -33.257 63.779 1.00 0.00 H new ATOM 26 N GLN A 3 -52.210 -35.171 60.980 1.00 0.00 N ATOM 27 CA GLN A 3 -52.920 -36.444 60.625 1.00 0.00 C ATOM 28 C GLN A 3 -53.217 -37.148 61.941 1.00 0.00 C ATOM 29 O GLN A 3 -52.585 -36.884 62.946 1.00 0.00 O ATOM 30 CB GLN A 3 -52.033 -37.362 59.771 1.00 0.00 C ATOM 31 CG GLN A 3 -51.729 -36.754 58.388 1.00 0.00 C ATOM 32 CD GLN A 3 -50.652 -35.666 58.475 1.00 0.00 C ATOM 33 OE1 GLN A 3 -50.831 -34.620 59.066 1.00 0.00 O ATOM 34 NE2 GLN A 3 -49.506 -35.879 57.890 1.00 0.00 N ATOM 0 H GLN A 3 -51.299 -35.294 61.422 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.820 -36.221 60.051 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.097 -37.552 60.296 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -52.527 -38.325 59.642 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -51.399 -37.540 57.709 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -52.641 -36.331 57.967 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -49.343 -36.753 57.390 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -48.773 -35.171 57.932 1.00 0.00 H new ATOM 43 N VAL A 4 -54.175 -38.038 61.907 1.00 0.00 N ATOM 44 CA VAL A 4 -54.575 -38.806 63.134 1.00 0.00 C ATOM 45 C VAL A 4 -54.494 -40.313 62.860 1.00 0.00 C ATOM 46 O VAL A 4 -55.121 -40.815 61.948 1.00 0.00 O ATOM 47 CB VAL A 4 -56.015 -38.464 63.498 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.414 -39.151 64.812 1.00 0.00 C ATOM 49 CG2 VAL A 4 -56.190 -36.950 63.613 1.00 0.00 C ATOM 0 H VAL A 4 -54.708 -38.272 61.069 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.901 -38.540 63.949 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.668 -38.829 62.705 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.445 -38.896 65.057 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.324 -40.231 64.700 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.756 -38.814 65.613 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -57.224 -36.722 63.873 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -55.527 -36.565 64.388 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.944 -36.482 62.660 1.00 0.00 H new ATOM 59 N GLU A 5 -53.725 -41.002 63.655 1.00 0.00 N ATOM 60 CA GLU A 5 -53.563 -42.487 63.506 1.00 0.00 C ATOM 61 C GLU A 5 -53.913 -43.052 64.880 1.00 0.00 C ATOM 62 O GLU A 5 -53.059 -43.204 65.731 1.00 0.00 O ATOM 63 CB GLU A 5 -52.111 -42.828 63.137 1.00 0.00 C ATOM 64 CG GLU A 5 -51.789 -42.293 61.736 1.00 0.00 C ATOM 65 CD GLU A 5 -51.884 -40.766 61.729 1.00 0.00 C ATOM 66 OE1 GLU A 5 -51.146 -40.175 62.500 1.00 0.00 O ATOM 67 OE2 GLU A 5 -52.691 -40.281 60.952 1.00 0.00 O ATOM 0 H GLU A 5 -53.188 -40.595 64.420 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.194 -42.899 62.718 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.429 -42.393 63.868 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -51.963 -43.908 63.166 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -50.788 -42.605 61.439 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -52.483 -42.713 61.008 1.00 0.00 H new ATOM 74 N THR A 6 -55.169 -43.353 65.071 1.00 0.00 N ATOM 75 CA THR A 6 -55.582 -43.899 66.394 1.00 0.00 C ATOM 76 C THR A 6 -55.069 -45.310 66.664 1.00 0.00 C ATOM 77 O THR A 6 -54.786 -46.080 65.767 1.00 0.00 O ATOM 78 CB THR A 6 -57.115 -43.877 66.461 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.447 -42.508 66.282 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.625 -44.197 67.874 1.00 0.00 C ATOM 0 H THR A 6 -55.914 -43.247 64.382 1.00 0.00 H new ATOM 0 HA THR A 6 -55.137 -43.270 67.165 1.00 0.00 H new ATOM 0 HB THR A 6 -57.529 -44.586 65.744 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.421 -42.401 66.310 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.715 -44.172 67.882 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.283 -45.189 68.168 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.240 -43.457 68.576 1.00 0.00 H new ATOM 88 N ILE A 7 -54.971 -45.591 67.937 1.00 0.00 N ATOM 89 CA ILE A 7 -54.490 -46.916 68.436 1.00 0.00 C ATOM 90 C ILE A 7 -55.584 -47.507 69.324 1.00 0.00 C ATOM 91 O ILE A 7 -56.018 -48.625 69.123 1.00 0.00 O ATOM 92 CB ILE A 7 -53.207 -46.723 69.264 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.159 -45.993 68.390 1.00 0.00 C ATOM 94 CG2 ILE A 7 -52.687 -48.135 69.629 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.015 -45.448 69.262 1.00 0.00 C ATOM 0 H ILE A 7 -55.213 -44.933 68.678 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.273 -47.581 67.600 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.393 -46.136 70.163 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -51.759 -46.678 67.643 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.634 -45.174 67.850 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -51.775 -48.046 70.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.444 -48.663 70.209 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.476 -48.692 68.716 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.288 -44.938 68.631 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.417 -44.746 69.992 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.529 -46.274 69.782 1.00 0.00 H new ATOM 107 N SER A 8 -56.013 -46.737 70.297 1.00 0.00 N ATOM 108 CA SER A 8 -57.086 -47.211 71.242 1.00 0.00 C ATOM 109 C SER A 8 -58.295 -46.266 71.250 1.00 0.00 C ATOM 110 O SER A 8 -58.413 -45.441 72.135 1.00 0.00 O ATOM 111 CB SER A 8 -56.513 -47.293 72.654 1.00 0.00 C ATOM 112 OG SER A 8 -55.389 -48.149 72.513 1.00 0.00 O ATOM 0 H SER A 8 -55.667 -45.795 70.481 1.00 0.00 H new ATOM 0 HA SER A 8 -57.421 -48.191 70.903 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.223 -46.310 73.026 1.00 0.00 H new ATOM 0 HB3 SER A 8 -57.240 -47.699 73.358 1.00 0.00 H new ATOM 0 HG SER A 8 -54.951 -48.260 73.383 1.00 0.00 H new ATOM 118 N PRO A 9 -59.163 -46.392 70.278 1.00 0.00 N ATOM 119 CA PRO A 9 -60.371 -45.542 70.179 1.00 0.00 C ATOM 120 C PRO A 9 -60.996 -45.259 71.550 1.00 0.00 C ATOM 121 O PRO A 9 -60.701 -45.919 72.525 1.00 0.00 O ATOM 122 CB PRO A 9 -61.260 -46.327 69.223 1.00 0.00 C ATOM 123 CG PRO A 9 -60.218 -46.905 68.234 1.00 0.00 C ATOM 124 CD PRO A 9 -59.086 -47.381 69.168 1.00 0.00 C ATOM 0 HA PRO A 9 -60.176 -44.536 69.808 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -61.819 -47.111 69.734 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -61.989 -45.689 68.724 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -60.630 -47.726 67.647 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -59.869 -46.151 67.528 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.248 -48.400 69.518 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.115 -47.364 68.673 1.00 0.00 H new ATOM 132 N GLY A 10 -61.852 -44.271 71.584 1.00 0.00 N ATOM 133 CA GLY A 10 -62.552 -43.877 72.851 1.00 0.00 C ATOM 134 C GLY A 10 -64.041 -44.038 72.556 1.00 0.00 C ATOM 135 O GLY A 10 -64.394 -44.445 71.467 1.00 0.00 O ATOM 0 H GLY A 10 -62.103 -43.707 70.772 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.245 -44.511 73.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.315 -42.850 73.128 1.00 0.00 H new ATOM 139 N ASP A 11 -64.897 -43.734 73.495 1.00 0.00 N ATOM 140 CA ASP A 11 -66.350 -43.887 73.221 1.00 0.00 C ATOM 141 C ASP A 11 -66.718 -43.301 71.851 1.00 0.00 C ATOM 142 O ASP A 11 -67.243 -43.983 70.992 1.00 0.00 O ATOM 143 CB ASP A 11 -67.120 -43.188 74.342 1.00 0.00 C ATOM 144 CG ASP A 11 -66.668 -41.735 74.438 1.00 0.00 C ATOM 145 OD1 ASP A 11 -65.471 -41.543 74.573 1.00 0.00 O ATOM 146 OD2 ASP A 11 -67.555 -40.904 74.373 1.00 0.00 O ATOM 0 H ASP A 11 -64.656 -43.392 74.425 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.613 -44.944 73.193 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -68.191 -43.235 74.146 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.947 -43.698 75.290 1.00 0.00 H new ATOM 151 N GLY A 12 -66.429 -42.035 71.689 1.00 0.00 N ATOM 152 CA GLY A 12 -66.725 -41.322 70.405 1.00 0.00 C ATOM 153 C GLY A 12 -67.882 -40.360 70.642 1.00 0.00 C ATOM 154 O GLY A 12 -68.400 -39.748 69.729 1.00 0.00 O ATOM 0 H GLY A 12 -65.993 -41.453 72.404 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -65.845 -40.778 70.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -66.982 -42.038 69.624 1.00 0.00 H new ATOM 158 N ARG A 13 -68.257 -40.257 71.891 1.00 0.00 N ATOM 159 CA ARG A 13 -69.382 -39.364 72.322 1.00 0.00 C ATOM 160 C ARG A 13 -68.875 -38.168 73.143 1.00 0.00 C ATOM 161 O ARG A 13 -69.476 -37.113 73.087 1.00 0.00 O ATOM 162 CB ARG A 13 -70.390 -40.187 73.173 1.00 0.00 C ATOM 163 CG ARG A 13 -71.348 -41.037 72.306 1.00 0.00 C ATOM 164 CD ARG A 13 -70.595 -41.905 71.299 1.00 0.00 C ATOM 165 NE ARG A 13 -71.554 -42.925 70.760 1.00 0.00 N ATOM 166 CZ ARG A 13 -71.319 -44.206 70.878 1.00 0.00 C ATOM 167 NH1 ARG A 13 -70.656 -44.634 71.917 1.00 0.00 N ATOM 168 NH2 ARG A 13 -71.757 -45.013 69.951 1.00 0.00 N ATOM 0 H ARG A 13 -67.818 -40.770 72.655 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.868 -38.974 71.428 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.839 -40.842 73.848 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -70.974 -39.508 73.794 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.952 -41.674 72.952 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -72.035 -40.379 71.774 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -70.196 -41.292 70.491 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -69.746 -42.394 71.777 1.00 0.00 H new ATOM 0 HE ARG A 13 -72.405 -42.613 70.293 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -70.330 -43.973 72.622 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -70.464 -45.630 72.025 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -72.272 -44.641 69.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -71.584 -46.016 70.024 1.00 0.00 H new ATOM 182 N THR A 14 -67.801 -38.318 73.887 1.00 0.00 N ATOM 183 CA THR A 14 -67.284 -37.169 74.708 1.00 0.00 C ATOM 184 C THR A 14 -65.941 -36.638 74.212 1.00 0.00 C ATOM 185 O THR A 14 -65.028 -37.386 73.927 1.00 0.00 O ATOM 186 CB THR A 14 -67.138 -37.649 76.123 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.449 -38.034 76.508 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.774 -36.498 77.063 1.00 0.00 C ATOM 0 H THR A 14 -67.262 -39.181 73.962 1.00 0.00 H new ATOM 0 HA THR A 14 -67.993 -36.345 74.628 1.00 0.00 H new ATOM 0 HB THR A 14 -66.377 -38.427 76.178 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.435 -38.364 77.431 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.675 -36.876 78.080 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.829 -36.055 76.747 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.558 -35.741 77.032 1.00 0.00 H new ATOM 196 N PHE A 15 -65.868 -35.332 74.128 1.00 0.00 N ATOM 197 CA PHE A 15 -64.630 -34.623 73.666 1.00 0.00 C ATOM 198 C PHE A 15 -64.328 -33.506 74.675 1.00 0.00 C ATOM 199 O PHE A 15 -65.099 -33.328 75.596 1.00 0.00 O ATOM 200 CB PHE A 15 -64.907 -34.044 72.296 1.00 0.00 C ATOM 201 CG PHE A 15 -65.356 -35.180 71.383 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.670 -35.607 71.411 1.00 0.00 C ATOM 203 CD2 PHE A 15 -64.460 -35.787 70.530 1.00 0.00 C ATOM 204 CE1 PHE A 15 -67.085 -36.633 70.587 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.874 -36.815 69.705 1.00 0.00 C ATOM 206 CZ PHE A 15 -66.186 -37.238 69.734 1.00 0.00 C ATOM 0 H PHE A 15 -66.639 -34.708 74.368 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.774 -35.295 73.603 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.679 -33.277 72.356 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -64.012 -33.566 71.897 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -67.375 -35.136 72.080 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -63.432 -35.458 70.506 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -68.113 -36.962 70.610 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -64.169 -37.288 69.037 1.00 0.00 H new ATOM 0 HZ PHE A 15 -66.509 -38.042 69.090 1.00 0.00 H new ATOM 216 N PRO A 16 -63.251 -32.772 74.516 1.00 0.00 N ATOM 217 CA PRO A 16 -63.127 -31.450 75.185 1.00 0.00 C ATOM 218 C PRO A 16 -64.056 -30.423 74.518 1.00 0.00 C ATOM 219 O PRO A 16 -64.261 -30.462 73.322 1.00 0.00 O ATOM 220 CB PRO A 16 -61.636 -31.083 75.047 1.00 0.00 C ATOM 221 CG PRO A 16 -60.961 -32.422 74.637 1.00 0.00 C ATOM 222 CD PRO A 16 -62.019 -33.102 73.744 1.00 0.00 C ATOM 0 HA PRO A 16 -63.428 -31.468 76.233 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.482 -30.310 74.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -61.230 -30.700 75.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -60.029 -32.253 74.097 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.719 -33.032 75.507 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -62.037 -32.694 72.733 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.859 -34.176 73.651 1.00 0.00 H new ATOM 230 N LYS A 17 -64.597 -29.525 75.301 1.00 0.00 N ATOM 231 CA LYS A 17 -65.508 -28.473 74.784 1.00 0.00 C ATOM 232 C LYS A 17 -64.932 -27.097 75.122 1.00 0.00 C ATOM 233 O LYS A 17 -64.006 -26.963 75.902 1.00 0.00 O ATOM 234 CB LYS A 17 -66.828 -28.649 75.447 1.00 0.00 C ATOM 235 CG LYS A 17 -67.436 -29.992 75.034 1.00 0.00 C ATOM 236 CD LYS A 17 -68.808 -30.131 75.698 1.00 0.00 C ATOM 237 CE LYS A 17 -69.428 -31.463 75.267 1.00 0.00 C ATOM 238 NZ LYS A 17 -70.770 -31.623 75.893 1.00 0.00 N ATOM 0 H LYS A 17 -64.436 -29.481 76.307 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.618 -28.550 73.702 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.710 -28.609 76.530 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -67.497 -27.835 75.169 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.533 -30.046 73.950 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.784 -30.812 75.337 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.709 -30.094 76.783 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -69.454 -29.302 75.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -69.517 -31.498 74.181 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -68.779 -32.288 75.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -71.186 -32.529 75.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -70.674 -31.608 76.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -71.389 -30.843 75.592 1.00 0.00 H new ATOM 252 N ARG A 18 -65.514 -26.095 74.525 1.00 0.00 N ATOM 253 CA ARG A 18 -65.043 -24.720 74.772 1.00 0.00 C ATOM 254 C ARG A 18 -65.398 -24.335 76.205 1.00 0.00 C ATOM 255 O ARG A 18 -66.523 -24.502 76.629 1.00 0.00 O ATOM 256 CB ARG A 18 -65.724 -23.742 73.772 1.00 0.00 C ATOM 257 CG ARG A 18 -67.186 -23.366 74.153 1.00 0.00 C ATOM 258 CD ARG A 18 -68.131 -24.578 74.169 1.00 0.00 C ATOM 259 NE ARG A 18 -68.215 -25.131 72.775 1.00 0.00 N ATOM 260 CZ ARG A 18 -69.360 -25.212 72.144 1.00 0.00 C ATOM 261 NH1 ARG A 18 -70.296 -24.347 72.427 1.00 0.00 N ATOM 262 NH2 ARG A 18 -69.531 -26.153 71.257 1.00 0.00 N ATOM 0 H ARG A 18 -66.297 -26.177 73.876 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.964 -24.664 74.631 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -65.130 -22.830 73.709 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -65.722 -24.193 72.780 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -67.190 -22.896 75.136 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -67.562 -22.628 73.445 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -67.761 -25.338 74.857 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -69.120 -24.284 74.521 1.00 0.00 H new ATOM 0 HE ARG A 18 -67.364 -25.449 72.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -70.128 -23.625 73.128 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -71.195 -24.393 71.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -68.778 -26.813 71.063 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -70.417 -26.228 70.758 1.00 0.00 H new ATOM 276 N GLY A 19 -64.444 -23.828 76.941 1.00 0.00 N ATOM 277 CA GLY A 19 -64.728 -23.428 78.357 1.00 0.00 C ATOM 278 C GLY A 19 -64.035 -24.382 79.327 1.00 0.00 C ATOM 279 O GLY A 19 -63.786 -24.030 80.463 1.00 0.00 O ATOM 0 H GLY A 19 -63.486 -23.673 76.628 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -64.383 -22.409 78.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.803 -23.435 78.535 1.00 0.00 H new ATOM 283 N GLN A 20 -63.730 -25.575 78.876 1.00 0.00 N ATOM 284 CA GLN A 20 -63.050 -26.568 79.782 1.00 0.00 C ATOM 285 C GLN A 20 -61.572 -26.734 79.432 1.00 0.00 C ATOM 286 O GLN A 20 -61.060 -26.141 78.503 1.00 0.00 O ATOM 287 CB GLN A 20 -63.718 -27.932 79.655 1.00 0.00 C ATOM 288 CG GLN A 20 -65.200 -27.831 80.007 1.00 0.00 C ATOM 289 CD GLN A 20 -65.789 -29.242 79.940 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.438 -30.110 80.714 1.00 0.00 O ATOM 291 NE2 GLN A 20 -66.682 -29.516 79.030 1.00 0.00 N ATOM 0 H GLN A 20 -63.918 -25.907 77.930 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.136 -26.185 80.799 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.604 -28.307 78.638 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -63.228 -28.647 80.316 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.329 -27.409 81.004 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.714 -27.168 79.311 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -66.982 -28.793 78.376 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -67.080 -30.453 78.972 1.00 0.00 H new ATOM 300 N THR A 21 -60.936 -27.562 80.214 1.00 0.00 N ATOM 301 CA THR A 21 -59.485 -27.861 80.035 1.00 0.00 C ATOM 302 C THR A 21 -59.409 -29.329 79.611 1.00 0.00 C ATOM 303 O THR A 21 -60.345 -30.075 79.813 1.00 0.00 O ATOM 304 CB THR A 21 -58.784 -27.642 81.368 1.00 0.00 C ATOM 305 OG1 THR A 21 -59.083 -26.292 81.693 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.265 -27.649 81.211 1.00 0.00 C ATOM 0 H THR A 21 -61.373 -28.058 80.991 1.00 0.00 H new ATOM 0 HA THR A 21 -59.007 -27.224 79.291 1.00 0.00 H new ATOM 0 HB THR A 21 -59.092 -28.406 82.082 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.667 -26.062 82.550 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.798 -27.490 82.183 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.945 -28.610 80.808 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.966 -26.852 80.530 1.00 0.00 H new ATOM 314 N CYS A 22 -58.292 -29.690 79.046 1.00 0.00 N ATOM 315 CA CYS A 22 -58.056 -31.086 78.575 1.00 0.00 C ATOM 316 C CYS A 22 -56.972 -31.612 79.499 1.00 0.00 C ATOM 317 O CYS A 22 -56.126 -30.869 79.952 1.00 0.00 O ATOM 318 CB CYS A 22 -57.552 -31.057 77.136 1.00 0.00 C ATOM 319 SG CYS A 22 -58.591 -30.245 75.897 1.00 0.00 S ATOM 0 H CYS A 22 -57.508 -29.057 78.886 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.955 -31.703 78.595 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.579 -30.566 77.131 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.391 -32.087 76.816 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.859 -29.460 75.164 1.00 0.00 H new ATOM 325 N VAL A 23 -57.024 -32.887 79.757 1.00 0.00 N ATOM 326 CA VAL A 23 -56.026 -33.551 80.648 1.00 0.00 C ATOM 327 C VAL A 23 -55.421 -34.621 79.758 1.00 0.00 C ATOM 328 O VAL A 23 -56.051 -35.628 79.493 1.00 0.00 O ATOM 329 CB VAL A 23 -56.795 -34.111 81.843 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.848 -34.805 82.804 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.413 -32.915 82.564 1.00 0.00 C ATOM 0 H VAL A 23 -57.734 -33.515 79.379 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.241 -32.914 81.055 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.544 -34.828 81.508 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.412 -35.198 83.650 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.345 -35.624 82.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -55.106 -34.091 83.163 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.976 -33.263 83.430 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.623 -32.240 82.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.082 -32.387 81.885 1.00 0.00 H new ATOM 341 N VAL A 24 -54.211 -34.359 79.314 1.00 0.00 N ATOM 342 CA VAL A 24 -53.468 -35.306 78.409 1.00 0.00 C ATOM 343 C VAL A 24 -52.105 -35.814 78.925 1.00 0.00 C ATOM 344 O VAL A 24 -51.399 -35.147 79.657 1.00 0.00 O ATOM 345 CB VAL A 24 -53.235 -34.586 77.032 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.539 -33.936 76.584 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.202 -33.378 77.058 1.00 0.00 C ATOM 0 H VAL A 24 -53.695 -33.510 79.545 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.098 -36.193 78.340 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.852 -35.374 76.384 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.386 -33.434 75.629 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.307 -34.701 76.473 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.857 -33.208 77.330 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.115 -32.952 76.058 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.555 -32.612 77.749 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.227 -33.740 77.384 1.00 0.00 H new ATOM 357 N HIS A 25 -51.802 -37.014 78.496 1.00 0.00 N ATOM 358 CA HIS A 25 -50.518 -37.714 78.849 1.00 0.00 C ATOM 359 C HIS A 25 -49.948 -38.154 77.514 1.00 0.00 C ATOM 360 O HIS A 25 -50.544 -38.940 76.805 1.00 0.00 O ATOM 361 CB HIS A 25 -50.765 -38.969 79.754 1.00 0.00 C ATOM 362 CG HIS A 25 -49.591 -39.962 79.687 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.359 -39.688 79.964 1.00 0.00 N ATOM 364 CD2 HIS A 25 -49.573 -41.300 79.333 1.00 0.00 C ATOM 365 CE1 HIS A 25 -47.632 -40.748 79.800 1.00 0.00 C ATOM 366 NE2 HIS A 25 -48.346 -41.774 79.409 1.00 0.00 N ATOM 0 H HIS A 25 -52.414 -37.562 77.891 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.853 -37.059 79.411 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.913 -38.650 80.786 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.682 -39.468 79.441 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -50.440 -41.873 79.037 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.565 -40.781 79.966 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -48.026 -42.722 79.209 1.00 0.00 H new ATOM 374 N TYR A 26 -48.794 -37.634 77.192 1.00 0.00 N ATOM 375 CA TYR A 26 -48.137 -37.990 75.895 1.00 0.00 C ATOM 376 C TYR A 26 -46.651 -38.316 75.999 1.00 0.00 C ATOM 377 O TYR A 26 -46.015 -38.191 77.027 1.00 0.00 O ATOM 378 CB TYR A 26 -48.286 -36.838 74.964 1.00 0.00 C ATOM 379 CG TYR A 26 -47.589 -35.634 75.598 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.287 -34.787 76.434 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.254 -35.376 75.333 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.654 -33.703 76.983 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.625 -34.283 75.898 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.328 -33.437 76.728 1.00 0.00 C ATOM 385 OH TYR A 26 -45.713 -32.340 77.294 1.00 0.00 O ATOM 0 H TYR A 26 -48.274 -36.975 77.772 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.631 -38.896 75.544 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.843 -37.070 73.995 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.340 -36.621 74.789 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.327 -34.977 76.655 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -45.700 -36.034 74.680 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.209 -33.041 77.632 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.583 -34.092 75.689 1.00 0.00 H new ATOM 0 HH TYR A 26 -44.777 -32.306 77.007 1.00 0.00 H new ATOM 395 N THR A 27 -46.168 -38.736 74.863 1.00 0.00 N ATOM 396 CA THR A 27 -44.743 -39.108 74.684 1.00 0.00 C ATOM 397 C THR A 27 -44.420 -38.514 73.311 1.00 0.00 C ATOM 398 O THR A 27 -45.068 -38.850 72.338 1.00 0.00 O ATOM 399 CB THR A 27 -44.620 -40.620 74.677 1.00 0.00 C ATOM 400 OG1 THR A 27 -45.061 -41.013 75.968 1.00 0.00 O ATOM 401 CG2 THR A 27 -43.151 -41.045 74.624 1.00 0.00 C ATOM 0 H THR A 27 -46.731 -38.839 74.018 1.00 0.00 H new ATOM 0 HA THR A 27 -44.074 -38.750 75.466 1.00 0.00 H new ATOM 0 HB THR A 27 -45.165 -41.044 73.834 1.00 0.00 H new ATOM 0 HG1 THR A 27 -45.014 -41.989 76.047 1.00 0.00 H new ATOM 0 HG21 THR A 27 -43.087 -42.133 74.620 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.691 -40.651 73.718 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.627 -40.654 75.496 1.00 0.00 H new ATOM 409 N GLY A 28 -43.442 -37.646 73.235 1.00 0.00 N ATOM 410 CA GLY A 28 -43.082 -37.027 71.913 1.00 0.00 C ATOM 411 C GLY A 28 -41.710 -37.471 71.420 1.00 0.00 C ATOM 412 O GLY A 28 -40.766 -37.601 72.174 1.00 0.00 O ATOM 0 H GLY A 28 -42.877 -37.337 74.026 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.836 -37.294 71.172 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -43.098 -35.941 72.007 1.00 0.00 H new ATOM 416 N MET A 29 -41.657 -37.692 70.133 1.00 0.00 N ATOM 417 CA MET A 29 -40.407 -38.133 69.453 1.00 0.00 C ATOM 418 C MET A 29 -40.293 -37.351 68.148 1.00 0.00 C ATOM 419 O MET A 29 -41.178 -36.602 67.776 1.00 0.00 O ATOM 420 CB MET A 29 -40.489 -39.634 69.161 1.00 0.00 C ATOM 421 CG MET A 29 -40.640 -40.391 70.484 1.00 0.00 C ATOM 422 SD MET A 29 -40.733 -42.196 70.402 1.00 0.00 S ATOM 423 CE MET A 29 -42.531 -42.337 70.232 1.00 0.00 C ATOM 0 H MET A 29 -42.455 -37.581 69.507 1.00 0.00 H new ATOM 0 HA MET A 29 -39.535 -37.950 70.081 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.336 -39.845 68.508 1.00 0.00 H new ATOM 0 HB3 MET A 29 -39.592 -39.965 68.638 1.00 0.00 H new ATOM 0 HG2 MET A 29 -39.797 -40.125 71.122 1.00 0.00 H new ATOM 0 HG3 MET A 29 -41.541 -40.029 70.979 1.00 0.00 H new ATOM 0 HE1 MET A 29 -42.809 -43.389 70.164 1.00 0.00 H new ATOM 0 HE2 MET A 29 -43.015 -41.890 71.100 1.00 0.00 H new ATOM 0 HE3 MET A 29 -42.853 -41.818 69.329 1.00 0.00 H new ATOM 694 N PHE A 46 -50.042 -33.701 81.669 1.00 0.00 N ATOM 695 CA PHE A 46 -50.069 -32.316 81.124 1.00 0.00 C ATOM 696 C PHE A 46 -51.532 -31.848 80.938 1.00 0.00 C ATOM 697 O PHE A 46 -52.393 -32.658 80.655 1.00 0.00 O ATOM 698 CB PHE A 46 -49.326 -32.412 79.853 1.00 0.00 C ATOM 699 CG PHE A 46 -49.164 -31.053 79.226 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.314 -30.160 79.830 1.00 0.00 C ATOM 701 CD2 PHE A 46 -49.855 -30.700 78.097 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.146 -28.895 79.315 1.00 0.00 C ATOM 703 CE2 PHE A 46 -49.691 -29.438 77.584 1.00 0.00 C ATOM 704 CZ PHE A 46 -48.841 -28.531 78.184 1.00 0.00 C ATOM 0 HA PHE A 46 -49.616 -31.575 81.782 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.346 -32.854 80.032 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.854 -33.074 79.167 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -47.772 -30.453 80.717 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.519 -31.404 77.618 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.476 -28.195 79.793 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.235 -29.150 76.697 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.722 -27.541 77.768 1.00 0.00 H new ATOM 714 N LYS A 47 -51.808 -30.570 81.094 1.00 0.00 N ATOM 715 CA LYS A 47 -53.228 -30.069 80.927 1.00 0.00 C ATOM 716 C LYS A 47 -53.335 -28.679 80.243 1.00 0.00 C ATOM 717 O LYS A 47 -52.606 -27.778 80.607 1.00 0.00 O ATOM 718 CB LYS A 47 -53.876 -29.969 82.313 1.00 0.00 C ATOM 719 CG LYS A 47 -53.526 -31.197 83.164 1.00 0.00 C ATOM 720 CD LYS A 47 -54.210 -31.034 84.525 1.00 0.00 C ATOM 721 CE LYS A 47 -53.789 -32.189 85.439 1.00 0.00 C ATOM 722 NZ LYS A 47 -54.446 -32.045 86.768 1.00 0.00 N ATOM 0 H LYS A 47 -51.122 -29.853 81.328 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.733 -30.783 80.277 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.535 -29.063 82.815 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.958 -29.888 82.209 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -53.863 -32.110 82.674 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.446 -31.281 83.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -53.933 -30.080 84.973 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -55.293 -31.027 84.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -54.066 -33.142 84.988 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -52.705 -32.195 85.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -54.157 -32.831 87.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -54.161 -31.143 87.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -55.479 -32.060 86.648 1.00 0.00 H new ATOM 736 N PHE A 48 -54.217 -28.501 79.280 1.00 0.00 N ATOM 737 CA PHE A 48 -54.336 -27.144 78.618 1.00 0.00 C ATOM 738 C PHE A 48 -55.774 -26.797 78.235 1.00 0.00 C ATOM 739 O PHE A 48 -56.666 -27.608 78.348 1.00 0.00 O ATOM 740 CB PHE A 48 -53.467 -27.089 77.352 1.00 0.00 C ATOM 741 CG PHE A 48 -54.036 -27.940 76.209 1.00 0.00 C ATOM 742 CD1 PHE A 48 -55.068 -27.487 75.406 1.00 0.00 C ATOM 743 CD2 PHE A 48 -53.500 -29.180 75.962 1.00 0.00 C ATOM 744 CE1 PHE A 48 -55.542 -28.278 74.373 1.00 0.00 C ATOM 745 CE2 PHE A 48 -53.964 -29.965 74.942 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.983 -29.518 74.149 1.00 0.00 C ATOM 0 H PHE A 48 -54.850 -29.218 78.926 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.994 -26.415 79.352 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.379 -26.054 77.021 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.461 -27.434 77.591 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -55.504 -26.515 75.585 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -52.696 -29.543 76.585 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -56.347 -27.925 73.745 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -53.526 -30.936 74.764 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.351 -30.138 73.345 1.00 0.00 H new ATOM 756 N MET A 49 -55.977 -25.585 77.780 1.00 0.00 N ATOM 757 CA MET A 49 -57.354 -25.139 77.380 1.00 0.00 C ATOM 758 C MET A 49 -57.492 -24.797 75.897 1.00 0.00 C ATOM 759 O MET A 49 -56.563 -24.347 75.256 1.00 0.00 O ATOM 760 CB MET A 49 -57.693 -23.945 78.215 1.00 0.00 C ATOM 761 CG MET A 49 -59.099 -23.406 77.910 1.00 0.00 C ATOM 762 SD MET A 49 -59.697 -22.057 78.959 1.00 0.00 S ATOM 763 CE MET A 49 -60.418 -23.085 80.263 1.00 0.00 C ATOM 0 H MET A 49 -55.248 -24.881 77.667 1.00 0.00 H new ATOM 0 HA MET A 49 -58.041 -25.969 77.547 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.628 -24.211 79.270 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.958 -23.160 78.039 1.00 0.00 H new ATOM 0 HG2 MET A 49 -59.116 -23.065 76.875 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.804 -24.234 77.985 1.00 0.00 H new ATOM 0 HE1 MET A 49 -60.853 -22.446 81.031 1.00 0.00 H new ATOM 0 HE2 MET A 49 -61.194 -23.721 79.838 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.641 -23.708 80.706 1.00 0.00 H new ATOM 773 N LEU A 50 -58.681 -25.029 75.397 1.00 0.00 N ATOM 774 CA LEU A 50 -59.025 -24.763 73.979 1.00 0.00 C ATOM 775 C LEU A 50 -59.574 -23.341 73.852 1.00 0.00 C ATOM 776 O LEU A 50 -60.567 -22.994 74.460 1.00 0.00 O ATOM 777 CB LEU A 50 -60.063 -25.786 73.579 1.00 0.00 C ATOM 778 CG LEU A 50 -60.650 -25.505 72.195 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.560 -25.427 71.139 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.584 -26.650 71.840 1.00 0.00 C ATOM 0 H LEU A 50 -59.454 -25.408 75.944 1.00 0.00 H new ATOM 0 HA LEU A 50 -58.154 -24.842 73.328 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.613 -26.779 73.586 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.865 -25.794 74.317 1.00 0.00 H new ATOM 0 HG LEU A 50 -61.175 -24.550 72.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -60.009 -25.226 70.166 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.866 -24.625 71.391 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -59.021 -26.374 71.101 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -62.017 -26.474 70.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -61.025 -27.586 71.829 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.381 -26.713 72.581 1.00 0.00 H new ATOM 792 N GLY A 51 -58.907 -22.550 73.060 1.00 0.00 N ATOM 793 CA GLY A 51 -59.334 -21.129 72.846 1.00 0.00 C ATOM 794 C GLY A 51 -58.430 -20.237 73.698 1.00 0.00 C ATOM 795 O GLY A 51 -58.743 -19.099 73.982 1.00 0.00 O ATOM 0 H GLY A 51 -58.072 -22.826 72.543 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -59.253 -20.860 71.793 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.378 -20.997 73.129 1.00 0.00 H new ATOM 799 N LYS A 52 -57.317 -20.805 74.080 1.00 0.00 N ATOM 800 CA LYS A 52 -56.301 -20.093 74.923 1.00 0.00 C ATOM 801 C LYS A 52 -54.964 -20.048 74.178 1.00 0.00 C ATOM 802 O LYS A 52 -54.109 -19.239 74.476 1.00 0.00 O ATOM 803 CB LYS A 52 -56.147 -20.851 76.244 1.00 0.00 C ATOM 804 CG LYS A 52 -55.156 -20.107 77.143 1.00 0.00 C ATOM 805 CD LYS A 52 -55.059 -20.849 78.478 1.00 0.00 C ATOM 806 CE LYS A 52 -54.075 -20.103 79.381 1.00 0.00 C ATOM 807 NZ LYS A 52 -52.734 -20.050 78.733 1.00 0.00 N ATOM 0 H LYS A 52 -57.059 -21.762 73.837 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.623 -19.071 75.125 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -57.113 -20.937 76.742 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.794 -21.865 76.056 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -54.177 -20.056 76.666 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.487 -19.081 77.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -56.039 -20.905 78.952 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -54.723 -21.874 78.318 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -54.437 -19.093 79.572 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -54.003 -20.603 80.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -52.004 -19.895 79.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -52.550 -20.948 78.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -52.711 -19.270 78.046 1.00 0.00 H new ATOM 821 N GLN A 53 -54.824 -20.929 73.223 1.00 0.00 N ATOM 822 CA GLN A 53 -53.568 -20.983 72.430 1.00 0.00 C ATOM 823 C GLN A 53 -52.365 -21.162 73.351 1.00 0.00 C ATOM 824 O GLN A 53 -51.549 -20.276 73.516 1.00 0.00 O ATOM 825 CB GLN A 53 -53.429 -19.687 71.628 1.00 0.00 C ATOM 826 CG GLN A 53 -54.655 -19.536 70.728 1.00 0.00 C ATOM 827 CD GLN A 53 -54.525 -18.236 69.933 1.00 0.00 C ATOM 828 OE1 GLN A 53 -54.447 -17.158 70.488 1.00 0.00 O ATOM 829 NE2 GLN A 53 -54.498 -18.294 68.629 1.00 0.00 N ATOM 0 H GLN A 53 -55.531 -21.615 72.959 1.00 0.00 H new ATOM 0 HA GLN A 53 -53.606 -21.833 71.749 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.346 -18.833 72.300 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.520 -19.709 71.028 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -54.733 -20.386 70.051 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -55.565 -19.522 71.328 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -54.563 -19.196 68.157 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -54.412 -17.437 68.082 1.00 0.00 H new ATOM 838 N GLU A 54 -52.300 -22.332 73.931 1.00 0.00 N ATOM 839 CA GLU A 54 -51.189 -22.689 74.867 1.00 0.00 C ATOM 840 C GLU A 54 -50.332 -23.730 74.150 1.00 0.00 C ATOM 841 O GLU A 54 -49.124 -23.749 74.290 1.00 0.00 O ATOM 842 CB GLU A 54 -51.771 -23.281 76.152 1.00 0.00 C ATOM 843 CG GLU A 54 -50.611 -23.537 77.118 1.00 0.00 C ATOM 844 CD GLU A 54 -51.157 -24.073 78.442 1.00 0.00 C ATOM 845 OE1 GLU A 54 -51.749 -25.139 78.394 1.00 0.00 O ATOM 846 OE2 GLU A 54 -50.949 -23.384 79.427 1.00 0.00 O ATOM 0 H GLU A 54 -52.987 -23.073 73.792 1.00 0.00 H new ATOM 0 HA GLU A 54 -50.597 -21.814 75.136 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.493 -22.595 76.595 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -52.302 -24.209 75.939 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -49.914 -24.253 76.684 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -50.056 -22.615 77.288 1.00 0.00 H new ATOM 853 N VAL A 55 -50.979 -24.582 73.391 1.00 0.00 N ATOM 854 CA VAL A 55 -50.247 -25.652 72.631 1.00 0.00 C ATOM 855 C VAL A 55 -50.369 -25.407 71.124 1.00 0.00 C ATOM 856 O VAL A 55 -51.321 -24.813 70.657 1.00 0.00 O ATOM 857 CB VAL A 55 -50.842 -27.038 73.018 1.00 0.00 C ATOM 858 CG1 VAL A 55 -50.339 -27.432 74.389 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.402 -27.041 73.107 1.00 0.00 C ATOM 0 H VAL A 55 -51.991 -24.584 73.263 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.188 -25.632 72.887 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.530 -27.727 72.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -50.753 -28.402 74.664 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -49.251 -27.493 74.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -50.650 -26.685 75.119 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.749 -28.037 73.381 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.725 -26.324 73.862 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.822 -26.763 72.140 1.00 0.00 H new ATOM 869 N ILE A 56 -49.383 -25.878 70.403 1.00 0.00 N ATOM 870 CA ILE A 56 -49.386 -25.697 68.917 1.00 0.00 C ATOM 871 C ILE A 56 -50.738 -26.126 68.344 1.00 0.00 C ATOM 872 O ILE A 56 -51.619 -26.542 69.070 1.00 0.00 O ATOM 873 CB ILE A 56 -48.240 -26.542 68.289 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.471 -28.011 68.718 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.866 -25.974 68.744 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.352 -28.981 68.320 1.00 0.00 C ATOM 0 H ILE A 56 -48.577 -26.379 70.777 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.224 -24.646 68.678 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.238 -26.496 67.200 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.593 -28.044 69.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.407 -28.359 68.281 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -46.064 -26.566 68.304 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.774 -24.938 68.417 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.796 -26.019 69.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.602 -29.985 68.663 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.242 -28.984 67.236 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.415 -28.664 68.779 1.00 0.00 H new ATOM 888 N ARG A 57 -50.886 -26.020 67.048 1.00 0.00 N ATOM 889 CA ARG A 57 -52.155 -26.405 66.390 1.00 0.00 C ATOM 890 C ARG A 57 -52.250 -27.921 66.312 1.00 0.00 C ATOM 891 O ARG A 57 -53.194 -28.485 66.824 1.00 0.00 O ATOM 892 CB ARG A 57 -52.184 -25.789 64.990 1.00 0.00 C ATOM 893 CG ARG A 57 -53.524 -26.112 64.328 1.00 0.00 C ATOM 894 CD ARG A 57 -53.556 -25.435 62.956 1.00 0.00 C ATOM 895 NE ARG A 57 -53.396 -23.957 63.168 1.00 0.00 N ATOM 896 CZ ARG A 57 -54.308 -23.106 62.773 1.00 0.00 C ATOM 897 NH1 ARG A 57 -55.079 -23.428 61.769 1.00 0.00 N ATOM 898 NH2 ARG A 57 -54.419 -21.963 63.394 1.00 0.00 N ATOM 0 H ARG A 57 -50.165 -25.676 66.414 1.00 0.00 H new ATOM 0 HA ARG A 57 -53.007 -26.038 66.963 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -52.046 -24.710 65.051 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.364 -26.182 64.389 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.646 -27.190 64.223 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.349 -25.757 64.946 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.756 -25.819 62.322 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -54.496 -25.648 62.447 1.00 0.00 H new ATOM 0 HE ARG A 57 -52.557 -23.608 63.631 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -54.965 -24.330 61.307 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -55.796 -22.777 61.447 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -53.800 -21.744 64.175 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -55.125 -21.288 63.099 1.00 0.00 H new ATOM 912 N GLY A 58 -51.293 -28.538 65.663 1.00 0.00 N ATOM 913 CA GLY A 58 -51.267 -30.026 65.531 1.00 0.00 C ATOM 914 C GLY A 58 -51.829 -30.718 66.770 1.00 0.00 C ATOM 915 O GLY A 58 -52.341 -31.818 66.708 1.00 0.00 O ATOM 0 H GLY A 58 -50.513 -28.061 65.210 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.845 -30.323 64.656 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.242 -30.358 65.364 1.00 0.00 H new ATOM 919 N TRP A 59 -51.708 -30.031 67.878 1.00 0.00 N ATOM 920 CA TRP A 59 -52.206 -30.555 69.187 1.00 0.00 C ATOM 921 C TRP A 59 -53.647 -30.079 69.386 1.00 0.00 C ATOM 922 O TRP A 59 -54.586 -30.838 69.265 1.00 0.00 O ATOM 923 CB TRP A 59 -51.310 -29.995 70.335 1.00 0.00 C ATOM 924 CG TRP A 59 -50.455 -31.072 71.003 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.616 -31.867 70.325 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.369 -31.369 72.311 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.059 -32.604 71.261 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.447 -32.384 72.509 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.034 -30.836 73.388 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.216 -32.839 73.799 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -50.780 -31.306 74.631 1.00 0.00 C ATOM 932 CH2 TRP A 59 -49.885 -32.296 74.838 1.00 0.00 C ATOM 0 H TRP A 59 -51.275 -29.109 67.931 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.170 -31.644 69.197 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -50.659 -29.218 69.934 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -51.944 -29.524 71.086 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.439 -31.896 69.260 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.360 -33.313 71.037 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -51.756 -30.046 73.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.500 -33.629 73.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.303 -30.881 75.475 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.704 -32.655 75.840 1.00 0.00 H new ATOM 943 N GLU A 60 -53.759 -28.810 69.691 1.00 0.00 N ATOM 944 CA GLU A 60 -55.089 -28.169 69.925 1.00 0.00 C ATOM 945 C GLU A 60 -56.132 -28.748 68.965 1.00 0.00 C ATOM 946 O GLU A 60 -57.204 -29.177 69.347 1.00 0.00 O ATOM 947 CB GLU A 60 -54.923 -26.678 69.707 1.00 0.00 C ATOM 948 CG GLU A 60 -56.187 -25.953 70.157 1.00 0.00 C ATOM 949 CD GLU A 60 -56.047 -24.451 69.876 1.00 0.00 C ATOM 950 OE1 GLU A 60 -54.998 -24.081 69.374 1.00 0.00 O ATOM 951 OE2 GLU A 60 -57.004 -23.759 70.183 1.00 0.00 O ATOM 0 H GLU A 60 -52.965 -28.177 69.790 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.437 -28.362 70.940 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.062 -26.312 70.267 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.729 -26.473 68.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -57.054 -26.352 69.631 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.355 -26.120 71.221 1.00 0.00 H new ATOM 958 N GLU A 61 -55.734 -28.738 67.722 1.00 0.00 N ATOM 959 CA GLU A 61 -56.583 -29.251 66.638 1.00 0.00 C ATOM 960 C GLU A 61 -56.577 -30.764 66.821 1.00 0.00 C ATOM 961 O GLU A 61 -57.609 -31.381 66.981 1.00 0.00 O ATOM 962 CB GLU A 61 -55.960 -28.832 65.299 1.00 0.00 C ATOM 963 CG GLU A 61 -56.936 -29.021 64.120 1.00 0.00 C ATOM 964 CD GLU A 61 -57.315 -30.492 63.927 1.00 0.00 C ATOM 965 OE1 GLU A 61 -58.120 -30.959 64.714 1.00 0.00 O ATOM 966 OE2 GLU A 61 -56.770 -31.064 62.998 1.00 0.00 O ATOM 0 H GLU A 61 -54.828 -28.383 67.416 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.603 -28.868 66.653 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -55.655 -27.787 65.353 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.058 -29.418 65.120 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -57.837 -28.433 64.296 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -56.480 -28.640 63.206 1.00 0.00 H new ATOM 973 N GLY A 62 -55.403 -31.339 66.798 1.00 0.00 N ATOM 974 CA GLY A 62 -55.319 -32.806 66.971 1.00 0.00 C ATOM 975 C GLY A 62 -56.104 -33.224 68.214 1.00 0.00 C ATOM 976 O GLY A 62 -57.237 -33.643 68.117 1.00 0.00 O ATOM 0 H GLY A 62 -54.513 -30.858 66.668 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.719 -33.309 66.091 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.277 -33.111 67.067 1.00 0.00 H new ATOM 980 N VAL A 63 -55.461 -33.089 69.346 1.00 0.00 N ATOM 981 CA VAL A 63 -56.084 -33.447 70.656 1.00 0.00 C ATOM 982 C VAL A 63 -57.602 -33.265 70.664 1.00 0.00 C ATOM 983 O VAL A 63 -58.312 -34.138 71.109 1.00 0.00 O ATOM 984 CB VAL A 63 -55.440 -32.587 71.735 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.053 -32.980 73.094 1.00 0.00 C ATOM 986 CG2 VAL A 63 -53.916 -32.863 71.759 1.00 0.00 C ATOM 0 H VAL A 63 -54.506 -32.737 69.418 1.00 0.00 H new ATOM 0 HA VAL A 63 -55.909 -34.506 70.843 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.613 -31.530 71.535 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.606 -32.376 73.883 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.129 -32.808 73.071 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.858 -34.034 73.290 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.447 -32.251 72.529 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.740 -33.917 71.976 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.486 -32.616 70.788 1.00 0.00 H new ATOM 996 N ALA A 64 -58.087 -32.142 70.201 1.00 0.00 N ATOM 997 CA ALA A 64 -59.571 -31.938 70.184 1.00 0.00 C ATOM 998 C ALA A 64 -60.280 -33.183 69.658 1.00 0.00 C ATOM 999 O ALA A 64 -61.091 -33.830 70.292 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.908 -30.779 69.263 1.00 0.00 C ATOM 0 H ALA A 64 -57.532 -31.367 69.839 1.00 0.00 H new ATOM 0 HA ALA A 64 -59.901 -31.734 71.203 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -60.987 -30.628 69.248 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.420 -29.874 69.624 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.559 -31.002 68.255 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.874 -33.422 68.449 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.332 -34.539 67.599 1.00 0.00 C ATOM 1008 C GLN A 65 -60.290 -35.838 68.397 1.00 0.00 C ATOM 1009 O GLN A 65 -60.824 -36.844 67.976 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.401 -34.502 66.381 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.963 -35.226 65.170 1.00 0.00 C ATOM 1012 CD GLN A 65 -59.059 -34.890 63.965 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -59.210 -35.447 62.897 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -58.113 -33.989 64.089 1.00 0.00 N ATOM 0 H GLN A 65 -59.184 -32.832 67.984 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.367 -34.461 67.265 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.204 -33.463 66.115 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.444 -34.949 66.651 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.986 -36.302 65.343 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.989 -34.912 64.978 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.975 -33.513 64.981 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.515 -33.764 63.294 1.00 0.00 H new ATOM 1023 N MET A 66 -59.653 -35.795 69.543 1.00 0.00 N ATOM 1024 CA MET A 66 -59.589 -37.050 70.376 1.00 0.00 C ATOM 1025 C MET A 66 -60.813 -37.023 71.287 1.00 0.00 C ATOM 1026 O MET A 66 -61.376 -35.976 71.535 1.00 0.00 O ATOM 1027 CB MET A 66 -58.348 -37.079 71.279 1.00 0.00 C ATOM 1028 CG MET A 66 -57.062 -36.991 70.458 1.00 0.00 C ATOM 1029 SD MET A 66 -56.602 -38.442 69.479 1.00 0.00 S ATOM 1030 CE MET A 66 -57.301 -37.935 67.889 1.00 0.00 C ATOM 0 H MET A 66 -59.187 -34.976 69.933 1.00 0.00 H new ATOM 0 HA MET A 66 -59.551 -37.917 69.716 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.389 -36.249 71.984 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.345 -37.997 71.867 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.152 -36.142 69.781 1.00 0.00 H new ATOM 0 HG3 MET A 66 -56.241 -36.770 71.140 1.00 0.00 H new ATOM 0 HE1 MET A 66 -57.457 -38.814 67.263 1.00 0.00 H new ATOM 0 HE2 MET A 66 -58.255 -37.433 68.054 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.613 -37.252 67.390 1.00 0.00 H new ATOM 1040 N SER A 67 -61.205 -38.172 71.775 1.00 0.00 N ATOM 1041 CA SER A 67 -62.401 -38.260 72.682 1.00 0.00 C ATOM 1042 C SER A 67 -62.002 -38.881 74.015 1.00 0.00 C ATOM 1043 O SER A 67 -61.280 -39.857 74.073 1.00 0.00 O ATOM 1044 CB SER A 67 -63.465 -39.124 72.013 1.00 0.00 C ATOM 1045 OG SER A 67 -62.826 -40.385 71.869 1.00 0.00 O ATOM 0 H SER A 67 -60.747 -39.063 71.585 1.00 0.00 H new ATOM 0 HA SER A 67 -62.794 -37.260 72.864 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.365 -39.197 72.624 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.767 -38.715 71.049 1.00 0.00 H new ATOM 0 HG SER A 67 -63.442 -41.017 71.443 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.498 -38.277 75.058 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.205 -38.762 76.431 1.00 0.00 C ATOM 1053 C VAL A 68 -62.097 -40.280 76.527 1.00 0.00 C ATOM 1054 O VAL A 68 -63.093 -40.968 76.631 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.315 -38.217 77.336 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.281 -38.823 78.735 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.150 -36.702 77.453 1.00 0.00 C ATOM 0 H VAL A 68 -63.102 -37.456 75.014 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.225 -38.401 76.743 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.271 -38.483 76.885 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -64.089 -38.402 79.334 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.406 -39.904 78.667 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.324 -38.597 79.206 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -63.934 -36.299 78.095 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.175 -36.474 77.884 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.223 -36.251 76.464 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.890 -40.782 76.491 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.679 -42.264 76.580 1.00 0.00 C ATOM 1069 C GLY A 69 -60.021 -42.770 75.303 1.00 0.00 C ATOM 1070 O GLY A 69 -59.854 -43.959 75.118 1.00 0.00 O ATOM 0 H GLY A 69 -60.037 -40.230 76.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -60.053 -42.500 77.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.634 -42.768 76.732 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.657 -41.857 74.438 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.994 -42.264 73.146 1.00 0.00 C ATOM 1076 C GLN A 70 -57.518 -41.924 73.183 1.00 0.00 C ATOM 1077 O GLN A 70 -57.088 -40.977 73.811 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.638 -41.514 71.948 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.853 -41.814 70.641 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.581 -41.214 69.432 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.759 -41.430 69.230 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -58.909 -40.458 68.600 1.00 0.00 N ATOM 0 H GLN A 70 -59.786 -40.853 74.562 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.126 -43.339 73.025 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.678 -41.820 71.835 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.641 -40.441 72.141 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.847 -41.400 70.710 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.747 -42.891 70.512 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -57.919 -40.273 68.764 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.375 -40.054 67.788 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.774 -42.741 72.482 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.298 -42.559 72.395 1.00 0.00 C ATOM 1093 C ARG A 71 -54.912 -42.696 70.942 1.00 0.00 C ATOM 1094 O ARG A 71 -55.458 -43.502 70.209 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.616 -43.618 73.213 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.147 -43.278 73.368 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.531 -44.351 74.259 1.00 0.00 C ATOM 1098 NE ARG A 71 -52.587 -45.655 73.519 1.00 0.00 N ATOM 1099 CZ ARG A 71 -51.499 -46.325 73.240 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.657 -45.829 72.374 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -51.289 -47.467 73.836 1.00 0.00 N ATOM 0 H ARG A 71 -57.135 -43.539 71.959 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.999 -41.583 72.777 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -55.087 -43.693 74.193 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.725 -44.590 72.731 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.653 -43.253 72.397 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -53.025 -42.291 73.813 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -51.500 -44.096 74.505 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -53.075 -44.423 75.201 1.00 0.00 H new ATOM 0 HE ARG A 71 -53.491 -46.026 73.228 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -50.853 -44.933 71.928 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.803 -46.337 72.144 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -51.968 -47.824 74.508 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -50.446 -48.002 73.630 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.953 -41.892 70.586 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.472 -41.906 69.169 1.00 0.00 C ATOM 1117 C ALA A 72 -52.035 -41.470 68.975 1.00 0.00 C ATOM 1118 O ALA A 72 -51.332 -41.118 69.898 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.356 -40.987 68.347 1.00 0.00 C ATOM 0 H ALA A 72 -53.482 -41.230 71.203 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.524 -42.947 68.850 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -54.017 -40.987 67.311 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.387 -41.338 68.392 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.300 -39.975 68.747 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.687 -41.525 67.718 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.337 -41.147 67.218 1.00 0.00 C ATOM 1127 C LYS A 73 -50.636 -40.097 66.157 1.00 0.00 C ATOM 1128 O LYS A 73 -51.062 -40.405 65.063 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.650 -42.372 66.607 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.302 -41.915 66.029 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.460 -43.117 65.545 1.00 0.00 C ATOM 1132 CE LYS A 73 -48.125 -43.828 64.356 1.00 0.00 C ATOM 1133 NZ LYS A 73 -48.416 -42.849 63.271 1.00 0.00 N ATOM 0 H LYS A 73 -52.321 -41.834 66.981 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.668 -40.775 67.994 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.500 -43.143 67.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.272 -42.809 65.826 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.474 -41.231 65.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.748 -41.362 66.787 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -46.467 -42.774 65.256 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.327 -43.823 66.365 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -47.471 -44.615 63.981 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -49.048 -44.309 64.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -48.557 -43.356 62.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -49.277 -42.316 63.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -47.617 -42.191 63.174 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.404 -38.863 66.505 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.679 -37.762 65.524 1.00 0.00 C ATOM 1149 C LEU A 74 -49.347 -37.364 64.900 1.00 0.00 C ATOM 1150 O LEU A 74 -48.314 -37.386 65.541 1.00 0.00 O ATOM 1151 CB LEU A 74 -51.304 -36.571 66.272 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.325 -37.065 67.305 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.928 -35.860 68.012 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.449 -37.835 66.629 1.00 0.00 C ATOM 0 H LEU A 74 -50.041 -38.565 67.411 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.372 -38.082 64.746 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.523 -35.995 66.769 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.790 -35.902 65.562 1.00 0.00 H new ATOM 0 HG LEU A 74 -51.817 -37.722 68.011 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.656 -36.198 68.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -52.139 -35.299 68.512 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -53.422 -35.219 67.282 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.161 -38.175 67.381 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -53.957 -37.186 65.916 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.036 -38.697 66.105 1.00 0.00 H new ATOM 1166 N THR A 75 -49.412 -37.005 63.646 1.00 0.00 N ATOM 1167 CA THR A 75 -48.182 -36.585 62.897 1.00 0.00 C ATOM 1168 C THR A 75 -48.395 -35.114 62.606 1.00 0.00 C ATOM 1169 O THR A 75 -49.373 -34.727 61.999 1.00 0.00 O ATOM 1170 CB THR A 75 -48.071 -37.368 61.591 1.00 0.00 C ATOM 1171 OG1 THR A 75 -48.057 -38.730 61.997 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.693 -37.155 60.962 1.00 0.00 C ATOM 0 H THR A 75 -50.273 -36.983 63.099 1.00 0.00 H new ATOM 0 HA THR A 75 -47.268 -36.769 63.461 1.00 0.00 H new ATOM 0 HB THR A 75 -48.863 -37.078 60.901 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.989 -39.306 61.207 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.627 -37.719 60.031 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.547 -36.095 60.755 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.922 -37.500 61.651 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.462 -34.315 63.049 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.541 -32.836 62.845 1.00 0.00 C ATOM 1182 C ILE A 76 -46.443 -32.397 61.898 1.00 0.00 C ATOM 1183 O ILE A 76 -45.291 -32.743 62.067 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.346 -32.129 64.189 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.298 -32.798 65.201 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.680 -30.637 63.977 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.174 -32.219 66.610 1.00 0.00 C ATOM 0 H ILE A 76 -46.633 -34.629 63.553 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.514 -32.580 62.426 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.327 -32.204 64.569 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.325 -32.683 64.856 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.091 -33.868 65.234 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.552 -30.099 64.916 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.012 -30.218 63.225 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.712 -30.539 63.640 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.869 -32.730 67.276 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.155 -32.358 66.972 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.409 -31.155 66.588 1.00 0.00 H new ATOM 1199 N SER A 77 -46.854 -31.626 60.928 1.00 0.00 N ATOM 1200 CA SER A 77 -45.917 -31.088 59.887 1.00 0.00 C ATOM 1201 C SER A 77 -45.695 -29.606 60.238 1.00 0.00 C ATOM 1202 O SER A 77 -46.555 -29.018 60.863 1.00 0.00 O ATOM 1203 CB SER A 77 -46.609 -31.266 58.525 1.00 0.00 C ATOM 1204 OG SER A 77 -47.837 -30.575 58.699 1.00 0.00 O ATOM 0 H SER A 77 -47.825 -31.337 60.807 1.00 0.00 H new ATOM 0 HA SER A 77 -44.953 -31.595 59.849 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.018 -30.841 57.713 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.768 -32.318 58.287 1.00 0.00 H new ATOM 0 HG SER A 77 -47.889 -29.835 58.059 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.584 -29.020 59.852 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.233 -27.639 60.271 1.00 0.00 C ATOM 1212 C PRO A 78 -45.441 -26.698 60.364 1.00 0.00 C ATOM 1213 O PRO A 78 -45.671 -26.073 61.379 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.156 -27.207 59.231 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.215 -28.310 58.142 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.537 -29.568 58.950 1.00 0.00 C ATOM 0 HA PRO A 78 -43.851 -27.594 61.291 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.376 -26.224 58.815 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.166 -27.147 59.684 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -43.982 -28.101 57.396 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.269 -28.403 57.609 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -43.906 -30.383 58.327 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.673 -29.949 59.494 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.181 -26.619 59.295 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.376 -25.743 59.260 1.00 0.00 C ATOM 1226 C ASP A 79 -48.217 -25.797 60.540 1.00 0.00 C ATOM 1227 O ASP A 79 -48.766 -24.799 60.964 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.205 -26.148 58.021 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.371 -27.670 57.941 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -47.359 -28.340 58.068 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -49.504 -28.076 57.749 1.00 0.00 O ATOM 0 H ASP A 79 -46.003 -27.134 58.433 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.050 -24.705 59.194 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.186 -25.674 58.065 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -47.715 -25.785 57.117 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.308 -26.961 61.138 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.107 -27.148 62.394 1.00 0.00 C ATOM 1238 C TYR A 80 -48.249 -27.327 63.655 1.00 0.00 C ATOM 1239 O TYR A 80 -48.716 -27.891 64.625 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.999 -28.387 62.185 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.291 -28.044 61.428 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.240 -27.421 60.199 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.523 -28.361 61.970 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.403 -27.119 59.520 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.685 -28.059 61.293 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.632 -27.436 60.061 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.792 -27.132 59.380 1.00 0.00 O ATOM 0 H TYR A 80 -47.852 -27.809 60.801 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.690 -26.243 62.566 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.444 -29.144 61.631 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.250 -28.821 63.153 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.284 -27.168 59.765 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.575 -28.849 62.932 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.351 -26.631 58.558 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.641 -28.310 61.728 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.566 -27.426 59.905 1.00 0.00 H new ATOM 1457 N THR A 96 -40.385 -32.004 61.707 1.00 0.00 N ATOM 1458 CA THR A 96 -41.713 -32.662 61.935 1.00 0.00 C ATOM 1459 C THR A 96 -41.832 -33.205 63.376 1.00 0.00 C ATOM 1460 O THR A 96 -40.903 -33.830 63.846 1.00 0.00 O ATOM 1461 CB THR A 96 -41.811 -33.787 60.908 1.00 0.00 C ATOM 1462 OG1 THR A 96 -41.649 -33.111 59.671 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.209 -34.387 60.793 1.00 0.00 C ATOM 0 HA THR A 96 -42.529 -31.949 61.816 1.00 0.00 H new ATOM 0 HB THR A 96 -41.103 -34.573 61.171 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.002 -32.382 59.779 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.204 -35.180 60.045 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.509 -34.799 61.757 1.00 0.00 H new ATOM 0 HG23 THR A 96 -43.914 -33.611 60.495 1.00 0.00 H new ATOM 1471 N LEU A 97 -42.931 -32.984 64.066 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.073 -33.498 65.456 1.00 0.00 C ATOM 1473 C LEU A 97 -44.071 -34.664 65.407 1.00 0.00 C ATOM 1474 O LEU A 97 -45.013 -34.631 64.639 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.671 -32.418 66.372 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.072 -31.026 66.266 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.745 -30.143 67.309 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.591 -30.984 66.563 1.00 0.00 C ATOM 0 H LEU A 97 -43.737 -32.465 63.716 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.097 -33.796 65.838 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.738 -32.346 66.162 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.571 -32.754 67.404 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.227 -30.693 65.240 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.332 -29.136 67.254 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.817 -30.107 67.118 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.568 -30.554 68.303 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.230 -29.960 66.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.413 -31.339 67.578 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.060 -31.622 65.857 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.864 -35.672 66.213 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.811 -36.832 66.220 1.00 0.00 C ATOM 1492 C VAL A 98 -45.137 -37.119 67.680 1.00 0.00 C ATOM 1493 O VAL A 98 -44.252 -37.421 68.457 1.00 0.00 O ATOM 1494 CB VAL A 98 -44.149 -38.053 65.600 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -45.184 -39.196 65.576 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.748 -37.720 64.163 1.00 0.00 C ATOM 0 H VAL A 98 -43.084 -35.745 66.866 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.709 -36.604 65.645 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.268 -38.345 66.172 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.734 -40.085 65.135 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.504 -39.418 66.594 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -46.046 -38.894 64.982 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -43.272 -38.588 63.708 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.636 -37.451 63.591 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -43.050 -36.883 64.165 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.390 -37.027 68.046 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.765 -37.303 69.470 1.00 0.00 C ATOM 1508 C PHE A 99 -47.588 -38.591 69.526 1.00 0.00 C ATOM 1509 O PHE A 99 -48.100 -39.082 68.540 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.650 -36.204 70.072 1.00 0.00 C ATOM 1511 CG PHE A 99 -46.883 -34.915 70.384 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.371 -34.177 69.352 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.740 -34.463 71.687 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.722 -32.986 69.609 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.096 -33.274 71.961 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.581 -32.530 70.901 1.00 0.00 C ATOM 0 H PHE A 99 -47.163 -36.776 67.430 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.833 -37.366 70.032 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.460 -35.978 69.379 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.109 -36.577 70.988 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.475 -34.527 68.335 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.139 -35.051 72.500 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.321 -32.407 68.790 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -45.993 -32.926 72.978 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.072 -31.597 71.092 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.672 -39.084 70.727 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.436 -40.325 71.034 1.00 0.00 C ATOM 1528 C ASP A 100 -49.254 -39.770 72.190 1.00 0.00 C ATOM 1529 O ASP A 100 -48.820 -39.856 73.320 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.497 -41.429 71.504 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.431 -41.692 70.435 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -46.474 -40.997 69.432 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -45.630 -42.577 70.688 1.00 0.00 O ATOM 0 H ASP A 100 -47.225 -38.661 71.541 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.998 -40.775 70.215 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -47.022 -41.140 72.442 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -48.062 -42.341 71.700 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.414 -39.216 71.928 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.231 -38.640 73.057 1.00 0.00 C ATOM 1540 C VAL A 101 -52.409 -39.490 73.482 1.00 0.00 C ATOM 1541 O VAL A 101 -52.994 -40.231 72.718 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.776 -37.263 72.644 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.376 -36.508 73.856 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.689 -36.451 71.963 1.00 0.00 C ATOM 0 H VAL A 101 -50.830 -39.136 71.000 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.550 -38.585 73.906 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.586 -37.413 71.930 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.753 -35.538 73.530 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.194 -37.091 74.279 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.605 -36.362 74.612 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.088 -35.478 71.675 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.854 -36.312 72.650 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.344 -36.979 71.074 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.704 -39.322 74.743 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.826 -40.035 75.410 1.00 0.00 C ATOM 1556 C GLU A 102 -54.733 -38.987 76.069 1.00 0.00 C ATOM 1557 O GLU A 102 -54.376 -38.468 77.107 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.260 -40.976 76.472 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.417 -41.752 77.106 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.849 -42.726 78.140 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.059 -43.556 77.721 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.237 -42.582 79.287 1.00 0.00 O ATOM 0 H GLU A 102 -52.190 -38.693 75.360 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.396 -40.619 74.688 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.544 -41.665 76.024 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.724 -40.409 77.233 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.118 -41.065 77.580 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.972 -42.295 76.341 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.869 -38.667 75.494 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.732 -37.644 76.173 1.00 0.00 C ATOM 1571 C LEU A 103 -57.329 -38.426 77.327 1.00 0.00 C ATOM 1572 O LEU A 103 -58.040 -39.396 77.146 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.849 -37.144 75.226 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.901 -36.254 75.978 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.294 -34.914 76.511 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -60.033 -35.933 74.990 1.00 0.00 C ATOM 0 H LEU A 103 -56.227 -39.051 74.619 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.182 -36.755 76.482 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.405 -36.571 74.412 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.353 -37.999 74.776 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.258 -36.808 76.846 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -59.068 -34.341 77.021 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.485 -35.133 77.208 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.905 -34.333 75.675 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.782 -35.314 75.484 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.626 -35.396 74.133 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.495 -36.861 74.652 1.00 0.00 H new ATOM 1588 N LEU A 104 -57.014 -37.954 78.503 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.501 -38.611 79.744 1.00 0.00 C ATOM 1590 C LEU A 104 -58.882 -38.135 80.142 1.00 0.00 C ATOM 1591 O LEU A 104 -59.801 -38.918 80.288 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.514 -38.306 80.858 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.089 -38.759 80.427 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.062 -37.985 81.209 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.876 -40.256 80.713 1.00 0.00 C ATOM 0 H LEU A 104 -56.432 -37.130 78.655 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.574 -39.683 79.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.517 -37.239 81.079 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.810 -38.821 81.772 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.986 -38.577 79.357 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.063 -38.300 80.909 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.181 -36.920 81.011 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.198 -38.174 82.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.872 -40.547 80.402 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.994 -40.443 81.780 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.611 -40.840 80.159 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.991 -36.851 80.307 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.298 -36.287 80.699 1.00 0.00 C ATOM 1609 C LYS A 105 -60.275 -34.769 80.662 1.00 0.00 C ATOM 1610 O LYS A 105 -59.358 -34.165 80.143 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.652 -36.767 82.114 1.00 0.00 C ATOM 1612 CG LYS A 105 -59.550 -36.303 83.074 1.00 0.00 C ATOM 1613 CD LYS A 105 -59.706 -36.955 84.464 1.00 0.00 C ATOM 1614 CE LYS A 105 -61.068 -36.621 85.091 1.00 0.00 C ATOM 1615 NZ LYS A 105 -62.155 -37.404 84.436 1.00 0.00 N ATOM 0 H LYS A 105 -58.236 -36.175 80.188 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.051 -36.630 79.989 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -61.617 -36.363 82.421 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -60.740 -37.853 82.135 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -58.574 -36.555 82.659 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -59.584 -35.218 83.173 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -59.601 -38.036 84.374 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -58.907 -36.610 85.121 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -61.047 -36.841 86.158 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -61.269 -35.555 84.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -62.667 -36.795 83.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -61.742 -38.210 83.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -62.815 -37.754 85.159 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.300 -34.174 81.216 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.391 -32.678 81.242 1.00 0.00 C ATOM 1631 C LEU A 106 -61.342 -32.223 82.698 1.00 0.00 C ATOM 1632 O LEU A 106 -61.667 -32.967 83.603 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.718 -32.224 80.623 1.00 0.00 C ATOM 1634 CG LEU A 106 -63.003 -32.974 79.317 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.361 -32.496 78.794 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.937 -32.670 78.260 1.00 0.00 C ATOM 0 H LEU A 106 -62.083 -34.660 81.654 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.567 -32.247 80.674 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.530 -32.396 81.329 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.685 -31.152 80.430 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.998 -34.047 79.510 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.594 -33.012 77.863 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -65.132 -32.714 79.533 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.324 -31.422 78.614 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -62.166 -33.216 77.345 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.926 -31.600 78.051 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.959 -32.977 78.631 1.00 0.00 H new ATOM 1648 N GLU A 107 -60.931 -30.997 82.888 1.00 0.00 N ATOM 1649 CA GLU A 107 -60.840 -30.426 84.277 1.00 0.00 C ATOM 1650 C GLU A 107 -61.494 -29.043 84.314 1.00 0.00 C ATOM 1651 O GLU A 107 -62.443 -28.915 85.071 1.00 0.00 O ATOM 1652 CB GLU A 107 -59.361 -30.328 84.678 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.263 -29.768 86.101 1.00 0.00 C ATOM 1654 CD GLU A 107 -57.790 -29.732 86.513 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -57.051 -29.063 85.811 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -57.492 -30.378 87.504 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.006 -28.197 83.583 1.00 0.00 O ATOM 0 H GLU A 107 -60.652 -30.359 82.142 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.364 -31.074 84.980 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -58.892 -31.311 84.628 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -58.825 -29.683 83.982 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.692 -28.767 86.144 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -59.834 -30.389 86.792 1.00 0.00 H new