USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 63 CYS SG : rot 19:sc= 1.3 USER MOD Set 1.2: A 70 MET CE :methyl -153:sc= -1.51 (180deg=-1.84) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.051 (180deg=-0.215) USER MOD Single : A 4 MET CE :methyl -161:sc= -1.16 (180deg=-2.17) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 14 ASN : amide:sc= -0.0529 X(o=-0.053,f=-0.39) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.229) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -4:sc= -3.53! USER MOD Single : A 30 THR OG1 : rot -32:sc= 0.152 USER MOD Single : A 33 SER OG : rot 72:sc= 0.754 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -46:sc= 0.436 USER MOD Single : A 40 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.27) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 103:sc= 0.696 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -165:sc= 0.00173 USER MOD Single : A 64 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.0076) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0746 (180deg=-0.419) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.560 -0.453 -0.965 1.00 0.00 N ATOM 2 CA ALA A 1 2.448 0.700 -1.054 1.00 0.00 C ATOM 3 C ALA A 1 3.910 0.267 -1.058 1.00 0.00 C ATOM 4 O ALA A 1 4.787 1.004 -0.607 1.00 0.00 O ATOM 5 CB ALA A 1 2.183 1.660 0.096 1.00 0.00 C ATOM 0 H1 ALA A 1 0.593 -0.131 -0.760 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.569 -0.969 -1.868 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.884 -1.083 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 1 2.245 1.212 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.853 2.516 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.149 2.003 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.357 1.150 1.043 1.00 0.00 H new ATOM 11 N ASP A 2 4.166 -0.932 -1.570 1.00 0.00 N ATOM 12 CA ASP A 2 5.522 -1.463 -1.633 1.00 0.00 C ATOM 13 C ASP A 2 6.066 -1.398 -3.057 1.00 0.00 C ATOM 14 O ASP A 2 5.303 -1.326 -4.021 1.00 0.00 O ATOM 15 CB ASP A 2 5.552 -2.907 -1.128 1.00 0.00 C ATOM 16 CG ASP A 2 5.889 -2.997 0.347 1.00 0.00 C ATOM 17 OD1 ASP A 2 6.747 -2.216 0.808 1.00 0.00 O ATOM 18 OD2 ASP A 2 5.296 -3.850 1.040 1.00 0.00 O ATOM 0 H ASP A 2 3.452 -1.555 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 2 6.156 -0.849 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.582 -3.371 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.286 -3.474 -1.701 1.00 0.00 H new ATOM 23 N ASP A 3 7.388 -1.422 -3.182 1.00 0.00 N ATOM 24 CA ASP A 3 8.034 -1.365 -4.488 1.00 0.00 C ATOM 25 C ASP A 3 8.873 -2.615 -4.734 1.00 0.00 C ATOM 26 O ASP A 3 8.801 -3.223 -5.801 1.00 0.00 O ATOM 27 CB ASP A 3 8.913 -0.118 -4.592 1.00 0.00 C ATOM 28 CG ASP A 3 8.100 1.161 -4.632 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.854 1.072 -4.664 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.709 2.251 -4.630 1.00 0.00 O ATOM 0 H ASP A 3 8.034 -1.481 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 3 7.255 -1.316 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.595 -0.085 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.527 -0.183 -5.490 1.00 0.00 H new ATOM 35 N MET A 4 9.669 -2.993 -3.738 1.00 0.00 N ATOM 36 CA MET A 4 10.522 -4.170 -3.847 1.00 0.00 C ATOM 37 C MET A 4 10.145 -5.213 -2.800 1.00 0.00 C ATOM 38 O MET A 4 10.393 -6.405 -2.981 1.00 0.00 O ATOM 39 CB MET A 4 11.992 -3.779 -3.688 1.00 0.00 C ATOM 40 CG MET A 4 12.317 -3.176 -2.330 1.00 0.00 C ATOM 41 SD MET A 4 12.137 -1.382 -2.306 1.00 0.00 S ATOM 42 CE MET A 4 13.481 -0.893 -3.384 1.00 0.00 C ATOM 0 H MET A 4 9.740 -2.501 -2.847 1.00 0.00 H new ATOM 0 HA MET A 4 10.375 -4.604 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.613 -4.661 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.255 -3.063 -4.467 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.662 -3.613 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.339 -3.439 -2.055 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.720 0.157 -3.214 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.358 -1.504 -3.172 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.183 -1.033 -4.423 1.00 0.00 H new ATOM 52 N GLU A 5 9.545 -4.756 -1.705 1.00 0.00 N ATOM 53 CA GLU A 5 9.136 -5.651 -0.629 1.00 0.00 C ATOM 54 C GLU A 5 7.982 -6.545 -1.074 1.00 0.00 C ATOM 55 O GLU A 5 7.863 -7.688 -0.633 1.00 0.00 O ATOM 56 CB GLU A 5 8.725 -4.845 0.606 1.00 0.00 C ATOM 57 CG GLU A 5 9.897 -4.425 1.476 1.00 0.00 C ATOM 58 CD GLU A 5 9.457 -3.813 2.792 1.00 0.00 C ATOM 59 OE1 GLU A 5 8.338 -3.261 2.844 1.00 0.00 O ATOM 60 OE2 GLU A 5 10.231 -3.887 3.769 1.00 0.00 O ATOM 0 H GLU A 5 9.332 -3.772 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 5 9.986 -6.284 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.184 -3.955 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.034 -5.439 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.526 -5.293 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.509 -3.706 0.932 1.00 0.00 H new ATOM 67 N ARG A 6 7.134 -6.014 -1.949 1.00 0.00 N ATOM 68 CA ARG A 6 5.989 -6.763 -2.453 1.00 0.00 C ATOM 69 C ARG A 6 6.441 -7.901 -3.363 1.00 0.00 C ATOM 70 O ARG A 6 5.713 -8.874 -3.565 1.00 0.00 O ATOM 71 CB ARG A 6 5.040 -5.834 -3.213 1.00 0.00 C ATOM 72 CG ARG A 6 3.773 -6.520 -3.696 1.00 0.00 C ATOM 73 CD ARG A 6 2.756 -5.514 -4.210 1.00 0.00 C ATOM 74 NE ARG A 6 1.598 -6.166 -4.816 1.00 0.00 N ATOM 75 CZ ARG A 6 0.689 -5.525 -5.542 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.803 -4.221 -5.752 1.00 0.00 N ATOM 77 NH2 ARG A 6 -0.337 -6.188 -6.060 1.00 0.00 N ATOM 0 H ARG A 6 7.218 -5.069 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 6 5.462 -7.191 -1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.767 -4.999 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.566 -5.415 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.020 -7.226 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.336 -7.096 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.426 -4.880 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.230 -4.862 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 6 1.481 -7.169 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.590 -3.708 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.104 -3.731 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.429 -7.191 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.034 -5.694 -6.617 1.00 0.00 H new ATOM 91 N ILE A 7 7.644 -7.771 -3.911 1.00 0.00 N ATOM 92 CA ILE A 7 8.192 -8.789 -4.799 1.00 0.00 C ATOM 93 C ILE A 7 9.087 -9.760 -4.036 1.00 0.00 C ATOM 94 O ILE A 7 8.947 -10.977 -4.158 1.00 0.00 O ATOM 95 CB ILE A 7 9.001 -8.158 -5.947 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.416 -6.795 -6.323 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.018 -9.084 -7.154 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.104 -6.146 -7.504 1.00 0.00 C ATOM 0 H ILE A 7 8.258 -6.971 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 7 7.344 -9.332 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 7 10.028 -8.012 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.357 -6.914 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.485 -6.130 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.594 -8.624 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.476 -10.034 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.997 -9.258 -7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.637 -5.184 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.158 -5.995 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.013 -6.791 -8.378 1.00 0.00 H new ATOM 110 N PHE A 8 10.007 -9.214 -3.247 1.00 0.00 N ATOM 111 CA PHE A 8 10.925 -10.032 -2.463 1.00 0.00 C ATOM 112 C PHE A 8 10.163 -11.061 -1.633 1.00 0.00 C ATOM 113 O PHE A 8 10.598 -12.203 -1.487 1.00 0.00 O ATOM 114 CB PHE A 8 11.773 -9.147 -1.546 1.00 0.00 C ATOM 115 CG PHE A 8 12.483 -9.911 -0.465 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.511 -10.786 -0.778 1.00 0.00 C ATOM 117 CD2 PHE A 8 12.121 -9.755 0.863 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.167 -11.490 0.215 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.773 -10.457 1.860 1.00 0.00 C ATOM 120 CZ PHE A 8 13.796 -11.326 1.535 1.00 0.00 C ATOM 0 H PHE A 8 10.136 -8.209 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 8 11.581 -10.562 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.510 -8.615 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.132 -8.394 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.803 -10.920 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.321 -9.078 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.968 -12.167 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.483 -10.326 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.305 -11.877 2.312 1.00 0.00 H new ATOM 130 N LYS A 9 9.023 -10.647 -1.090 1.00 0.00 N ATOM 131 CA LYS A 9 8.198 -11.531 -0.274 1.00 0.00 C ATOM 132 C LYS A 9 7.507 -12.580 -1.138 1.00 0.00 C ATOM 133 O LYS A 9 7.214 -13.683 -0.676 1.00 0.00 O ATOM 134 CB LYS A 9 7.154 -10.720 0.496 1.00 0.00 C ATOM 135 CG LYS A 9 7.693 -10.084 1.766 1.00 0.00 C ATOM 136 CD LYS A 9 6.576 -9.497 2.613 1.00 0.00 C ATOM 137 CE LYS A 9 5.776 -10.585 3.311 1.00 0.00 C ATOM 138 NZ LYS A 9 6.280 -10.849 4.687 1.00 0.00 N ATOM 0 H LYS A 9 8.649 -9.704 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 9 8.848 -12.042 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.762 -9.938 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.318 -11.370 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.236 -10.830 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.405 -9.300 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.998 -8.821 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.913 -8.904 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.728 -10.291 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.823 -11.503 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.708 -11.597 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.273 -11.155 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.211 -9.980 5.254 1.00 0.00 H new ATOM 152 N ARG A 10 7.249 -12.230 -2.394 1.00 0.00 N ATOM 153 CA ARG A 10 6.593 -13.142 -3.323 1.00 0.00 C ATOM 154 C ARG A 10 7.537 -14.266 -3.741 1.00 0.00 C ATOM 155 O ARG A 10 7.144 -15.431 -3.803 1.00 0.00 O ATOM 156 CB ARG A 10 6.107 -12.384 -4.559 1.00 0.00 C ATOM 157 CG ARG A 10 4.595 -12.381 -4.716 1.00 0.00 C ATOM 158 CD ARG A 10 3.907 -11.814 -3.484 1.00 0.00 C ATOM 159 NE ARG A 10 3.340 -12.864 -2.642 1.00 0.00 N ATOM 160 CZ ARG A 10 2.622 -12.623 -1.551 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.385 -11.375 -1.172 1.00 0.00 N ATOM 162 NH2 ARG A 10 2.140 -13.632 -0.837 1.00 0.00 N ATOM 0 H ARG A 10 7.485 -11.321 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 10 5.735 -13.582 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.460 -11.354 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.555 -12.829 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.320 -11.792 -5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.245 -13.398 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.623 -11.232 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.116 -11.130 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 10 3.504 -13.835 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.754 -10.597 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.833 -11.193 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.321 -14.593 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.589 -13.446 0.001 1.00 0.00 H new ATOM 176 N PHE A 11 8.784 -13.907 -4.027 1.00 0.00 N ATOM 177 CA PHE A 11 9.785 -14.884 -4.441 1.00 0.00 C ATOM 178 C PHE A 11 10.338 -15.640 -3.236 1.00 0.00 C ATOM 179 O PHE A 11 10.842 -16.755 -3.367 1.00 0.00 O ATOM 180 CB PHE A 11 10.925 -14.192 -5.191 1.00 0.00 C ATOM 181 CG PHE A 11 10.548 -13.747 -6.575 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.159 -14.671 -7.532 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.583 -12.406 -6.919 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.814 -14.264 -8.807 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.238 -11.993 -8.192 1.00 0.00 C ATOM 186 CZ PHE A 11 9.851 -12.923 -9.137 1.00 0.00 C ATOM 0 H PHE A 11 9.126 -12.947 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 11 9.304 -15.600 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.254 -13.326 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.773 -14.873 -5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.125 -15.720 -7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.883 -11.674 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.516 -14.994 -9.545 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.271 -10.944 -8.448 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.578 -12.603 -10.132 1.00 0.00 H new ATOM 196 N ASP A 12 10.241 -15.023 -2.063 1.00 0.00 N ATOM 197 CA ASP A 12 10.731 -15.636 -0.834 1.00 0.00 C ATOM 198 C ASP A 12 9.712 -16.624 -0.276 1.00 0.00 C ATOM 199 O ASP A 12 9.267 -16.497 0.865 1.00 0.00 O ATOM 200 CB ASP A 12 11.041 -14.561 0.209 1.00 0.00 C ATOM 201 CG ASP A 12 11.728 -15.127 1.436 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.234 -16.265 1.361 1.00 0.00 O ATOM 203 OD2 ASP A 12 11.758 -14.431 2.473 1.00 0.00 O ATOM 0 H ASP A 12 9.828 -14.099 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 12 11.647 -16.179 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.676 -13.796 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.114 -14.071 0.508 1.00 0.00 H new ATOM 208 N THR A 13 9.344 -17.610 -1.089 1.00 0.00 N ATOM 209 CA THR A 13 8.376 -18.619 -0.678 1.00 0.00 C ATOM 210 C THR A 13 9.060 -19.781 0.031 1.00 0.00 C ATOM 211 O THR A 13 8.508 -20.363 0.964 1.00 0.00 O ATOM 212 CB THR A 13 7.584 -19.162 -1.883 1.00 0.00 C ATOM 213 OG1 THR A 13 8.418 -19.183 -3.047 1.00 0.00 O ATOM 214 CG2 THR A 13 6.353 -18.310 -2.150 1.00 0.00 C ATOM 0 H THR A 13 9.702 -17.731 -2.036 1.00 0.00 H new ATOM 0 HA THR A 13 7.686 -18.132 0.011 1.00 0.00 H new ATOM 0 HB THR A 13 7.260 -20.176 -1.650 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.908 -19.531 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.810 -18.713 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.707 -18.320 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.659 -17.286 -2.364 1.00 0.00 H new ATOM 222 N ASN A 14 10.267 -20.114 -0.417 1.00 0.00 N ATOM 223 CA ASN A 14 11.027 -21.208 0.177 1.00 0.00 C ATOM 224 C ASN A 14 11.101 -21.060 1.693 1.00 0.00 C ATOM 225 O ASN A 14 11.048 -22.046 2.427 1.00 0.00 O ATOM 226 CB ASN A 14 12.439 -21.253 -0.412 1.00 0.00 C ATOM 227 CG ASN A 14 12.523 -22.131 -1.646 1.00 0.00 C ATOM 228 OD1 ASN A 14 12.025 -23.257 -1.656 1.00 0.00 O ATOM 229 ND2 ASN A 14 13.156 -21.618 -2.694 1.00 0.00 N ATOM 0 H ASN A 14 10.739 -19.642 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 14 10.513 -22.141 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.756 -20.242 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.133 -21.624 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.245 -22.162 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.553 -20.680 -2.641 1.00 0.00 H new ATOM 236 N GLY A 15 11.222 -19.819 2.156 1.00 0.00 N ATOM 237 CA GLY A 15 11.301 -19.564 3.583 1.00 0.00 C ATOM 238 C GLY A 15 12.730 -19.515 4.085 1.00 0.00 C ATOM 239 O GLY A 15 13.005 -18.940 5.138 1.00 0.00 O ATOM 0 H GLY A 15 11.267 -18.986 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.808 -18.618 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.758 -20.342 4.119 1.00 0.00 H new ATOM 243 N ASP A 16 13.641 -20.120 3.332 1.00 0.00 N ATOM 244 CA ASP A 16 15.050 -20.143 3.707 1.00 0.00 C ATOM 245 C ASP A 16 15.556 -18.736 4.008 1.00 0.00 C ATOM 246 O ASP A 16 16.456 -18.551 4.826 1.00 0.00 O ATOM 247 CB ASP A 16 15.887 -20.771 2.591 1.00 0.00 C ATOM 248 CG ASP A 16 17.310 -21.060 3.026 1.00 0.00 C ATOM 249 OD1 ASP A 16 18.087 -20.096 3.193 1.00 0.00 O ATOM 250 OD2 ASP A 16 17.646 -22.249 3.202 1.00 0.00 O ATOM 0 H ASP A 16 13.429 -20.601 2.458 1.00 0.00 H new ATOM 0 HA ASP A 16 15.150 -20.746 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.415 -21.698 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.902 -20.101 1.731 1.00 0.00 H new ATOM 255 N GLY A 17 14.970 -17.746 3.341 1.00 0.00 N ATOM 256 CA GLY A 17 15.375 -16.368 3.551 1.00 0.00 C ATOM 257 C GLY A 17 15.776 -15.680 2.262 1.00 0.00 C ATOM 258 O GLY A 17 15.507 -14.493 2.072 1.00 0.00 O ATOM 0 H GLY A 17 14.222 -17.874 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.555 -15.818 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.211 -16.341 4.250 1.00 0.00 H new ATOM 262 N LYS A 18 16.424 -16.424 1.372 1.00 0.00 N ATOM 263 CA LYS A 18 16.864 -15.879 0.093 1.00 0.00 C ATOM 264 C LYS A 18 15.806 -16.095 -0.984 1.00 0.00 C ATOM 265 O LYS A 18 14.690 -16.526 -0.693 1.00 0.00 O ATOM 266 CB LYS A 18 18.182 -16.528 -0.335 1.00 0.00 C ATOM 267 CG LYS A 18 19.186 -16.669 0.796 1.00 0.00 C ATOM 268 CD LYS A 18 20.555 -17.079 0.279 1.00 0.00 C ATOM 269 CE LYS A 18 21.490 -17.460 1.416 1.00 0.00 C ATOM 270 NZ LYS A 18 22.286 -16.296 1.894 1.00 0.00 N ATOM 0 H LYS A 18 16.656 -17.407 1.513 1.00 0.00 H new ATOM 0 HA LYS A 18 17.017 -14.807 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.974 -17.514 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.627 -15.934 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.267 -15.723 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.829 -17.411 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.449 -17.922 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.990 -16.259 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.908 -17.867 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.164 -18.249 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.106 -16.635 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.615 -15.742 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.693 -15.696 2.503 1.00 0.00 H new ATOM 284 N ILE A 19 16.164 -15.794 -2.228 1.00 0.00 N ATOM 285 CA ILE A 19 15.245 -15.958 -3.347 1.00 0.00 C ATOM 286 C ILE A 19 15.991 -16.350 -4.618 1.00 0.00 C ATOM 287 O ILE A 19 17.131 -15.938 -4.833 1.00 0.00 O ATOM 288 CB ILE A 19 14.446 -14.668 -3.613 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.383 -13.543 -4.055 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.670 -14.261 -2.369 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.661 -12.267 -4.430 1.00 0.00 C ATOM 0 H ILE A 19 17.083 -15.436 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 19 14.554 -16.755 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 19 13.734 -14.858 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.086 -13.330 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.969 -13.884 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.110 -13.348 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.978 -15.057 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.365 -14.086 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.388 -11.513 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.978 -12.465 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.097 -11.902 -3.572 1.00 0.00 H new ATOM 303 N SER A 20 15.340 -17.149 -5.457 1.00 0.00 N ATOM 304 CA SER A 20 15.943 -17.599 -6.707 1.00 0.00 C ATOM 305 C SER A 20 16.328 -16.411 -7.583 1.00 0.00 C ATOM 306 O SER A 20 15.466 -15.687 -8.083 1.00 0.00 O ATOM 307 CB SER A 20 14.976 -18.513 -7.463 1.00 0.00 C ATOM 308 OG SER A 20 14.714 -19.697 -6.729 1.00 0.00 O ATOM 0 H SER A 20 14.396 -17.498 -5.294 1.00 0.00 H new ATOM 0 HA SER A 20 16.847 -18.158 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.042 -17.984 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.398 -18.770 -8.435 1.00 0.00 H new ATOM 0 HG SER A 20 14.093 -20.263 -7.233 1.00 0.00 H new ATOM 314 N LEU A 21 17.630 -16.217 -7.765 1.00 0.00 N ATOM 315 CA LEU A 21 18.132 -15.117 -8.582 1.00 0.00 C ATOM 316 C LEU A 21 17.866 -15.372 -10.062 1.00 0.00 C ATOM 317 O LEU A 21 17.091 -14.656 -10.696 1.00 0.00 O ATOM 318 CB LEU A 21 19.631 -14.925 -8.347 1.00 0.00 C ATOM 319 CG LEU A 21 20.227 -13.611 -8.853 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.706 -13.780 -9.163 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.475 -13.123 -10.082 1.00 0.00 C ATOM 0 H LEU A 21 18.356 -16.806 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 21 17.605 -14.209 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.823 -14.999 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.162 -15.749 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 21 20.125 -12.862 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.113 -12.835 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.235 -14.083 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.832 -14.544 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.913 -12.187 -10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.545 -13.871 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.428 -12.961 -9.827 1.00 0.00 H new ATOM 333 N SER A 22 18.513 -16.398 -10.606 1.00 0.00 N ATOM 334 CA SER A 22 18.348 -16.747 -12.012 1.00 0.00 C ATOM 335 C SER A 22 16.870 -16.817 -12.384 1.00 0.00 C ATOM 336 O SER A 22 16.510 -16.738 -13.558 1.00 0.00 O ATOM 337 CB SER A 22 19.025 -18.086 -12.310 1.00 0.00 C ATOM 338 OG SER A 22 20.404 -17.910 -12.586 1.00 0.00 O ATOM 0 H SER A 22 19.156 -17.002 -10.094 1.00 0.00 H new ATOM 0 HA SER A 22 18.819 -15.969 -12.612 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.904 -18.756 -11.459 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.538 -18.562 -13.161 1.00 0.00 H new ATOM 0 HG SER A 22 20.814 -18.780 -12.772 1.00 0.00 H new ATOM 344 N GLU A 23 16.018 -16.968 -11.375 1.00 0.00 N ATOM 345 CA GLU A 23 14.579 -17.050 -11.596 1.00 0.00 C ATOM 346 C GLU A 23 13.938 -15.668 -11.522 1.00 0.00 C ATOM 347 O GLU A 23 12.915 -15.410 -12.159 1.00 0.00 O ATOM 348 CB GLU A 23 13.935 -17.979 -10.565 1.00 0.00 C ATOM 349 CG GLU A 23 14.395 -19.423 -10.675 1.00 0.00 C ATOM 350 CD GLU A 23 14.081 -20.034 -12.026 1.00 0.00 C ATOM 351 OE1 GLU A 23 12.895 -20.336 -12.279 1.00 0.00 O ATOM 352 OE2 GLU A 23 15.019 -20.210 -12.831 1.00 0.00 O ATOM 0 H GLU A 23 16.299 -17.036 -10.397 1.00 0.00 H new ATOM 0 HA GLU A 23 14.413 -17.456 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.161 -17.610 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.852 -17.942 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.470 -19.472 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.917 -20.013 -9.893 1.00 0.00 H new ATOM 359 N LEU A 24 14.544 -14.781 -10.741 1.00 0.00 N ATOM 360 CA LEU A 24 14.033 -13.424 -10.583 1.00 0.00 C ATOM 361 C LEU A 24 14.226 -12.617 -11.862 1.00 0.00 C ATOM 362 O LEU A 24 13.273 -12.060 -12.408 1.00 0.00 O ATOM 363 CB LEU A 24 14.734 -12.727 -9.415 1.00 0.00 C ATOM 364 CG LEU A 24 14.182 -11.356 -9.023 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.435 -11.080 -7.549 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.801 -10.265 -9.886 1.00 0.00 C ATOM 0 H LEU A 24 15.390 -14.977 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 24 12.965 -13.486 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.682 -13.380 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.789 -12.614 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 24 13.105 -11.358 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.035 -10.100 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.944 -11.844 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.507 -11.098 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.397 -9.296 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.882 -10.263 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.568 -10.454 -10.934 1.00 0.00 H new ATOM 378 N THR A 25 15.466 -12.559 -12.338 1.00 0.00 N ATOM 379 CA THR A 25 15.785 -11.821 -13.554 1.00 0.00 C ATOM 380 C THR A 25 14.895 -12.259 -14.712 1.00 0.00 C ATOM 381 O THR A 25 14.665 -11.499 -15.653 1.00 0.00 O ATOM 382 CB THR A 25 17.260 -12.009 -13.955 1.00 0.00 C ATOM 383 OG1 THR A 25 17.581 -11.153 -15.057 1.00 0.00 O ATOM 384 CG2 THR A 25 17.538 -13.456 -14.333 1.00 0.00 C ATOM 0 H THR A 25 16.266 -13.015 -11.899 1.00 0.00 H new ATOM 0 HA THR A 25 15.606 -10.767 -13.340 1.00 0.00 H new ATOM 0 HB THR A 25 17.882 -11.748 -13.099 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.773 -10.685 -15.354 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.586 -13.564 -14.612 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.321 -14.102 -13.483 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.907 -13.740 -15.175 1.00 0.00 H new ATOM 392 N ASP A 26 14.397 -13.488 -14.636 1.00 0.00 N ATOM 393 CA ASP A 26 13.530 -14.027 -15.678 1.00 0.00 C ATOM 394 C ASP A 26 12.062 -13.884 -15.292 1.00 0.00 C ATOM 395 O ASP A 26 11.179 -13.908 -16.149 1.00 0.00 O ATOM 396 CB ASP A 26 13.861 -15.498 -15.936 1.00 0.00 C ATOM 397 CG ASP A 26 13.425 -15.957 -17.314 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.912 -15.118 -18.084 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.599 -17.154 -17.623 1.00 0.00 O ATOM 0 H ASP A 26 14.578 -14.130 -13.864 1.00 0.00 H new ATOM 0 HA ASP A 26 13.704 -13.457 -16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.935 -15.650 -15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.375 -16.115 -15.180 1.00 0.00 H new ATOM 404 N ALA A 27 11.808 -13.735 -13.995 1.00 0.00 N ATOM 405 CA ALA A 27 10.447 -13.587 -13.496 1.00 0.00 C ATOM 406 C ALA A 27 10.062 -12.116 -13.379 1.00 0.00 C ATOM 407 O ALA A 27 9.105 -11.767 -12.687 1.00 0.00 O ATOM 408 CB ALA A 27 10.300 -14.282 -12.150 1.00 0.00 C ATOM 0 H ALA A 27 12.527 -13.714 -13.272 1.00 0.00 H new ATOM 0 HA ALA A 27 9.771 -14.056 -14.211 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.278 -14.163 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.525 -15.343 -12.262 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.992 -13.838 -11.434 1.00 0.00 H new ATOM 414 N LEU A 28 10.814 -11.257 -14.058 1.00 0.00 N ATOM 415 CA LEU A 28 10.552 -9.822 -14.030 1.00 0.00 C ATOM 416 C LEU A 28 9.785 -9.384 -15.274 1.00 0.00 C ATOM 417 O LEU A 28 8.762 -8.706 -15.178 1.00 0.00 O ATOM 418 CB LEU A 28 11.866 -9.046 -13.927 1.00 0.00 C ATOM 419 CG LEU A 28 12.391 -8.800 -12.513 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.911 -8.817 -12.497 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.865 -7.478 -11.971 1.00 0.00 C ATOM 0 H LEU A 28 11.610 -11.529 -14.635 1.00 0.00 H new ATOM 0 HA LEU A 28 9.940 -9.606 -13.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.629 -9.587 -14.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.734 -8.081 -14.417 1.00 0.00 H new ATOM 0 HG LEU A 28 12.033 -9.603 -11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.266 -8.640 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.268 -9.787 -12.842 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.291 -8.036 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.249 -7.319 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.193 -6.664 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.776 -7.503 -11.944 1.00 0.00 H new ATOM 433 N ARG A 29 10.286 -9.778 -16.441 1.00 0.00 N ATOM 434 CA ARG A 29 9.647 -9.427 -17.703 1.00 0.00 C ATOM 435 C ARG A 29 8.197 -9.902 -17.730 1.00 0.00 C ATOM 436 O ARG A 29 7.373 -9.376 -18.479 1.00 0.00 O ATOM 437 CB ARG A 29 10.417 -10.038 -18.876 1.00 0.00 C ATOM 438 CG ARG A 29 10.518 -9.119 -20.082 1.00 0.00 C ATOM 439 CD ARG A 29 11.404 -7.917 -19.795 1.00 0.00 C ATOM 440 NE ARG A 29 11.424 -6.973 -20.909 1.00 0.00 N ATOM 441 CZ ARG A 29 12.181 -7.127 -21.989 1.00 0.00 C ATOM 442 NH1 ARG A 29 12.975 -8.183 -22.102 1.00 0.00 N ATOM 443 NH2 ARG A 29 12.144 -6.225 -22.961 1.00 0.00 N ATOM 0 H ARG A 29 11.132 -10.340 -16.538 1.00 0.00 H new ATOM 0 HA ARG A 29 9.657 -8.341 -17.796 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.422 -10.299 -18.544 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.929 -10.965 -19.176 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.919 -9.673 -20.930 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.522 -8.779 -20.366 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.049 -7.411 -18.897 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.419 -8.256 -19.589 1.00 0.00 H new ATOM 0 HE ARG A 29 10.824 -6.150 -20.855 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.006 -8.880 -21.358 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.555 -8.298 -22.933 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.534 -5.412 -22.879 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.726 -6.344 -23.790 1.00 0.00 H new ATOM 457 N THR A 30 7.892 -10.902 -16.909 1.00 0.00 N ATOM 458 CA THR A 30 6.544 -11.450 -16.840 1.00 0.00 C ATOM 459 C THR A 30 5.633 -10.564 -15.997 1.00 0.00 C ATOM 460 O THR A 30 4.409 -10.692 -16.044 1.00 0.00 O ATOM 461 CB THR A 30 6.545 -12.873 -16.250 1.00 0.00 C ATOM 462 OG1 THR A 30 5.235 -13.444 -16.345 1.00 0.00 O ATOM 463 CG2 THR A 30 6.993 -12.857 -14.797 1.00 0.00 C ATOM 0 H THR A 30 8.561 -11.349 -16.282 1.00 0.00 H new ATOM 0 HA THR A 30 6.166 -11.488 -17.862 1.00 0.00 H new ATOM 0 HB THR A 30 7.247 -13.479 -16.823 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.563 -12.736 -16.260 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.985 -13.873 -14.403 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.002 -12.450 -14.732 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.313 -12.236 -14.213 1.00 0.00 H new ATOM 471 N LEU A 31 6.237 -9.665 -15.228 1.00 0.00 N ATOM 472 CA LEU A 31 5.480 -8.756 -14.374 1.00 0.00 C ATOM 473 C LEU A 31 5.408 -7.363 -14.991 1.00 0.00 C ATOM 474 O LEU A 31 5.009 -6.402 -14.334 1.00 0.00 O ATOM 475 CB LEU A 31 6.117 -8.679 -12.986 1.00 0.00 C ATOM 476 CG LEU A 31 6.450 -10.017 -12.325 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.229 -9.798 -11.037 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.179 -10.809 -12.053 1.00 0.00 C ATOM 0 H LEU A 31 7.249 -9.546 -15.178 1.00 0.00 H new ATOM 0 HA LEU A 31 4.466 -9.145 -14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.035 -8.095 -13.061 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.443 -8.130 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 31 7.074 -10.592 -13.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.457 -10.762 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.158 -9.273 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.631 -9.202 -10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.435 -11.758 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.530 -10.238 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.660 -10.998 -12.993 1.00 0.00 H new ATOM 490 N GLY A 32 5.795 -7.262 -16.259 1.00 0.00 N ATOM 491 CA GLY A 32 5.765 -5.983 -16.944 1.00 0.00 C ATOM 492 C GLY A 32 6.897 -5.070 -16.518 1.00 0.00 C ATOM 493 O GLY A 32 6.663 -3.960 -16.042 1.00 0.00 O ATOM 0 H GLY A 32 6.129 -8.043 -16.824 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.822 -6.149 -18.020 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.812 -5.491 -16.747 1.00 0.00 H new ATOM 497 N SER A 33 8.130 -5.539 -16.687 1.00 0.00 N ATOM 498 CA SER A 33 9.303 -4.759 -16.311 1.00 0.00 C ATOM 499 C SER A 33 10.214 -4.535 -17.514 1.00 0.00 C ATOM 500 O SER A 33 9.910 -4.963 -18.628 1.00 0.00 O ATOM 501 CB SER A 33 10.076 -5.466 -15.196 1.00 0.00 C ATOM 502 OG SER A 33 9.215 -6.274 -14.412 1.00 0.00 O ATOM 0 H SER A 33 8.342 -6.455 -17.082 1.00 0.00 H new ATOM 0 HA SER A 33 8.963 -3.789 -15.949 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.864 -6.082 -15.629 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.563 -4.726 -14.561 1.00 0.00 H new ATOM 0 HG SER A 33 8.945 -7.062 -14.929 1.00 0.00 H new ATOM 508 N THR A 34 11.336 -3.860 -17.281 1.00 0.00 N ATOM 509 CA THR A 34 12.292 -3.577 -18.344 1.00 0.00 C ATOM 510 C THR A 34 13.723 -3.814 -17.874 1.00 0.00 C ATOM 511 O THR A 34 14.679 -3.425 -18.544 1.00 0.00 O ATOM 512 CB THR A 34 12.162 -2.126 -18.845 1.00 0.00 C ATOM 513 OG1 THR A 34 11.393 -1.354 -17.916 1.00 0.00 O ATOM 514 CG2 THR A 34 11.503 -2.083 -20.215 1.00 0.00 C ATOM 0 H THR A 34 11.604 -3.499 -16.365 1.00 0.00 H new ATOM 0 HA THR A 34 12.064 -4.258 -19.164 1.00 0.00 H new ATOM 0 HB THR A 34 13.163 -1.703 -18.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.316 -0.433 -18.241 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.422 -1.048 -20.548 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.106 -2.647 -20.927 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.508 -2.523 -20.154 1.00 0.00 H new ATOM 522 N SER A 35 13.862 -4.456 -16.718 1.00 0.00 N ATOM 523 CA SER A 35 15.177 -4.742 -16.157 1.00 0.00 C ATOM 524 C SER A 35 15.388 -6.246 -16.007 1.00 0.00 C ATOM 525 O SER A 35 16.022 -6.703 -15.056 1.00 0.00 O ATOM 526 CB SER A 35 15.336 -4.056 -14.799 1.00 0.00 C ATOM 527 OG SER A 35 16.677 -4.126 -14.346 1.00 0.00 O ATOM 0 H SER A 35 13.081 -4.788 -16.152 1.00 0.00 H new ATOM 0 HA SER A 35 15.930 -4.353 -16.843 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.029 -3.013 -14.877 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.678 -4.528 -14.070 1.00 0.00 H new ATOM 0 HG SER A 35 17.016 -5.038 -14.467 1.00 0.00 H new ATOM 533 N ALA A 36 14.851 -7.009 -16.953 1.00 0.00 N ATOM 534 CA ALA A 36 14.982 -8.461 -16.929 1.00 0.00 C ATOM 535 C ALA A 36 16.245 -8.911 -17.654 1.00 0.00 C ATOM 536 O ALA A 36 17.074 -9.626 -17.091 1.00 0.00 O ATOM 537 CB ALA A 36 13.754 -9.111 -17.549 1.00 0.00 C ATOM 0 H ALA A 36 14.321 -6.646 -17.746 1.00 0.00 H new ATOM 0 HA ALA A 36 15.061 -8.777 -15.889 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.865 -10.195 -17.525 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.867 -8.824 -16.985 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.650 -8.780 -18.582 1.00 0.00 H new ATOM 543 N ASP A 37 16.385 -8.488 -18.905 1.00 0.00 N ATOM 544 CA ASP A 37 17.549 -8.848 -19.708 1.00 0.00 C ATOM 545 C ASP A 37 18.767 -8.027 -19.297 1.00 0.00 C ATOM 546 O ASP A 37 19.866 -8.231 -19.811 1.00 0.00 O ATOM 547 CB ASP A 37 17.255 -8.638 -21.194 1.00 0.00 C ATOM 548 CG ASP A 37 17.754 -9.784 -22.051 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.459 -10.950 -21.714 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.442 -9.516 -23.059 1.00 0.00 O ATOM 0 H ASP A 37 15.708 -7.896 -19.386 1.00 0.00 H new ATOM 0 HA ASP A 37 17.768 -9.902 -19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.180 -8.523 -21.336 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.721 -7.710 -21.526 1.00 0.00 H new ATOM 555 N GLU A 38 18.563 -7.098 -18.368 1.00 0.00 N ATOM 556 CA GLU A 38 19.645 -6.246 -17.890 1.00 0.00 C ATOM 557 C GLU A 38 20.414 -6.925 -16.760 1.00 0.00 C ATOM 558 O GLU A 38 21.639 -7.041 -16.809 1.00 0.00 O ATOM 559 CB GLU A 38 19.092 -4.903 -17.410 1.00 0.00 C ATOM 560 CG GLU A 38 18.432 -4.088 -18.510 1.00 0.00 C ATOM 561 CD GLU A 38 19.415 -3.196 -19.245 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.384 -3.731 -19.823 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.213 -1.964 -19.242 1.00 0.00 O ATOM 0 H GLU A 38 17.659 -6.917 -17.932 1.00 0.00 H new ATOM 0 HA GLU A 38 20.330 -6.073 -18.720 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.366 -5.081 -16.616 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.904 -4.320 -16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.957 -4.763 -19.222 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.642 -3.473 -18.078 1.00 0.00 H new ATOM 570 N VAL A 39 19.686 -7.371 -15.742 1.00 0.00 N ATOM 571 CA VAL A 39 20.297 -8.039 -14.599 1.00 0.00 C ATOM 572 C VAL A 39 20.663 -9.480 -14.936 1.00 0.00 C ATOM 573 O VAL A 39 21.497 -10.091 -14.268 1.00 0.00 O ATOM 574 CB VAL A 39 19.361 -8.031 -13.376 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.003 -8.612 -13.739 1.00 0.00 C ATOM 576 CG2 VAL A 39 19.987 -8.797 -12.221 1.00 0.00 C ATOM 0 H VAL A 39 18.671 -7.282 -15.685 1.00 0.00 H new ATOM 0 HA VAL A 39 21.203 -7.484 -14.356 1.00 0.00 H new ATOM 0 HB VAL A 39 19.214 -6.998 -13.059 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.355 -8.598 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.553 -8.016 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.127 -9.639 -14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.312 -8.781 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.166 -9.829 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.933 -8.331 -11.945 1.00 0.00 H new ATOM 586 N GLN A 40 20.033 -10.017 -15.975 1.00 0.00 N ATOM 587 CA GLN A 40 20.292 -11.388 -16.400 1.00 0.00 C ATOM 588 C GLN A 40 21.785 -11.622 -16.603 1.00 0.00 C ATOM 589 O GLN A 40 22.265 -12.751 -16.504 1.00 0.00 O ATOM 590 CB GLN A 40 19.536 -11.695 -17.694 1.00 0.00 C ATOM 591 CG GLN A 40 18.843 -13.048 -17.688 1.00 0.00 C ATOM 592 CD GLN A 40 19.201 -13.892 -18.896 1.00 0.00 C ATOM 593 OE1 GLN A 40 19.316 -13.383 -20.011 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.381 -15.190 -18.679 1.00 0.00 N ATOM 0 H GLN A 40 19.340 -9.524 -16.538 1.00 0.00 H new ATOM 0 HA GLN A 40 19.941 -12.057 -15.615 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.793 -10.916 -17.864 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.234 -11.657 -18.530 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.114 -13.587 -16.780 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.764 -12.899 -17.660 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.275 -15.569 -17.738 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.625 -15.808 -19.453 1.00 0.00 H new ATOM 603 N ARG A 41 22.514 -10.548 -16.887 1.00 0.00 N ATOM 604 CA ARG A 41 23.953 -10.637 -17.104 1.00 0.00 C ATOM 605 C ARG A 41 24.706 -9.715 -16.150 1.00 0.00 C ATOM 606 O ARG A 41 25.936 -9.686 -16.140 1.00 0.00 O ATOM 607 CB ARG A 41 24.294 -10.279 -18.552 1.00 0.00 C ATOM 608 CG ARG A 41 23.774 -8.916 -18.981 1.00 0.00 C ATOM 609 CD ARG A 41 24.501 -8.406 -20.215 1.00 0.00 C ATOM 610 NE ARG A 41 24.256 -9.248 -21.383 1.00 0.00 N ATOM 611 CZ ARG A 41 23.106 -9.266 -22.048 1.00 0.00 C ATOM 612 NH1 ARG A 41 22.102 -8.490 -21.663 1.00 0.00 N ATOM 613 NH2 ARG A 41 22.959 -10.060 -23.101 1.00 0.00 N ATOM 0 H ARG A 41 22.132 -9.606 -16.972 1.00 0.00 H new ATOM 0 HA ARG A 41 24.262 -11.664 -16.907 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.376 -10.302 -18.678 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.880 -11.041 -19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.706 -8.981 -19.188 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.898 -8.205 -18.164 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.180 -7.387 -20.429 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.572 -8.367 -20.015 1.00 0.00 H new ATOM 0 HE ARG A 41 25.009 -9.855 -21.706 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.212 -7.878 -20.855 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.220 -8.506 -22.175 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.729 -10.657 -23.401 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.076 -10.073 -23.611 1.00 0.00 H new ATOM 627 N MET A 42 23.958 -8.963 -15.349 1.00 0.00 N ATOM 628 CA MET A 42 24.554 -8.040 -14.391 1.00 0.00 C ATOM 629 C MET A 42 24.251 -8.471 -12.959 1.00 0.00 C ATOM 630 O MET A 42 24.480 -7.719 -12.013 1.00 0.00 O ATOM 631 CB MET A 42 24.037 -6.619 -14.628 1.00 0.00 C ATOM 632 CG MET A 42 24.543 -5.997 -15.919 1.00 0.00 C ATOM 633 SD MET A 42 24.567 -4.195 -15.858 1.00 0.00 S ATOM 634 CE MET A 42 24.193 -3.793 -17.563 1.00 0.00 C ATOM 0 H MET A 42 22.938 -8.975 -15.345 1.00 0.00 H new ATOM 0 HA MET A 42 25.634 -8.055 -14.536 1.00 0.00 H new ATOM 0 HB2 MET A 42 22.947 -6.635 -14.645 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.333 -5.989 -13.790 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.549 -6.363 -16.125 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.911 -6.320 -16.746 1.00 0.00 H new ATOM 0 HE1 MET A 42 24.172 -2.710 -17.685 1.00 0.00 H new ATOM 0 HE2 MET A 42 24.958 -4.217 -18.213 1.00 0.00 H new ATOM 0 HE3 MET A 42 23.220 -4.207 -17.829 1.00 0.00 H new ATOM 644 N MET A 43 23.734 -9.687 -12.809 1.00 0.00 N ATOM 645 CA MET A 43 23.400 -10.218 -11.493 1.00 0.00 C ATOM 646 C MET A 43 24.659 -10.641 -10.742 1.00 0.00 C ATOM 647 O MET A 43 24.675 -10.683 -9.512 1.00 0.00 O ATOM 648 CB MET A 43 22.448 -11.407 -11.625 1.00 0.00 C ATOM 649 CG MET A 43 23.094 -12.638 -12.241 1.00 0.00 C ATOM 650 SD MET A 43 21.889 -13.765 -12.967 1.00 0.00 S ATOM 651 CE MET A 43 22.960 -14.835 -13.924 1.00 0.00 C ATOM 0 H MET A 43 23.538 -10.322 -13.583 1.00 0.00 H new ATOM 0 HA MET A 43 22.907 -9.429 -10.925 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.062 -11.664 -10.638 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.594 -11.112 -12.234 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.802 -12.326 -13.008 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.664 -13.165 -11.476 1.00 0.00 H new ATOM 0 HE1 MET A 43 22.360 -15.588 -14.434 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.502 -14.242 -14.661 1.00 0.00 H new ATOM 0 HE3 MET A 43 23.671 -15.326 -13.260 1.00 0.00 H new ATOM 661 N ALA A 44 25.712 -10.954 -11.491 1.00 0.00 N ATOM 662 CA ALA A 44 26.975 -11.372 -10.896 1.00 0.00 C ATOM 663 C ALA A 44 27.950 -10.203 -10.800 1.00 0.00 C ATOM 664 O ALA A 44 29.145 -10.398 -10.581 1.00 0.00 O ATOM 665 CB ALA A 44 27.587 -12.508 -11.701 1.00 0.00 C ATOM 0 H ALA A 44 25.715 -10.926 -12.511 1.00 0.00 H new ATOM 0 HA ALA A 44 26.773 -11.726 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.530 -12.810 -11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.902 -13.356 -11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.769 -12.174 -12.722 1.00 0.00 H new ATOM 671 N GLU A 45 27.432 -8.991 -10.967 1.00 0.00 N ATOM 672 CA GLU A 45 28.259 -7.791 -10.901 1.00 0.00 C ATOM 673 C GLU A 45 27.563 -6.694 -10.102 1.00 0.00 C ATOM 674 O GLU A 45 27.927 -5.521 -10.191 1.00 0.00 O ATOM 675 CB GLU A 45 28.579 -7.287 -12.310 1.00 0.00 C ATOM 676 CG GLU A 45 27.414 -6.580 -12.982 1.00 0.00 C ATOM 677 CD GLU A 45 27.709 -6.210 -14.423 1.00 0.00 C ATOM 678 OE1 GLU A 45 27.766 -7.125 -15.271 1.00 0.00 O ATOM 679 OE2 GLU A 45 27.881 -5.005 -14.702 1.00 0.00 O ATOM 0 H GLU A 45 26.444 -8.813 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 45 29.190 -8.049 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.427 -6.604 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.886 -8.131 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.535 -7.224 -12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.169 -5.678 -12.422 1.00 0.00 H new ATOM 686 N ILE A 46 26.560 -7.083 -9.323 1.00 0.00 N ATOM 687 CA ILE A 46 25.813 -6.133 -8.508 1.00 0.00 C ATOM 688 C ILE A 46 26.018 -6.403 -7.021 1.00 0.00 C ATOM 689 O ILE A 46 26.024 -5.480 -6.207 1.00 0.00 O ATOM 690 CB ILE A 46 24.306 -6.182 -8.824 1.00 0.00 C ATOM 691 CG1 ILE A 46 23.819 -7.632 -8.865 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.019 -5.483 -10.144 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.542 -7.863 -8.088 1.00 0.00 C ATOM 0 H ILE A 46 26.246 -8.050 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 46 26.195 -5.141 -8.751 1.00 0.00 H new ATOM 0 HB ILE A 46 23.766 -5.659 -8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.661 -7.924 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.599 -8.280 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.950 -5.526 -10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.335 -4.442 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.566 -5.980 -10.945 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.256 -8.912 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.701 -7.602 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.748 -7.241 -8.500 1.00 0.00 H new ATOM 705 N ASP A 47 26.189 -7.674 -6.675 1.00 0.00 N ATOM 706 CA ASP A 47 26.398 -8.067 -5.286 1.00 0.00 C ATOM 707 C ASP A 47 26.555 -9.579 -5.167 1.00 0.00 C ATOM 708 O ASP A 47 27.445 -10.070 -4.471 1.00 0.00 O ATOM 709 CB ASP A 47 25.231 -7.593 -4.418 1.00 0.00 C ATOM 710 CG ASP A 47 25.665 -6.605 -3.353 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.799 -6.738 -2.848 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.870 -5.700 -3.024 1.00 0.00 O ATOM 0 H ASP A 47 26.187 -8.450 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 47 27.316 -7.596 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.475 -7.130 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.763 -8.454 -3.941 1.00 0.00 H new ATOM 717 N THR A 48 25.684 -10.316 -5.849 1.00 0.00 N ATOM 718 CA THR A 48 25.724 -11.772 -5.818 1.00 0.00 C ATOM 719 C THR A 48 27.118 -12.291 -6.152 1.00 0.00 C ATOM 720 O THR A 48 27.610 -12.105 -7.265 1.00 0.00 O ATOM 721 CB THR A 48 24.711 -12.383 -6.805 1.00 0.00 C ATOM 722 OG1 THR A 48 23.604 -11.493 -6.986 1.00 0.00 O ATOM 723 CG2 THR A 48 24.209 -13.729 -6.302 1.00 0.00 C ATOM 0 H THR A 48 24.941 -9.927 -6.430 1.00 0.00 H new ATOM 0 HA THR A 48 25.460 -12.074 -4.804 1.00 0.00 H new ATOM 0 HB THR A 48 25.214 -12.534 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.697 -11.026 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.495 -14.141 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.050 -14.414 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.722 -13.598 -5.336 1.00 0.00 H new ATOM 731 N ASP A 49 27.749 -12.942 -5.182 1.00 0.00 N ATOM 732 CA ASP A 49 29.087 -13.490 -5.373 1.00 0.00 C ATOM 733 C ASP A 49 29.113 -14.463 -6.547 1.00 0.00 C ATOM 734 O ASP A 49 29.611 -14.140 -7.625 1.00 0.00 O ATOM 735 CB ASP A 49 29.560 -14.194 -4.100 1.00 0.00 C ATOM 736 CG ASP A 49 29.814 -13.224 -2.963 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.959 -12.015 -3.236 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.869 -13.676 -1.799 1.00 0.00 O ATOM 0 H ASP A 49 27.356 -13.103 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 49 29.763 -12.664 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.811 -14.923 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.475 -14.748 -4.313 1.00 0.00 H new ATOM 743 N GLY A 50 28.573 -15.659 -6.330 1.00 0.00 N ATOM 744 CA GLY A 50 28.545 -16.662 -7.379 1.00 0.00 C ATOM 745 C GLY A 50 27.760 -17.896 -6.980 1.00 0.00 C ATOM 746 O GLY A 50 28.199 -19.022 -7.215 1.00 0.00 O ATOM 0 H GLY A 50 28.155 -15.951 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.106 -16.231 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.566 -16.950 -7.630 1.00 0.00 H new ATOM 750 N ASP A 51 26.596 -17.684 -6.376 1.00 0.00 N ATOM 751 CA ASP A 51 25.747 -18.789 -5.943 1.00 0.00 C ATOM 752 C ASP A 51 24.457 -18.833 -6.756 1.00 0.00 C ATOM 753 O ASP A 51 23.959 -19.907 -7.091 1.00 0.00 O ATOM 754 CB ASP A 51 25.422 -18.657 -4.454 1.00 0.00 C ATOM 755 CG ASP A 51 26.572 -19.097 -3.570 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.071 -20.226 -3.761 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.974 -18.311 -2.686 1.00 0.00 O ATOM 0 H ASP A 51 26.218 -16.758 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 51 26.291 -19.719 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.171 -17.620 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.540 -19.255 -4.223 1.00 0.00 H new ATOM 762 N GLY A 52 23.920 -17.658 -7.070 1.00 0.00 N ATOM 763 CA GLY A 52 22.692 -17.586 -7.840 1.00 0.00 C ATOM 764 C GLY A 52 21.485 -17.274 -6.978 1.00 0.00 C ATOM 765 O GLY A 52 20.353 -17.586 -7.346 1.00 0.00 O ATOM 0 H GLY A 52 24.313 -16.755 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.793 -16.820 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.533 -18.534 -8.354 1.00 0.00 H new ATOM 769 N PHE A 53 21.726 -16.656 -5.826 1.00 0.00 N ATOM 770 CA PHE A 53 20.650 -16.304 -4.908 1.00 0.00 C ATOM 771 C PHE A 53 20.974 -15.015 -4.159 1.00 0.00 C ATOM 772 O PHE A 53 22.077 -14.480 -4.272 1.00 0.00 O ATOM 773 CB PHE A 53 20.409 -17.440 -3.911 1.00 0.00 C ATOM 774 CG PHE A 53 19.908 -18.703 -4.550 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.794 -19.625 -5.083 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.549 -18.968 -4.619 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.336 -20.788 -5.672 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.085 -20.130 -5.206 1.00 0.00 C ATOM 779 CZ PHE A 53 18.979 -21.040 -5.734 1.00 0.00 C ATOM 0 H PHE A 53 22.657 -16.389 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 53 19.744 -16.145 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.339 -17.653 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.688 -17.110 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.856 -19.432 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.845 -18.259 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.038 -21.499 -6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.024 -20.326 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.618 -21.948 -6.195 1.00 0.00 H new ATOM 789 N ILE A 54 20.005 -14.522 -3.395 1.00 0.00 N ATOM 790 CA ILE A 54 20.187 -13.296 -2.627 1.00 0.00 C ATOM 791 C ILE A 54 19.290 -13.282 -1.394 1.00 0.00 C ATOM 792 O ILE A 54 18.084 -13.511 -1.488 1.00 0.00 O ATOM 793 CB ILE A 54 19.889 -12.048 -3.480 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.567 -12.221 -4.231 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.028 -11.788 -4.454 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.248 -11.074 -5.165 1.00 0.00 C ATOM 0 H ILE A 54 19.086 -14.952 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 54 21.231 -13.271 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 54 19.799 -11.186 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.603 -13.147 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.758 -12.326 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.803 -10.903 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.952 -11.626 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.147 -12.648 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.297 -11.264 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.179 -10.148 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.037 -10.982 -5.911 1.00 0.00 H new ATOM 808 N ASP A 55 19.886 -13.009 -0.239 1.00 0.00 N ATOM 809 CA ASP A 55 19.141 -12.961 1.014 1.00 0.00 C ATOM 810 C ASP A 55 18.186 -11.772 1.033 1.00 0.00 C ATOM 811 O ASP A 55 16.967 -11.941 1.059 1.00 0.00 O ATOM 812 CB ASP A 55 20.102 -12.879 2.201 1.00 0.00 C ATOM 813 CG ASP A 55 19.390 -12.555 3.500 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.806 -13.480 4.102 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.417 -11.377 3.914 1.00 0.00 O ATOM 0 H ASP A 55 20.883 -12.817 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 55 18.554 -13.876 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.628 -13.828 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.856 -12.117 2.003 1.00 0.00 H new ATOM 820 N PHE A 56 18.748 -10.567 1.020 1.00 0.00 N ATOM 821 CA PHE A 56 17.947 -9.349 1.038 1.00 0.00 C ATOM 822 C PHE A 56 18.790 -8.137 0.653 1.00 0.00 C ATOM 823 O PHE A 56 18.438 -7.385 -0.253 1.00 0.00 O ATOM 824 CB PHE A 56 17.333 -9.138 2.424 1.00 0.00 C ATOM 825 CG PHE A 56 16.480 -7.905 2.520 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.610 -7.567 1.495 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.547 -7.085 3.634 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.825 -6.433 1.581 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.764 -5.950 3.726 1.00 0.00 C ATOM 830 CZ PHE A 56 14.901 -5.624 2.698 1.00 0.00 C ATOM 0 H PHE A 56 19.755 -10.409 0.997 1.00 0.00 H new ATOM 0 HA PHE A 56 17.147 -9.460 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.730 -10.008 2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.133 -9.075 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.545 -8.197 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.220 -7.336 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.152 -6.179 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.827 -5.319 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.287 -4.738 2.767 1.00 0.00 H new ATOM 840 N ASN A 57 19.907 -7.956 1.351 1.00 0.00 N ATOM 841 CA ASN A 57 20.802 -6.835 1.084 1.00 0.00 C ATOM 842 C ASN A 57 21.173 -6.777 -0.395 1.00 0.00 C ATOM 843 O ASN A 57 21.065 -5.729 -1.030 1.00 0.00 O ATOM 844 CB ASN A 57 22.067 -6.952 1.935 1.00 0.00 C ATOM 845 CG ASN A 57 22.694 -5.602 2.228 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.677 -5.212 1.598 1.00 0.00 O ATOM 847 ND2 ASN A 57 22.125 -4.882 3.188 1.00 0.00 N ATOM 0 H ASN A 57 20.214 -8.571 2.105 1.00 0.00 H new ATOM 0 HA ASN A 57 20.281 -5.914 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.825 -7.449 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.792 -7.582 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.502 -3.965 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.311 -5.246 3.684 1.00 0.00 H new ATOM 854 N GLU A 58 21.611 -7.910 -0.935 1.00 0.00 N ATOM 855 CA GLU A 58 21.999 -7.986 -2.338 1.00 0.00 C ATOM 856 C GLU A 58 20.807 -7.701 -3.248 1.00 0.00 C ATOM 857 O GLU A 58 20.968 -7.196 -4.360 1.00 0.00 O ATOM 858 CB GLU A 58 22.578 -9.366 -2.656 1.00 0.00 C ATOM 859 CG GLU A 58 23.635 -9.825 -1.665 1.00 0.00 C ATOM 860 CD GLU A 58 24.731 -8.797 -1.463 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.466 -7.767 -0.810 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.855 -9.024 -1.959 1.00 0.00 O ATOM 0 H GLU A 58 21.706 -8.787 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 58 22.762 -7.229 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.768 -10.095 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 58 23.013 -9.347 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 58 23.161 -10.038 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.077 -10.757 -2.017 1.00 0.00 H new ATOM 869 N PHE A 59 19.612 -8.030 -2.769 1.00 0.00 N ATOM 870 CA PHE A 59 18.393 -7.811 -3.538 1.00 0.00 C ATOM 871 C PHE A 59 18.041 -6.327 -3.590 1.00 0.00 C ATOM 872 O PHE A 59 17.553 -5.829 -4.604 1.00 0.00 O ATOM 873 CB PHE A 59 17.233 -8.601 -2.931 1.00 0.00 C ATOM 874 CG PHE A 59 15.880 -8.083 -3.330 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.255 -8.550 -4.475 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.234 -7.130 -2.560 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.011 -8.074 -4.845 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.990 -6.650 -2.924 1.00 0.00 C ATOM 879 CZ PHE A 59 13.378 -7.124 -4.068 1.00 0.00 C ATOM 0 H PHE A 59 19.462 -8.449 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 59 18.568 -8.160 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.317 -9.645 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.317 -8.576 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.745 -9.294 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.708 -6.757 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.535 -8.445 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.498 -5.906 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.405 -6.752 -4.354 1.00 0.00 H new ATOM 889 N ILE A 60 18.292 -5.627 -2.488 1.00 0.00 N ATOM 890 CA ILE A 60 18.002 -4.201 -2.407 1.00 0.00 C ATOM 891 C ILE A 60 19.060 -3.383 -3.139 1.00 0.00 C ATOM 892 O ILE A 60 18.806 -2.253 -3.558 1.00 0.00 O ATOM 893 CB ILE A 60 17.921 -3.725 -0.945 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.785 -4.443 -0.214 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.726 -2.217 -0.889 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.408 -4.023 -0.677 1.00 0.00 C ATOM 0 H ILE A 60 18.695 -6.024 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 60 17.034 -4.048 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 60 18.859 -3.969 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.895 -5.518 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.874 -4.252 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.671 -1.896 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.566 -1.723 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.801 -1.950 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.652 -4.572 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.278 -2.954 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.300 -4.240 -1.740 1.00 0.00 H new ATOM 908 N SER A 61 20.247 -3.961 -3.291 1.00 0.00 N ATOM 909 CA SER A 61 21.346 -3.285 -3.971 1.00 0.00 C ATOM 910 C SER A 61 20.972 -2.957 -5.413 1.00 0.00 C ATOM 911 O SER A 61 21.196 -1.843 -5.887 1.00 0.00 O ATOM 912 CB SER A 61 22.604 -4.155 -3.943 1.00 0.00 C ATOM 913 OG SER A 61 23.514 -3.768 -4.957 1.00 0.00 O ATOM 0 H SER A 61 20.473 -4.896 -2.952 1.00 0.00 H new ATOM 0 HA SER A 61 21.547 -2.352 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.085 -4.073 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.329 -5.201 -4.076 1.00 0.00 H new ATOM 0 HG SER A 61 24.184 -4.472 -5.081 1.00 0.00 H new ATOM 919 N PHE A 62 20.401 -3.936 -6.107 1.00 0.00 N ATOM 920 CA PHE A 62 19.996 -3.753 -7.496 1.00 0.00 C ATOM 921 C PHE A 62 18.682 -2.983 -7.583 1.00 0.00 C ATOM 922 O PHE A 62 18.321 -2.467 -8.642 1.00 0.00 O ATOM 923 CB PHE A 62 19.852 -5.109 -8.190 1.00 0.00 C ATOM 924 CG PHE A 62 18.494 -5.335 -8.789 1.00 0.00 C ATOM 925 CD1 PHE A 62 17.430 -5.736 -7.997 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.280 -5.146 -10.145 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.179 -5.945 -8.545 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.030 -5.352 -10.699 1.00 0.00 C ATOM 929 CZ PHE A 62 15.979 -5.753 -9.898 1.00 0.00 C ATOM 0 H PHE A 62 20.208 -4.864 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 62 20.770 -3.174 -8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 62 20.604 -5.188 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.059 -5.900 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.580 -5.887 -6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.099 -4.834 -10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.359 -6.258 -7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.876 -5.199 -11.757 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.002 -5.916 -10.329 1.00 0.00 H new ATOM 939 N CYS A 63 17.971 -2.910 -6.464 1.00 0.00 N ATOM 940 CA CYS A 63 16.695 -2.204 -6.412 1.00 0.00 C ATOM 941 C CYS A 63 16.908 -0.714 -6.165 1.00 0.00 C ATOM 942 O CYS A 63 16.331 -0.139 -5.244 1.00 0.00 O ATOM 943 CB CYS A 63 15.806 -2.794 -5.316 1.00 0.00 C ATOM 944 SG CYS A 63 15.096 -4.404 -5.728 1.00 0.00 S ATOM 0 H CYS A 63 18.256 -3.331 -5.580 1.00 0.00 H new ATOM 0 HA CYS A 63 16.200 -2.327 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.391 -2.890 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.996 -2.095 -5.105 1.00 0.00 H new ATOM 0 HG CYS A 63 15.775 -4.942 -6.697 1.00 0.00 H new ATOM 950 N ASN A 64 17.742 -0.096 -6.995 1.00 0.00 N ATOM 951 CA ASN A 64 18.033 1.328 -6.865 1.00 0.00 C ATOM 952 C ASN A 64 16.764 2.159 -7.022 1.00 0.00 C ATOM 953 O ASN A 64 16.567 3.150 -6.319 1.00 0.00 O ATOM 954 CB ASN A 64 19.069 1.755 -7.907 1.00 0.00 C ATOM 955 CG ASN A 64 20.369 0.985 -7.780 1.00 0.00 C ATOM 956 OD1 ASN A 64 21.008 0.993 -6.728 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.766 0.314 -8.855 1.00 0.00 N ATOM 0 H ASN A 64 18.228 -0.558 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 64 18.438 1.501 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.658 1.606 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.270 2.821 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.633 -0.223 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.204 0.336 -9.706 1.00 0.00 H new ATOM 964 N ALA A 65 15.905 1.748 -7.950 1.00 0.00 N ATOM 965 CA ALA A 65 14.654 2.453 -8.198 1.00 0.00 C ATOM 966 C ALA A 65 14.911 3.894 -8.625 1.00 0.00 C ATOM 967 O ALA A 65 14.184 4.807 -8.234 1.00 0.00 O ATOM 968 CB ALA A 65 13.773 2.417 -6.958 1.00 0.00 C ATOM 0 H ALA A 65 16.053 0.931 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 65 14.136 1.947 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.842 2.947 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.552 1.382 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.293 2.896 -6.128 1.00 0.00 H new ATOM 974 N ASN A 66 15.950 4.092 -9.430 1.00 0.00 N ATOM 975 CA ASN A 66 16.303 5.423 -9.909 1.00 0.00 C ATOM 976 C ASN A 66 15.483 5.793 -11.141 1.00 0.00 C ATOM 977 O ASN A 66 14.668 6.716 -11.120 1.00 0.00 O ATOM 978 CB ASN A 66 17.796 5.490 -10.238 1.00 0.00 C ATOM 979 CG ASN A 66 18.580 6.278 -9.206 1.00 0.00 C ATOM 980 OD1 ASN A 66 19.235 7.269 -9.532 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.518 5.840 -7.954 1.00 0.00 N ATOM 0 H ASN A 66 16.562 3.348 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 66 16.079 6.138 -9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 66 18.197 4.479 -10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.929 5.947 -11.218 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.026 6.329 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.963 5.014 -7.729 1.00 0.00 H new ATOM 988 N PRO A 67 15.702 5.058 -12.241 1.00 0.00 N ATOM 989 CA PRO A 67 14.992 5.289 -13.502 1.00 0.00 C ATOM 990 C PRO A 67 13.519 4.903 -13.418 1.00 0.00 C ATOM 991 O PRO A 67 12.659 5.566 -13.996 1.00 0.00 O ATOM 992 CB PRO A 67 15.727 4.383 -14.494 1.00 0.00 C ATOM 993 CG PRO A 67 16.317 3.303 -13.655 1.00 0.00 C ATOM 994 CD PRO A 67 16.659 3.943 -12.337 1.00 0.00 C ATOM 0 HA PRO A 67 14.993 6.342 -13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.044 3.976 -15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.499 4.931 -15.034 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.611 2.484 -13.520 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.205 2.883 -14.127 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.545 3.243 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.690 4.296 -12.317 1.00 0.00 H new ATOM 1002 N GLY A 68 13.235 3.825 -12.693 1.00 0.00 N ATOM 1003 CA GLY A 68 11.865 3.369 -12.546 1.00 0.00 C ATOM 1004 C GLY A 68 11.727 1.873 -12.745 1.00 0.00 C ATOM 1005 O GLY A 68 10.722 1.399 -13.276 1.00 0.00 O ATOM 0 H GLY A 68 13.929 3.259 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.501 3.635 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.233 3.888 -13.267 1.00 0.00 H new ATOM 1009 N LEU A 69 12.740 1.126 -12.319 1.00 0.00 N ATOM 1010 CA LEU A 69 12.728 -0.327 -12.453 1.00 0.00 C ATOM 1011 C LEU A 69 12.042 -0.979 -11.258 1.00 0.00 C ATOM 1012 O LEU A 69 11.548 -2.103 -11.350 1.00 0.00 O ATOM 1013 CB LEU A 69 14.156 -0.858 -12.588 1.00 0.00 C ATOM 1014 CG LEU A 69 15.106 -0.529 -11.436 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.702 -1.803 -10.856 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.207 0.412 -11.903 1.00 0.00 C ATOM 0 H LEU A 69 13.579 1.502 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 69 12.166 -0.579 -13.352 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.111 -1.942 -12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.584 -0.463 -13.509 1.00 0.00 H new ATOM 0 HG LEU A 69 14.536 -0.028 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.376 -1.550 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.902 -2.442 -10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.256 -2.331 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.873 0.635 -11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.774 -0.061 -12.704 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.763 1.337 -12.270 1.00 0.00 H new ATOM 1028 N MET A 70 12.013 -0.266 -10.137 1.00 0.00 N ATOM 1029 CA MET A 70 11.383 -0.774 -8.924 1.00 0.00 C ATOM 1030 C MET A 70 10.194 0.092 -8.524 1.00 0.00 C ATOM 1031 O MET A 70 9.302 -0.354 -7.801 1.00 0.00 O ATOM 1032 CB MET A 70 12.399 -0.826 -7.780 1.00 0.00 C ATOM 1033 CG MET A 70 13.718 -1.474 -8.168 1.00 0.00 C ATOM 1034 SD MET A 70 13.519 -3.182 -8.711 1.00 0.00 S ATOM 1035 CE MET A 70 12.324 -3.780 -7.518 1.00 0.00 C ATOM 0 H MET A 70 12.418 0.665 -10.043 1.00 0.00 H new ATOM 0 HA MET A 70 11.022 -1.782 -9.127 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.591 0.188 -7.429 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.965 -1.376 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.182 -0.895 -8.966 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.397 -1.444 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.444 -4.856 -7.391 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.484 -3.282 -6.562 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.316 -3.566 -7.874 1.00 0.00 H new ATOM 1045 N LYS A 71 10.185 1.334 -8.998 1.00 0.00 N ATOM 1046 CA LYS A 71 9.105 2.263 -8.692 1.00 0.00 C ATOM 1047 C LYS A 71 7.923 2.053 -9.632 1.00 0.00 C ATOM 1048 O LYS A 71 6.806 2.487 -9.348 1.00 0.00 O ATOM 1049 CB LYS A 71 9.602 3.707 -8.796 1.00 0.00 C ATOM 1050 CG LYS A 71 8.830 4.680 -7.922 1.00 0.00 C ATOM 1051 CD LYS A 71 9.597 5.976 -7.718 1.00 0.00 C ATOM 1052 CE LYS A 71 8.795 6.976 -6.899 1.00 0.00 C ATOM 1053 NZ LYS A 71 7.492 7.301 -7.543 1.00 0.00 N ATOM 0 H LYS A 71 10.915 1.720 -9.596 1.00 0.00 H new ATOM 0 HA LYS A 71 8.773 2.071 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.656 3.741 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.534 4.032 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.865 4.896 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.628 4.220 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.541 5.766 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.842 6.411 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.617 6.570 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.375 7.890 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.100 8.165 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.636 7.452 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.828 6.513 -7.400 1.00 0.00 H new ATOM 1067 N ASP A 72 8.175 1.383 -10.751 1.00 0.00 N ATOM 1068 CA ASP A 72 7.130 1.112 -11.732 1.00 0.00 C ATOM 1069 C ASP A 72 7.115 -0.364 -12.116 1.00 0.00 C ATOM 1070 O ASP A 72 7.051 -0.708 -13.297 1.00 0.00 O ATOM 1071 CB ASP A 72 7.336 1.974 -12.979 1.00 0.00 C ATOM 1072 CG ASP A 72 7.740 3.396 -12.639 1.00 0.00 C ATOM 1073 OD1 ASP A 72 7.173 3.961 -11.680 1.00 0.00 O ATOM 1074 OD2 ASP A 72 8.623 3.943 -13.332 1.00 0.00 O ATOM 0 H ASP A 72 9.094 1.017 -11.002 1.00 0.00 H new ATOM 0 HA ASP A 72 6.169 1.362 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.103 1.522 -13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.415 1.990 -13.562 1.00 0.00 H new ATOM 1079 N VAL A 73 7.175 -1.233 -11.112 1.00 0.00 N ATOM 1080 CA VAL A 73 7.169 -2.672 -11.344 1.00 0.00 C ATOM 1081 C VAL A 73 6.260 -3.385 -10.349 1.00 0.00 C ATOM 1082 O VAL A 73 5.679 -4.424 -10.658 1.00 0.00 O ATOM 1083 CB VAL A 73 8.587 -3.263 -11.244 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.809 -3.889 -9.875 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.818 -4.283 -12.349 1.00 0.00 C ATOM 0 H VAL A 73 7.228 -0.965 -10.129 1.00 0.00 H new ATOM 0 HA VAL A 73 6.790 -2.828 -12.354 1.00 0.00 H new ATOM 0 HB VAL A 73 9.308 -2.455 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.817 -4.302 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.688 -3.129 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.082 -4.686 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.825 -4.691 -12.263 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.091 -5.090 -12.257 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.703 -3.800 -13.320 1.00 0.00 H new ATOM 1095 N ALA A 74 6.144 -2.819 -9.152 1.00 0.00 N ATOM 1096 CA ALA A 74 5.304 -3.399 -8.111 1.00 0.00 C ATOM 1097 C ALA A 74 3.851 -2.965 -8.273 1.00 0.00 C ATOM 1098 O ALA A 74 2.972 -3.416 -7.538 1.00 0.00 O ATOM 1099 CB ALA A 74 5.824 -3.008 -6.736 1.00 0.00 C ATOM 0 H ALA A 74 6.621 -1.960 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 74 5.344 -4.484 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.188 -3.448 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.844 -3.373 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.814 -1.922 -6.638 1.00 0.00 H new ATOM 1105 N LYS A 75 3.605 -2.086 -9.238 1.00 0.00 N ATOM 1106 CA LYS A 75 2.258 -1.591 -9.497 1.00 0.00 C ATOM 1107 C LYS A 75 1.805 -1.958 -10.907 1.00 0.00 C ATOM 1108 O LYS A 75 0.625 -1.845 -11.239 1.00 0.00 O ATOM 1109 CB LYS A 75 2.206 -0.072 -9.312 1.00 0.00 C ATOM 1110 CG LYS A 75 3.496 0.631 -9.698 1.00 0.00 C ATOM 1111 CD LYS A 75 4.441 0.752 -8.514 1.00 0.00 C ATOM 1112 CE LYS A 75 4.245 2.067 -7.776 1.00 0.00 C ATOM 1113 NZ LYS A 75 5.419 2.406 -6.925 1.00 0.00 N ATOM 0 H LYS A 75 4.321 -1.701 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 75 1.582 -2.061 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.389 0.331 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.978 0.151 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.986 0.080 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.268 1.624 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.275 -0.079 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.472 0.678 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.076 2.867 -8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.352 2.005 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.226 3.283 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.596 1.632 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.257 2.541 -7.527 1.00 0.00 H new ATOM 1127 N VAL A 76 2.750 -2.398 -11.731 1.00 0.00 N ATOM 1128 CA VAL A 76 2.448 -2.784 -13.104 1.00 0.00 C ATOM 1129 C VAL A 76 1.285 -3.769 -13.155 1.00 0.00 C ATOM 1130 O VAL A 76 0.173 -3.414 -13.547 1.00 0.00 O ATOM 1131 CB VAL A 76 3.672 -3.416 -13.792 1.00 0.00 C ATOM 1132 CG1 VAL A 76 3.289 -3.978 -15.153 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.794 -2.397 -13.923 1.00 0.00 C ATOM 0 H VAL A 76 3.732 -2.496 -11.472 1.00 0.00 H new ATOM 0 HA VAL A 76 2.172 -1.873 -13.635 1.00 0.00 H new ATOM 0 HB VAL A 76 4.030 -4.239 -13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.167 -4.420 -15.624 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.521 -4.741 -15.028 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.905 -3.176 -15.783 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.651 -2.860 -14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.450 -1.552 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.086 -2.048 -12.933 1.00 0.00 H new ATOM 1143 N PHE A 77 1.549 -5.008 -12.755 1.00 0.00 N ATOM 1144 CA PHE A 77 0.525 -6.046 -12.754 1.00 0.00 C ATOM 1145 C PHE A 77 0.210 -6.499 -11.332 1.00 0.00 C ATOM 1146 O PHE A 77 0.480 -7.640 -10.960 1.00 0.00 O ATOM 1147 CB PHE A 77 0.980 -7.242 -13.593 1.00 0.00 C ATOM 1148 CG PHE A 77 -0.146 -8.144 -14.012 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -1.272 -7.626 -14.631 1.00 0.00 C ATOM 1150 CD2 PHE A 77 -0.077 -9.509 -13.787 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -2.310 -8.454 -15.016 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -1.112 -10.342 -14.170 1.00 0.00 C ATOM 1153 CZ PHE A 77 -2.229 -9.814 -14.787 1.00 0.00 C ATOM 0 H PHE A 77 2.464 -5.318 -12.427 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.381 -5.627 -13.192 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.493 -6.877 -14.483 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.706 -7.821 -13.022 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.340 -6.564 -14.815 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.795 -9.927 -13.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.184 -8.038 -15.496 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.047 -11.404 -13.987 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.037 -10.463 -15.090 1.00 0.00 H new TER 1163 PHE A 77