USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.094! (180deg=-0.148!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.024) USER MOD Single : A 6 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=-0.079) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.0316 F(o=-0.74,f=0.032) USER MOD Single : A 8 HIS : no HD1:sc= -0.359 X(o=-0.36,f=0.081) USER MOD Single : A 9 MET CE :methyl -142:sc= -0.148 (180deg=-0.711) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 15 GLN : amide:sc= -4.45! C(o=-4.5!,f=-9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.5) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 145:sc= -0.142 (180deg=-1.28) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.43) USER MOD Single : A 33 ASN : amide:sc= -0.824 X(o=-0.82,f=-0.47) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -7:sc= 1.1 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 139:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0475) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 61 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.6!) USER MOD Single : A 62 CYS SG : rot 91:sc= -4.56! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -164:sc= -0.0491 (180deg=-0.338) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3.9!) USER MOD Single : A 83 ASN : amide:sc= 0.21 K(o=0.21,f=-0.69) USER MOD Single : A 84 GLN : amide:sc= -0.0359 X(o=-0.036,f=0.37) USER MOD Single : A 85 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0.035) USER MOD Single : A 86 SER OG : rot -42:sc= 0.718 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.192 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.169 -50.594 4.177 1.00 73.22 N ATOM 2 CA MET A 1 -6.280 -49.319 3.427 1.00 15.13 C ATOM 3 C MET A 1 -5.196 -48.346 3.877 1.00 45.32 C ATOM 4 O MET A 1 -4.313 -48.713 4.655 1.00 32.32 O ATOM 5 CB MET A 1 -7.668 -48.692 3.641 1.00 22.50 C ATOM 6 CG MET A 1 -8.817 -49.560 3.151 1.00 70.23 C ATOM 7 SD MET A 1 -8.837 -51.185 3.934 1.00 24.24 S ATOM 8 CE MET A 1 -10.279 -51.913 3.160 1.00 64.32 C ATOM 0 H1 MET A 1 -7.106 -51.041 4.242 1.00 73.22 H new ATOM 0 H2 MET A 1 -5.514 -51.232 3.682 1.00 73.22 H new ATOM 0 H3 MET A 1 -5.809 -50.404 5.134 1.00 73.22 H new ATOM 0 HA MET A 1 -6.148 -49.529 2.366 1.00 15.13 H new ATOM 0 HB2 MET A 1 -7.805 -48.490 4.703 1.00 22.50 H new ATOM 0 HB3 MET A 1 -7.706 -47.732 3.127 1.00 22.50 H new ATOM 0 HG2 MET A 1 -9.761 -49.053 3.349 1.00 70.23 H new ATOM 0 HG3 MET A 1 -8.741 -49.682 2.070 1.00 70.23 H new ATOM 0 HE1 MET A 1 -10.426 -52.923 3.542 1.00 64.32 H new ATOM 0 HE2 MET A 1 -11.157 -51.309 3.386 1.00 64.32 H new ATOM 0 HE3 MET A 1 -10.133 -51.951 2.081 1.00 64.32 H new ATOM 20 N ALA A 2 -5.254 -47.120 3.350 1.00 54.21 N ATOM 21 CA ALA A 2 -4.378 -46.023 3.777 1.00 14.23 C ATOM 22 C ALA A 2 -2.924 -46.240 3.356 1.00 44.12 C ATOM 23 O ALA A 2 -2.019 -45.565 3.854 1.00 53.24 O ATOM 24 CB ALA A 2 -4.477 -45.811 5.285 1.00 73.44 C ATOM 0 H ALA A 2 -5.910 -46.859 2.614 1.00 54.21 H new ATOM 0 HA ALA A 2 -4.725 -45.122 3.271 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -3.820 -44.993 5.581 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -5.505 -45.565 5.551 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -4.177 -46.723 5.801 1.00 73.44 H new ATOM 30 N HIS A 3 -2.703 -47.153 2.411 1.00 41.44 N ATOM 31 CA HIS A 3 -1.356 -47.421 1.905 1.00 1.43 C ATOM 32 C HIS A 3 -1.076 -46.573 0.669 1.00 4.31 C ATOM 33 O HIS A 3 -0.044 -46.730 0.014 1.00 2.31 O ATOM 34 CB HIS A 3 -1.172 -48.912 1.593 1.00 5.12 C ATOM 35 CG HIS A 3 -1.061 -49.760 2.822 1.00 63.14 C ATOM 36 ND1 HIS A 3 0.098 -49.857 3.561 1.00 24.54 N ATOM 37 CD2 HIS A 3 -1.970 -50.539 3.453 1.00 72.24 C ATOM 38 CE1 HIS A 3 -0.103 -50.658 4.588 1.00 45.21 C ATOM 39 NE2 HIS A 3 -1.348 -51.086 4.546 1.00 10.03 N ATOM 0 H HIS A 3 -3.436 -47.718 1.981 1.00 41.44 H new ATOM 0 HA HIS A 3 -0.640 -47.151 2.681 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -2.015 -49.259 0.995 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -0.276 -49.042 0.987 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -2.995 -50.700 3.152 1.00 72.24 H new ATOM 0 HE1 HIS A 3 0.629 -50.919 5.337 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -1.779 -51.721 5.217 1.00 10.03 H new ATOM 48 N HIS A 4 -2.009 -45.677 0.363 1.00 40.34 N ATOM 49 CA HIS A 4 -1.840 -44.700 -0.707 1.00 51.01 C ATOM 50 C HIS A 4 -2.251 -43.322 -0.202 1.00 53.23 C ATOM 51 O HIS A 4 -3.439 -43.039 -0.040 1.00 0.34 O ATOM 52 CB HIS A 4 -2.662 -45.087 -1.947 1.00 50.20 C ATOM 53 CG HIS A 4 -2.655 -44.042 -3.031 1.00 33.32 C ATOM 54 ND1 HIS A 4 -1.542 -43.745 -3.791 1.00 30.31 N ATOM 55 CD2 HIS A 4 -3.635 -43.218 -3.475 1.00 2.31 C ATOM 56 CE1 HIS A 4 -1.839 -42.788 -4.651 1.00 13.25 C ATOM 57 NE2 HIS A 4 -3.103 -42.450 -4.482 1.00 22.43 N ATOM 0 H HIS A 4 -2.903 -45.608 0.849 1.00 40.34 H new ATOM 0 HA HIS A 4 -0.791 -44.680 -1.001 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -2.272 -46.021 -2.353 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -3.692 -45.276 -1.644 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -4.649 -43.173 -3.105 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -1.161 -42.355 -5.372 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -3.603 -41.736 -5.012 1.00 22.43 H new ATOM 66 N HIS A 5 -1.257 -42.483 0.069 1.00 52.40 N ATOM 67 CA HIS A 5 -1.499 -41.139 0.584 1.00 51.23 C ATOM 68 C HIS A 5 -2.150 -40.271 -0.488 1.00 25.42 C ATOM 69 O HIS A 5 -1.954 -40.504 -1.684 1.00 52.12 O ATOM 70 CB HIS A 5 -0.186 -40.502 1.069 1.00 11.32 C ATOM 71 CG HIS A 5 0.477 -41.259 2.185 1.00 24.41 C ATOM 72 ND1 HIS A 5 1.616 -40.816 2.821 1.00 1.43 N ATOM 73 CD2 HIS A 5 0.160 -42.439 2.770 1.00 64.02 C ATOM 74 CE1 HIS A 5 1.969 -41.689 3.745 1.00 33.02 C ATOM 75 NE2 HIS A 5 1.103 -42.680 3.734 1.00 22.00 N ATOM 0 H HIS A 5 -0.271 -42.711 -0.060 1.00 52.40 H new ATOM 0 HA HIS A 5 -2.179 -41.211 1.433 1.00 51.23 H new ATOM 0 HB2 HIS A 5 0.505 -40.431 0.229 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -0.388 -39.484 1.402 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -0.680 -43.072 2.523 1.00 64.02 H new ATOM 0 HE1 HIS A 5 2.824 -41.605 4.400 1.00 33.02 H new ATOM 0 HE2 HIS A 5 1.130 -43.496 4.345 1.00 22.00 H new ATOM 84 N HIS A 6 -2.923 -39.278 -0.049 1.00 34.21 N ATOM 85 CA HIS A 6 -3.656 -38.394 -0.960 1.00 74.21 C ATOM 86 C HIS A 6 -2.689 -37.685 -1.901 1.00 71.31 C ATOM 87 O HIS A 6 -2.938 -37.583 -3.102 1.00 5.52 O ATOM 88 CB HIS A 6 -4.462 -37.352 -0.170 1.00 64.32 C ATOM 89 CG HIS A 6 -5.326 -37.937 0.902 1.00 13.35 C ATOM 90 ND1 HIS A 6 -5.033 -37.825 2.243 1.00 0.10 N ATOM 91 CD2 HIS A 6 -6.483 -38.637 0.829 1.00 40.24 C ATOM 92 CE1 HIS A 6 -5.968 -38.432 2.948 1.00 55.12 C ATOM 93 NE2 HIS A 6 -6.859 -38.932 2.115 1.00 52.24 N ATOM 0 H HIS A 6 -3.059 -39.063 0.939 1.00 34.21 H new ATOM 0 HA HIS A 6 -4.344 -39.004 -1.545 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -3.772 -36.640 0.282 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -5.090 -36.791 -0.863 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -7.011 -38.912 -0.072 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -5.998 -38.507 4.025 1.00 55.12 H new ATOM 0 HE2 HIS A 6 -7.693 -39.454 2.383 1.00 52.24 H new ATOM 102 N HIS A 7 -1.598 -37.178 -1.329 1.00 31.13 N ATOM 103 CA HIS A 7 -0.522 -36.547 -2.096 1.00 13.43 C ATOM 104 C HIS A 7 -1.033 -35.305 -2.838 1.00 13.23 C ATOM 105 O HIS A 7 -0.471 -34.899 -3.855 1.00 24.42 O ATOM 106 CB HIS A 7 0.087 -37.558 -3.089 1.00 45.10 C ATOM 107 CG HIS A 7 1.500 -37.247 -3.494 1.00 22.34 C ATOM 108 ND1 HIS A 7 2.010 -36.267 -4.276 1.00 12.53 N flip ATOM 109 CD2 HIS A 7 2.576 -37.999 -3.078 1.00 21.41 C flip ATOM 110 CE1 HIS A 7 3.369 -36.443 -4.316 1.00 22.12 C flip ATOM 111 NE2 HIS A 7 3.684 -37.496 -3.584 1.00 52.52 N flip ATOM 0 H HIS A 7 -1.434 -37.192 -0.322 1.00 31.13 H new ATOM 0 HA HIS A 7 0.254 -36.228 -1.400 1.00 13.43 H new ATOM 0 HB2 HIS A 7 0.059 -38.552 -2.642 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -0.536 -37.593 -3.983 1.00 45.10 H new ATOM 0 HD1 HIS A 7 1.481 -35.534 -4.748 1.00 12.53 H new ATOM 0 HD2 HIS A 7 2.520 -38.866 -2.437 1.00 21.41 H new ATOM 0 HE1 HIS A 7 4.067 -35.822 -4.857 1.00 22.12 H new ATOM 120 N HIS A 8 -2.096 -34.696 -2.318 1.00 52.21 N ATOM 121 CA HIS A 8 -2.665 -33.490 -2.920 1.00 10.20 C ATOM 122 C HIS A 8 -2.648 -32.337 -1.929 1.00 44.12 C ATOM 123 O HIS A 8 -3.186 -32.448 -0.825 1.00 2.14 O ATOM 124 CB HIS A 8 -4.105 -33.734 -3.403 1.00 2.10 C ATOM 125 CG HIS A 8 -4.198 -34.472 -4.707 1.00 65.54 C ATOM 126 ND1 HIS A 8 -4.090 -33.846 -5.932 1.00 13.43 N ATOM 127 CD2 HIS A 8 -4.404 -35.782 -4.975 1.00 64.25 C ATOM 128 CE1 HIS A 8 -4.228 -34.739 -6.892 1.00 71.44 C ATOM 129 NE2 HIS A 8 -4.420 -35.922 -6.341 1.00 64.15 N ATOM 0 H HIS A 8 -2.582 -35.017 -1.481 1.00 52.21 H new ATOM 0 HA HIS A 8 -2.049 -33.232 -3.781 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -4.642 -34.297 -2.640 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -4.610 -32.774 -3.505 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -4.532 -36.571 -4.249 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -4.190 -34.536 -7.952 1.00 71.44 H new ATOM 0 HE2 HIS A 8 -4.558 -36.797 -6.847 1.00 64.15 H new ATOM 138 N MET A 9 -2.013 -31.236 -2.321 1.00 12.25 N ATOM 139 CA MET A 9 -2.012 -30.017 -1.521 1.00 2.23 C ATOM 140 C MET A 9 -3.316 -29.261 -1.749 1.00 52.43 C ATOM 141 O MET A 9 -3.909 -28.723 -0.814 1.00 54.21 O ATOM 142 CB MET A 9 -0.811 -29.132 -1.891 1.00 51.52 C ATOM 143 CG MET A 9 -0.737 -27.832 -1.099 1.00 71.54 C ATOM 144 SD MET A 9 0.682 -26.814 -1.554 1.00 31.53 S ATOM 145 CE MET A 9 2.040 -27.907 -1.140 1.00 44.51 C ATOM 0 H MET A 9 -1.490 -31.164 -3.194 1.00 12.25 H new ATOM 0 HA MET A 9 -1.928 -30.282 -0.467 1.00 2.23 H new ATOM 0 HB2 MET A 9 0.107 -29.697 -1.731 1.00 51.52 H new ATOM 0 HB3 MET A 9 -0.859 -28.896 -2.954 1.00 51.52 H new ATOM 0 HG2 MET A 9 -1.653 -27.262 -1.258 1.00 71.54 H new ATOM 0 HG3 MET A 9 -0.686 -28.063 -0.035 1.00 71.54 H new ATOM 0 HE1 MET A 9 2.859 -27.326 -0.716 1.00 44.51 H new ATOM 0 HE2 MET A 9 1.704 -28.645 -0.412 1.00 44.51 H new ATOM 0 HE3 MET A 9 2.385 -28.416 -2.040 1.00 44.51 H new ATOM 155 N GLY A 10 -3.760 -29.249 -3.003 1.00 33.52 N ATOM 156 CA GLY A 10 -4.996 -28.579 -3.358 1.00 73.32 C ATOM 157 C GLY A 10 -4.804 -27.090 -3.574 1.00 21.22 C ATOM 158 O GLY A 10 -3.742 -26.539 -3.265 1.00 31.32 O ATOM 0 H GLY A 10 -3.280 -29.696 -3.784 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -5.401 -29.026 -4.266 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -5.732 -28.737 -2.569 1.00 73.32 H new ATOM 162 N THR A 11 -5.817 -26.445 -4.134 1.00 23.20 N ATOM 163 CA THR A 11 -5.803 -25.002 -4.333 1.00 64.11 C ATOM 164 C THR A 11 -6.204 -24.304 -3.035 1.00 2.14 C ATOM 165 O THR A 11 -5.489 -23.441 -2.519 1.00 24.42 O ATOM 166 CB THR A 11 -6.768 -24.601 -5.473 1.00 61.21 C ATOM 167 OG1 THR A 11 -8.052 -25.210 -5.257 1.00 21.55 O ATOM 168 CG2 THR A 11 -6.223 -25.031 -6.832 1.00 2.40 C ATOM 0 H THR A 11 -6.667 -26.903 -4.462 1.00 23.20 H new ATOM 0 HA THR A 11 -4.796 -24.694 -4.613 1.00 64.11 H new ATOM 0 HB THR A 11 -6.867 -23.515 -5.469 1.00 61.21 H new ATOM 0 HG1 THR A 11 -8.662 -24.953 -5.980 1.00 21.55 H new ATOM 0 HG21 THR A 11 -6.922 -24.736 -7.614 1.00 2.40 H new ATOM 0 HG22 THR A 11 -5.260 -24.551 -7.006 1.00 2.40 H new ATOM 0 HG23 THR A 11 -6.097 -26.114 -6.847 1.00 2.40 H new ATOM 176 N LEU A 12 -7.355 -24.705 -2.520 1.00 10.11 N ATOM 177 CA LEU A 12 -7.835 -24.254 -1.220 1.00 62.34 C ATOM 178 C LEU A 12 -7.570 -25.350 -0.189 1.00 50.51 C ATOM 179 O LEU A 12 -7.291 -26.491 -0.563 1.00 4.12 O ATOM 180 CB LEU A 12 -9.339 -23.890 -1.279 1.00 73.43 C ATOM 181 CG LEU A 12 -10.358 -25.057 -1.333 1.00 43.20 C ATOM 182 CD1 LEU A 12 -11.786 -24.511 -1.301 1.00 34.05 C ATOM 183 CD2 LEU A 12 -10.163 -25.950 -2.562 1.00 2.42 C ATOM 0 H LEU A 12 -7.985 -25.354 -2.991 1.00 10.11 H new ATOM 0 HA LEU A 12 -7.300 -23.350 -0.928 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -9.572 -23.281 -0.406 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -9.499 -23.263 -2.156 1.00 73.43 H new ATOM 0 HG LEU A 12 -10.182 -25.677 -0.454 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.493 -25.339 -1.339 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -11.939 -23.946 -0.382 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -11.945 -23.858 -2.159 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -10.902 -26.751 -2.551 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -10.286 -25.355 -3.467 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -9.162 -26.380 -2.544 1.00 2.42 H new ATOM 195 N GLU A 13 -7.642 -25.001 1.095 1.00 11.24 N ATOM 196 CA GLU A 13 -7.346 -25.944 2.184 1.00 2.42 C ATOM 197 C GLU A 13 -5.882 -26.394 2.152 1.00 25.54 C ATOM 198 O GLU A 13 -5.534 -27.464 2.654 1.00 43.43 O ATOM 199 CB GLU A 13 -8.308 -27.154 2.138 1.00 52.23 C ATOM 200 CG GLU A 13 -9.645 -26.909 2.841 1.00 2.02 C ATOM 201 CD GLU A 13 -10.283 -25.578 2.489 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.872 -24.547 3.071 1.00 20.54 O ATOM 203 OE2 GLU A 13 -11.220 -25.563 1.668 1.00 31.04 O ATOM 0 H GLU A 13 -7.904 -24.068 1.412 1.00 11.24 H new ATOM 0 HA GLU A 13 -7.504 -25.424 3.129 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -8.498 -27.415 1.097 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -7.819 -28.013 2.598 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -10.335 -27.712 2.582 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -9.493 -26.955 3.919 1.00 2.02 H new ATOM 210 N ALA A 14 -5.024 -25.540 1.605 1.00 34.40 N ATOM 211 CA ALA A 14 -3.590 -25.814 1.519 1.00 21.23 C ATOM 212 C ALA A 14 -2.861 -25.281 2.756 1.00 55.24 C ATOM 213 O ALA A 14 -1.759 -24.739 2.659 1.00 61.00 O ATOM 214 CB ALA A 14 -3.025 -25.191 0.243 1.00 34.11 C ATOM 0 H ALA A 14 -5.299 -24.641 1.209 1.00 34.40 H new ATOM 0 HA ALA A 14 -3.436 -26.892 1.483 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -1.956 -25.396 0.180 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -3.528 -25.619 -0.624 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -3.187 -24.113 0.262 1.00 34.11 H new ATOM 220 N GLN A 15 -3.476 -25.460 3.926 1.00 62.31 N ATOM 221 CA GLN A 15 -2.937 -24.930 5.178 1.00 61.21 C ATOM 222 C GLN A 15 -2.911 -26.007 6.259 1.00 41.33 C ATOM 223 O GLN A 15 -3.937 -26.619 6.564 1.00 55.20 O ATOM 224 CB GLN A 15 -3.778 -23.741 5.660 1.00 32.53 C ATOM 225 CG GLN A 15 -3.827 -22.570 4.683 1.00 2.10 C ATOM 226 CD GLN A 15 -4.612 -21.391 5.234 1.00 32.43 C ATOM 227 OE1 GLN A 15 -5.550 -21.567 6.007 1.00 73.03 O ATOM 228 NE2 GLN A 15 -4.229 -20.187 4.847 1.00 54.22 N ATOM 0 H GLN A 15 -4.352 -25.971 4.032 1.00 62.31 H new ATOM 0 HA GLN A 15 -1.916 -24.598 4.989 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -4.795 -24.084 5.850 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -3.378 -23.389 6.611 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -2.811 -22.251 4.451 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -4.279 -22.899 3.747 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -3.445 -20.084 4.203 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -4.718 -19.361 5.192 1.00 54.22 H new ATOM 237 N THR A 16 -1.733 -26.236 6.834 1.00 54.24 N ATOM 238 CA THR A 16 -1.579 -27.184 7.927 1.00 21.43 C ATOM 239 C THR A 16 -2.097 -26.578 9.238 1.00 75.24 C ATOM 240 O THR A 16 -1.319 -26.084 10.060 1.00 55.04 O ATOM 241 CB THR A 16 -0.097 -27.605 8.099 1.00 2.14 C ATOM 242 OG1 THR A 16 0.447 -28.012 6.835 1.00 30.03 O ATOM 243 CG2 THR A 16 0.042 -28.749 9.103 1.00 42.53 C ATOM 0 H THR A 16 -0.868 -25.773 6.557 1.00 54.24 H new ATOM 0 HA THR A 16 -2.165 -28.070 7.682 1.00 21.43 H new ATOM 0 HB THR A 16 0.453 -26.744 8.478 1.00 2.14 H new ATOM 0 HG1 THR A 16 1.384 -28.275 6.951 1.00 30.03 H new ATOM 0 HG21 THR A 16 1.093 -29.021 9.201 1.00 42.53 H new ATOM 0 HG22 THR A 16 -0.343 -28.431 10.072 1.00 42.53 H new ATOM 0 HG23 THR A 16 -0.525 -29.612 8.753 1.00 42.53 H new ATOM 251 N GLN A 17 -3.416 -26.575 9.405 1.00 13.34 N ATOM 252 CA GLN A 17 -4.035 -26.064 10.625 1.00 34.33 C ATOM 253 C GLN A 17 -4.252 -27.200 11.621 1.00 53.31 C ATOM 254 O GLN A 17 -4.927 -28.183 11.313 1.00 40.31 O ATOM 255 CB GLN A 17 -5.373 -25.373 10.318 1.00 1.43 C ATOM 256 CG GLN A 17 -5.245 -24.147 9.417 1.00 44.23 C ATOM 257 CD GLN A 17 -6.545 -23.361 9.291 1.00 62.21 C ATOM 258 OE1 GLN A 17 -7.641 -23.918 9.369 1.00 74.11 O ATOM 259 NE2 GLN A 17 -6.427 -22.056 9.091 1.00 32.34 N ATOM 0 H GLN A 17 -4.078 -26.921 8.710 1.00 13.34 H new ATOM 0 HA GLN A 17 -3.362 -25.327 11.062 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -6.041 -26.092 9.844 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -5.840 -25.075 11.257 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -4.468 -23.492 9.812 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -4.921 -24.464 8.426 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -5.502 -21.631 9.032 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -7.261 -21.477 8.996 1.00 32.34 H new ATOM 268 N GLY A 18 -3.661 -27.067 12.806 1.00 74.42 N ATOM 269 CA GLY A 18 -3.824 -28.071 13.844 1.00 12.00 C ATOM 270 C GLY A 18 -5.122 -27.887 14.609 1.00 35.14 C ATOM 271 O GLY A 18 -5.560 -26.756 14.813 1.00 43.04 O ATOM 0 H GLY A 18 -3.069 -26.278 13.066 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -3.805 -29.064 13.395 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -2.984 -28.018 14.536 1.00 12.00 H new ATOM 275 N PRO A 19 -5.762 -28.982 15.057 1.00 2.43 N ATOM 276 CA PRO A 19 -7.052 -28.924 15.759 1.00 73.41 C ATOM 277 C PRO A 19 -6.906 -28.675 17.266 1.00 73.01 C ATOM 278 O PRO A 19 -7.804 -28.994 18.047 1.00 12.24 O ATOM 279 CB PRO A 19 -7.623 -30.317 15.485 1.00 61.45 C ATOM 280 CG PRO A 19 -6.424 -31.209 15.446 1.00 2.54 C ATOM 281 CD PRO A 19 -5.284 -30.373 14.907 1.00 51.13 C ATOM 0 HA PRO A 19 -7.679 -28.100 15.419 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -8.320 -30.622 16.266 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -8.169 -30.344 14.542 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -6.190 -31.588 16.441 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -6.605 -32.075 14.809 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -4.365 -30.542 15.467 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -5.071 -30.612 13.865 1.00 51.13 H new ATOM 289 N GLY A 20 -5.787 -28.068 17.663 1.00 44.34 N ATOM 290 CA GLY A 20 -5.511 -27.830 19.073 1.00 15.12 C ATOM 291 C GLY A 20 -6.453 -26.815 19.709 1.00 30.50 C ATOM 292 O GLY A 20 -6.472 -26.657 20.930 1.00 30.22 O ATOM 0 H GLY A 20 -5.062 -27.735 17.028 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -5.585 -28.773 19.615 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -4.484 -27.480 19.181 1.00 15.12 H new ATOM 296 N SER A 21 -7.226 -26.116 18.884 1.00 5.35 N ATOM 297 CA SER A 21 -8.197 -25.136 19.365 1.00 13.22 C ATOM 298 C SER A 21 -9.556 -25.365 18.704 1.00 35.21 C ATOM 299 O SER A 21 -10.320 -24.426 18.474 1.00 61.22 O ATOM 300 CB SER A 21 -7.683 -23.717 19.072 1.00 65.31 C ATOM 301 OG SER A 21 -6.410 -23.505 19.667 1.00 31.31 O ATOM 0 H SER A 21 -7.199 -26.211 17.869 1.00 5.35 H new ATOM 0 HA SER A 21 -8.321 -25.252 20.442 1.00 13.22 H new ATOM 0 HB2 SER A 21 -7.615 -23.566 17.995 1.00 65.31 H new ATOM 0 HB3 SER A 21 -8.393 -22.983 19.452 1.00 65.31 H new ATOM 0 HG SER A 21 -6.102 -22.597 19.466 1.00 31.31 H new ATOM 307 N MET A 22 -9.857 -26.628 18.415 1.00 40.34 N ATOM 308 CA MET A 22 -11.125 -26.990 17.785 1.00 11.43 C ATOM 309 C MET A 22 -12.231 -27.009 18.831 1.00 25.31 C ATOM 310 O MET A 22 -12.528 -28.043 19.436 1.00 73.35 O ATOM 311 CB MET A 22 -11.015 -28.353 17.121 1.00 14.10 C ATOM 312 CG MET A 22 -12.203 -28.731 16.242 1.00 73.13 C ATOM 313 SD MET A 22 -12.320 -27.708 14.759 1.00 12.04 S ATOM 314 CE MET A 22 -13.730 -28.453 13.942 1.00 34.42 C ATOM 0 H MET A 22 -9.241 -27.418 18.607 1.00 40.34 H new ATOM 0 HA MET A 22 -11.364 -26.249 17.022 1.00 11.43 H new ATOM 0 HB2 MET A 22 -10.110 -28.374 16.514 1.00 14.10 H new ATOM 0 HB3 MET A 22 -10.898 -29.111 17.895 1.00 14.10 H new ATOM 0 HG2 MET A 22 -12.117 -29.778 15.951 1.00 73.13 H new ATOM 0 HG3 MET A 22 -13.123 -28.635 16.819 1.00 73.13 H new ATOM 0 HE1 MET A 22 -14.304 -27.681 13.430 1.00 34.42 H new ATOM 0 HE2 MET A 22 -13.383 -29.189 13.216 1.00 34.42 H new ATOM 0 HE3 MET A 22 -14.362 -28.944 14.682 1.00 34.42 H new ATOM 324 N ASP A 23 -12.802 -25.848 19.055 1.00 74.42 N ATOM 325 CA ASP A 23 -13.823 -25.660 20.088 1.00 12.13 C ATOM 326 C ASP A 23 -15.236 -25.619 19.490 1.00 74.30 C ATOM 327 O ASP A 23 -15.447 -26.004 18.339 1.00 71.42 O ATOM 328 CB ASP A 23 -13.537 -24.391 20.918 1.00 21.15 C ATOM 329 CG ASP A 23 -13.581 -23.099 20.109 1.00 3.10 C ATOM 330 OD1 ASP A 23 -14.692 -22.639 19.771 1.00 40.20 O ATOM 331 OD2 ASP A 23 -12.508 -22.514 19.849 1.00 33.13 O ATOM 0 H ASP A 23 -12.580 -25.001 18.532 1.00 74.42 H new ATOM 0 HA ASP A 23 -13.777 -26.522 20.754 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -14.265 -24.326 21.727 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -12.554 -24.485 21.380 1.00 21.15 H new ATOM 336 N ASP A 24 -16.191 -25.153 20.295 1.00 42.31 N ATOM 337 CA ASP A 24 -17.614 -25.218 19.987 1.00 42.05 C ATOM 338 C ASP A 24 -18.011 -24.387 18.766 1.00 40.34 C ATOM 339 O ASP A 24 -18.873 -24.798 17.986 1.00 21.12 O ATOM 340 CB ASP A 24 -18.399 -24.710 21.198 1.00 70.42 C ATOM 341 CG ASP A 24 -18.168 -25.537 22.450 1.00 43.13 C ATOM 342 OD1 ASP A 24 -17.091 -25.399 23.071 1.00 1.13 O ATOM 343 OD2 ASP A 24 -19.063 -26.318 22.833 1.00 14.53 O ATOM 0 H ASP A 24 -15.991 -24.713 21.193 1.00 42.31 H new ATOM 0 HA ASP A 24 -17.844 -26.258 19.756 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -18.119 -23.676 21.397 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -19.463 -24.712 20.960 1.00 70.42 H new ATOM 348 N GLU A 25 -17.409 -23.216 18.613 1.00 43.24 N ATOM 349 CA GLU A 25 -17.880 -22.241 17.632 1.00 32.13 C ATOM 350 C GLU A 25 -17.199 -22.431 16.281 1.00 71.11 C ATOM 351 O GLU A 25 -16.111 -21.902 16.041 1.00 11.21 O ATOM 352 CB GLU A 25 -17.652 -20.815 18.155 1.00 24.04 C ATOM 353 CG GLU A 25 -18.278 -20.571 19.525 1.00 41.52 C ATOM 354 CD GLU A 25 -18.113 -19.139 20.006 1.00 11.45 C ATOM 355 OE1 GLU A 25 -16.970 -18.729 20.291 1.00 25.03 O ATOM 356 OE2 GLU A 25 -19.128 -18.413 20.101 1.00 40.34 O ATOM 0 H GLU A 25 -16.597 -22.916 19.152 1.00 43.24 H new ATOM 0 HA GLU A 25 -18.948 -22.400 17.485 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -16.581 -20.623 18.213 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -18.066 -20.103 17.441 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -19.340 -20.814 19.482 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -17.826 -21.247 20.251 1.00 41.52 H new ATOM 363 N LEU A 26 -17.844 -23.197 15.404 1.00 21.21 N ATOM 364 CA LEU A 26 -17.327 -23.424 14.059 1.00 15.43 C ATOM 365 C LEU A 26 -17.846 -22.370 13.085 1.00 11.11 C ATOM 366 O LEU A 26 -18.998 -21.925 13.167 1.00 33.23 O ATOM 367 CB LEU A 26 -17.683 -24.829 13.544 1.00 3.44 C ATOM 368 CG LEU A 26 -16.886 -25.992 14.166 1.00 42.43 C ATOM 369 CD1 LEU A 26 -17.252 -26.197 15.634 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.097 -27.274 13.365 1.00 21.13 C ATOM 0 H LEU A 26 -18.726 -23.670 15.602 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.241 -23.345 14.119 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.744 -25.003 13.723 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.535 -24.848 12.464 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.828 -25.733 14.127 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -16.672 -27.025 16.042 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -17.031 -25.289 16.194 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -18.315 -26.424 15.716 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.527 -28.085 13.819 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.156 -27.532 13.364 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -16.759 -27.122 12.340 1.00 21.13 H new ATOM 382 N TYR A 27 -16.975 -21.987 12.168 1.00 5.01 N ATOM 383 CA TYR A 27 -17.263 -21.006 11.137 1.00 1.23 C ATOM 384 C TYR A 27 -16.784 -21.536 9.791 1.00 21.45 C ATOM 385 O TYR A 27 -15.914 -22.418 9.734 1.00 35.30 O ATOM 386 CB TYR A 27 -16.548 -19.672 11.435 1.00 52.12 C ATOM 387 CG TYR A 27 -17.209 -18.799 12.488 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.334 -19.223 13.804 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.690 -17.537 12.158 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.920 -18.418 14.762 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.279 -16.727 13.107 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.393 -17.170 14.407 1.00 13.21 C ATOM 393 OH TYR A 27 -18.974 -16.363 15.359 1.00 30.44 O ATOM 0 H TYR A 27 -16.026 -22.358 12.119 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.339 -20.831 11.115 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.529 -19.889 11.755 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.477 -19.103 10.508 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.967 -20.199 14.084 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.601 -17.185 11.141 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.008 -18.763 15.782 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.649 -15.750 12.832 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.252 -15.519 14.946 1.00 30.44 H new ATOM 403 N PHE A 28 -17.366 -21.004 8.725 1.00 71.32 N ATOM 404 CA PHE A 28 -16.900 -21.241 7.364 1.00 10.14 C ATOM 405 C PHE A 28 -16.373 -19.942 6.783 1.00 42.44 C ATOM 406 O PHE A 28 -16.593 -18.864 7.345 1.00 44.14 O ATOM 407 CB PHE A 28 -18.035 -21.764 6.463 1.00 40.34 C ATOM 408 CG PHE A 28 -18.038 -23.257 6.280 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.895 -23.917 5.861 1.00 65.42 C ATOM 410 CD2 PHE A 28 -19.181 -23.998 6.515 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.899 -25.284 5.683 1.00 62.14 C ATOM 412 CE2 PHE A 28 -19.184 -25.370 6.341 1.00 21.32 C ATOM 413 CZ PHE A 28 -18.043 -26.009 5.926 1.00 60.33 C ATOM 0 H PHE A 28 -18.180 -20.392 8.780 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.113 -21.994 7.402 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.991 -21.459 6.888 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -17.955 -21.289 5.485 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.992 -23.356 5.672 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -20.083 -23.499 6.838 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -16.002 -25.787 5.352 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -20.083 -25.937 6.531 1.00 21.32 H new ATOM 0 HZ PHE A 28 -18.043 -27.080 5.790 1.00 60.33 H new ATOM 423 N VAL A 29 -15.688 -20.048 5.657 1.00 31.31 N ATOM 424 CA VAL A 29 -15.296 -18.884 4.886 1.00 3.35 C ATOM 425 C VAL A 29 -16.382 -18.623 3.845 1.00 63.31 C ATOM 426 O VAL A 29 -16.874 -19.562 3.233 1.00 22.10 O ATOM 427 CB VAL A 29 -13.931 -19.119 4.193 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.560 -17.953 3.285 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.836 -19.382 5.227 1.00 71.30 C ATOM 0 H VAL A 29 -15.390 -20.937 5.255 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.186 -18.022 5.544 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.024 -20.005 3.565 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.597 -18.150 2.815 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.322 -17.834 2.515 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.495 -17.039 3.875 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.886 -19.544 4.718 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.749 -18.522 5.892 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.091 -20.267 5.810 1.00 71.30 H new ATOM 439 N VAL A 30 -16.796 -17.374 3.671 1.00 64.44 N ATOM 440 CA VAL A 30 -17.876 -17.050 2.743 1.00 74.31 C ATOM 441 C VAL A 30 -17.561 -15.800 1.944 1.00 41.10 C ATOM 442 O VAL A 30 -16.664 -15.024 2.306 1.00 44.12 O ATOM 443 CB VAL A 30 -19.222 -16.850 3.477 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.577 -18.092 4.285 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.188 -15.601 4.359 1.00 64.13 C ATOM 0 H VAL A 30 -16.402 -16.569 4.159 1.00 64.44 H new ATOM 0 HA VAL A 30 -17.965 -17.899 2.066 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.001 -16.699 2.730 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.527 -17.935 4.795 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.662 -18.949 3.617 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.796 -18.282 5.022 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.148 -15.485 4.863 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.397 -15.702 5.103 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -18.995 -14.724 3.741 1.00 64.13 H new ATOM 455 N ARG A 31 -18.280 -15.629 0.839 1.00 74.21 N ATOM 456 CA ARG A 31 -18.162 -14.424 0.014 1.00 61.34 C ATOM 457 C ARG A 31 -19.272 -14.373 -1.033 1.00 65.32 C ATOM 458 O ARG A 31 -19.974 -15.364 -1.245 1.00 35.24 O ATOM 459 CB ARG A 31 -16.802 -14.407 -0.696 1.00 41.42 C ATOM 460 CG ARG A 31 -16.613 -15.608 -1.608 1.00 24.13 C ATOM 461 CD ARG A 31 -15.297 -15.573 -2.368 1.00 34.43 C ATOM 462 NE ARG A 31 -15.155 -16.761 -3.203 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.154 -16.985 -4.044 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.184 -16.092 -4.194 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.132 -18.111 -4.737 1.00 53.34 N ATOM 0 H ARG A 31 -18.954 -16.311 0.490 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.250 -13.556 0.667 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.711 -13.492 -1.281 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.006 -14.390 0.048 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -16.659 -16.520 -1.013 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.437 -15.650 -2.320 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.253 -14.678 -2.989 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.466 -15.514 -1.665 1.00 34.43 H new ATOM 0 HE ARG A 31 -15.881 -17.474 -3.135 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.203 -15.223 -3.660 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.419 -16.274 -4.843 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.879 -18.796 -4.622 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.368 -18.295 -5.387 1.00 53.34 H new ATOM 479 N ASN A 32 -19.423 -13.217 -1.683 1.00 2.23 N ATOM 480 CA ASN A 32 -20.237 -13.114 -2.895 1.00 31.43 C ATOM 481 C ASN A 32 -19.916 -11.821 -3.642 1.00 1.13 C ATOM 482 O ASN A 32 -19.757 -10.772 -3.021 1.00 32.34 O ATOM 483 CB ASN A 32 -21.737 -13.135 -2.550 1.00 44.45 C ATOM 484 CG ASN A 32 -22.200 -11.858 -1.860 1.00 22.14 C ATOM 485 OD1 ASN A 32 -22.144 -11.742 -0.637 1.00 21.30 O ATOM 486 ND2 ASN A 32 -22.666 -10.893 -2.642 1.00 21.21 N ATOM 0 H ASN A 32 -18.992 -12.340 -1.390 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.003 -13.970 -3.527 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.314 -13.279 -3.464 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -21.945 -13.988 -1.904 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.993 -10.018 -2.232 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -22.697 -11.026 -3.653 1.00 21.21 H new ATOM 493 N ASN A 33 -19.860 -11.909 -4.977 1.00 42.50 N ATOM 494 CA ASN A 33 -19.707 -10.747 -5.878 1.00 1.24 C ATOM 495 C ASN A 33 -18.603 -9.752 -5.444 1.00 14.24 C ATOM 496 O ASN A 33 -18.388 -8.734 -6.102 1.00 32.20 O ATOM 497 CB ASN A 33 -21.068 -10.028 -6.000 1.00 73.12 C ATOM 498 CG ASN A 33 -21.037 -8.804 -6.907 1.00 2.33 C ATOM 499 OD1 ASN A 33 -21.194 -8.914 -8.124 1.00 42.53 O ATOM 500 ND2 ASN A 33 -20.850 -7.631 -6.323 1.00 65.15 N ATOM 0 H ASN A 33 -19.920 -12.798 -5.473 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.383 -11.131 -6.845 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.808 -10.732 -6.381 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.399 -9.724 -5.007 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -20.832 -6.779 -6.884 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -20.724 -7.579 -5.312 1.00 65.15 H new ATOM 507 N GLU A 34 -17.858 -10.065 -4.388 1.00 12.12 N ATOM 508 CA GLU A 34 -16.994 -9.074 -3.747 1.00 15.25 C ATOM 509 C GLU A 34 -15.517 -9.300 -4.065 1.00 55.43 C ATOM 510 O GLU A 34 -14.720 -8.358 -4.020 1.00 11.43 O ATOM 511 CB GLU A 34 -17.240 -9.087 -2.231 1.00 31.40 C ATOM 512 CG GLU A 34 -16.854 -10.391 -1.541 1.00 45.21 C ATOM 513 CD GLU A 34 -17.369 -10.458 -0.111 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.817 -9.760 0.762 1.00 52.32 O ATOM 515 OE2 GLU A 34 -18.340 -11.197 0.137 1.00 70.25 O ATOM 0 H GLU A 34 -17.833 -10.990 -3.959 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.248 -8.093 -4.148 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.679 -8.270 -1.777 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.296 -8.890 -2.045 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.252 -11.232 -2.109 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.769 -10.492 -1.540 1.00 45.21 H new ATOM 522 N GLY A 35 -15.154 -10.538 -4.380 1.00 13.30 N ATOM 523 CA GLY A 35 -13.781 -10.858 -4.748 1.00 3.53 C ATOM 524 C GLY A 35 -12.886 -11.121 -3.548 1.00 21.20 C ATOM 525 O GLY A 35 -11.855 -11.786 -3.671 1.00 11.05 O ATOM 0 H GLY A 35 -15.791 -11.335 -4.388 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -13.780 -11.736 -5.394 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.366 -10.035 -5.329 1.00 3.53 H new ATOM 529 N GLN A 36 -13.276 -10.606 -2.385 1.00 72.42 N ATOM 530 CA GLN A 36 -12.527 -10.831 -1.152 1.00 74.31 C ATOM 531 C GLN A 36 -13.195 -11.929 -0.332 1.00 21.04 C ATOM 532 O GLN A 36 -14.264 -12.422 -0.692 1.00 51.11 O ATOM 533 CB GLN A 36 -12.412 -9.548 -0.315 1.00 41.20 C ATOM 534 CG GLN A 36 -13.746 -9.001 0.181 1.00 14.33 C ATOM 535 CD GLN A 36 -13.578 -7.972 1.288 1.00 24.11 C ATOM 536 OE1 GLN A 36 -13.445 -6.775 1.031 1.00 61.54 O ATOM 537 NE2 GLN A 36 -13.577 -8.431 2.535 1.00 51.11 N ATOM 0 H GLN A 36 -14.109 -10.028 -2.271 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.519 -11.141 -1.426 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -11.771 -9.745 0.544 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -11.918 -8.782 -0.912 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -14.282 -8.548 -0.653 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -14.360 -9.825 0.545 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -13.690 -9.429 2.711 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -13.464 -7.785 3.316 1.00 51.11 H new ATOM 546 N TYR A 37 -12.550 -12.322 0.756 1.00 44.03 N ATOM 547 CA TYR A 37 -13.064 -13.377 1.619 1.00 31.33 C ATOM 548 C TYR A 37 -13.616 -12.820 2.925 1.00 72.14 C ATOM 549 O TYR A 37 -13.205 -11.752 3.382 1.00 73.10 O ATOM 550 CB TYR A 37 -11.963 -14.398 1.921 1.00 65.43 C ATOM 551 CG TYR A 37 -11.764 -15.402 0.809 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.773 -16.303 0.509 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.589 -15.452 0.067 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.622 -17.231 -0.502 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.430 -16.379 -0.948 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.449 -17.267 -1.228 1.00 11.32 C ATOM 557 OH TYR A 37 -11.297 -18.194 -2.237 1.00 0.35 O ATOM 0 H TYR A 37 -11.663 -11.923 1.064 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.881 -13.864 1.087 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.026 -13.871 2.098 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.210 -14.928 2.841 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.692 -16.279 1.075 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.790 -14.759 0.286 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.419 -17.926 -0.724 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.513 -16.408 -1.518 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.415 -18.086 -2.650 1.00 0.35 H new ATOM 567 N SER A 38 -14.554 -13.557 3.507 1.00 71.15 N ATOM 568 CA SER A 38 -15.068 -13.263 4.835 1.00 73.51 C ATOM 569 C SER A 38 -15.392 -14.573 5.550 1.00 12.10 C ATOM 570 O SER A 38 -15.137 -15.648 5.006 1.00 11.10 O ATOM 571 CB SER A 38 -16.299 -12.345 4.756 1.00 52.44 C ATOM 572 OG SER A 38 -17.284 -12.866 3.882 1.00 71.45 O ATOM 0 H SER A 38 -14.979 -14.375 3.070 1.00 71.15 H new ATOM 0 HA SER A 38 -14.309 -12.730 5.407 1.00 73.51 H new ATOM 0 HB2 SER A 38 -16.725 -12.220 5.752 1.00 52.44 H new ATOM 0 HB3 SER A 38 -15.994 -11.356 4.413 1.00 52.44 H new ATOM 0 HG SER A 38 -16.930 -13.657 3.424 1.00 71.45 H new ATOM 578 N VAL A 39 -15.902 -14.496 6.778 1.00 63.03 N ATOM 579 CA VAL A 39 -16.266 -15.695 7.536 1.00 5.30 C ATOM 580 C VAL A 39 -17.712 -15.621 8.018 1.00 14.12 C ATOM 581 O VAL A 39 -18.286 -14.538 8.133 1.00 3.12 O ATOM 582 CB VAL A 39 -15.318 -15.931 8.739 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.933 -16.357 8.247 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.224 -14.681 9.612 1.00 24.42 C ATOM 0 H VAL A 39 -16.073 -13.619 7.270 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.163 -16.541 6.856 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.730 -16.734 9.350 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.277 -16.519 9.102 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.018 -17.281 7.675 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.516 -15.575 7.613 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.553 -14.872 10.450 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.838 -13.852 9.019 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.214 -14.427 9.991 1.00 24.42 H new ATOM 594 N TRP A 40 -18.285 -16.784 8.305 1.00 31.10 N ATOM 595 CA TRP A 40 -19.706 -16.907 8.623 1.00 74.31 C ATOM 596 C TRP A 40 -19.922 -18.083 9.571 1.00 25.31 C ATOM 597 O TRP A 40 -19.252 -19.104 9.456 1.00 1.51 O ATOM 598 CB TRP A 40 -20.470 -17.102 7.313 1.00 25.04 C ATOM 599 CG TRP A 40 -21.936 -17.395 7.436 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.929 -16.530 7.795 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.574 -18.638 7.139 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.145 -17.168 7.755 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.951 -18.461 7.349 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.109 -19.890 6.718 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.870 -19.481 7.143 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.023 -20.906 6.516 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.392 -20.696 6.729 1.00 71.21 C ATOM 0 H TRP A 40 -17.779 -17.669 8.324 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.071 -16.010 9.122 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.350 -16.202 6.710 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.003 -17.919 6.763 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.781 -15.496 8.070 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.044 -16.748 7.989 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.055 -20.058 6.554 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.926 -19.322 7.304 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.678 -21.876 6.189 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.084 -21.508 6.563 1.00 71.21 H new ATOM 618 N MET A 41 -20.848 -17.926 10.508 1.00 15.53 N ATOM 619 CA MET A 41 -21.057 -18.919 11.562 1.00 1.22 C ATOM 620 C MET A 41 -21.898 -20.096 11.068 1.00 72.33 C ATOM 621 O MET A 41 -22.953 -19.907 10.453 1.00 71.32 O ATOM 622 CB MET A 41 -21.726 -18.262 12.777 1.00 42.31 C ATOM 623 CG MET A 41 -21.884 -19.189 13.976 1.00 31.15 C ATOM 624 SD MET A 41 -22.626 -18.360 15.396 1.00 32.11 S ATOM 625 CE MET A 41 -22.510 -19.644 16.640 1.00 73.30 C ATOM 0 H MET A 41 -21.470 -17.119 10.562 1.00 15.53 H new ATOM 0 HA MET A 41 -20.082 -19.309 11.853 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.138 -17.394 13.077 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.709 -17.895 12.483 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.502 -20.041 13.693 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.907 -19.582 14.258 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.930 -19.281 17.578 1.00 73.30 H new ATOM 0 HE2 MET A 41 -23.065 -20.522 16.310 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.464 -19.912 16.790 1.00 73.30 H new ATOM 635 N ASP A 42 -21.420 -21.308 11.346 1.00 51.30 N ATOM 636 CA ASP A 42 -22.134 -22.534 10.989 1.00 11.42 C ATOM 637 C ASP A 42 -23.456 -22.628 11.748 1.00 34.45 C ATOM 638 O ASP A 42 -23.586 -22.090 12.851 1.00 34.15 O ATOM 639 CB ASP A 42 -21.264 -23.764 11.301 1.00 70.44 C ATOM 640 CG ASP A 42 -22.037 -25.077 11.213 1.00 62.11 C ATOM 641 OD1 ASP A 42 -22.356 -25.512 10.088 1.00 14.52 O ATOM 642 OD2 ASP A 42 -22.324 -25.680 12.274 1.00 62.33 O ATOM 0 H ASP A 42 -20.532 -21.468 11.822 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.347 -22.508 9.920 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.425 -23.795 10.606 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.845 -23.662 12.302 1.00 70.44 H new ATOM 647 N GLY A 43 -24.435 -23.305 11.151 1.00 43.50 N ATOM 648 CA GLY A 43 -25.717 -23.509 11.806 1.00 3.14 C ATOM 649 C GLY A 43 -26.822 -22.654 11.218 1.00 31.24 C ATOM 650 O GLY A 43 -28.000 -22.867 11.514 1.00 3.04 O ATOM 0 H GLY A 43 -24.362 -23.718 10.221 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.996 -24.560 11.727 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.617 -23.284 12.868 1.00 3.14 H new ATOM 654 N ARG A 44 -26.451 -21.673 10.400 1.00 4.12 N ATOM 655 CA ARG A 44 -27.427 -20.811 9.736 1.00 32.44 C ATOM 656 C ARG A 44 -27.537 -21.208 8.261 1.00 64.22 C ATOM 657 O ARG A 44 -27.053 -22.270 7.863 1.00 52.23 O ATOM 658 CB ARG A 44 -26.993 -19.341 9.866 1.00 0.23 C ATOM 659 CG ARG A 44 -26.638 -18.914 11.290 1.00 25.34 C ATOM 660 CD ARG A 44 -26.095 -17.489 11.331 1.00 30.41 C ATOM 661 NE ARG A 44 -25.498 -17.161 12.628 1.00 65.32 N ATOM 662 CZ ARG A 44 -24.577 -16.212 12.807 1.00 41.11 C ATOM 663 NH1 ARG A 44 -24.208 -15.435 11.796 1.00 33.33 N ATOM 664 NH2 ARG A 44 -24.038 -16.034 14.006 1.00 23.54 N ATOM 0 H ARG A 44 -25.479 -21.454 10.180 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.403 -20.930 10.207 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -26.130 -19.171 9.222 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -27.796 -18.703 9.497 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.523 -18.985 11.923 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -25.896 -19.598 11.701 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.348 -17.364 10.547 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -26.902 -16.788 11.117 1.00 30.41 H new ATOM 0 HE ARG A 44 -25.805 -17.690 13.444 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.629 -15.561 10.876 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -23.504 -14.711 11.940 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -24.328 -16.622 14.788 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -23.334 -15.310 14.146 1.00 23.54 H new ATOM 678 N SER A 45 -28.178 -20.368 7.456 1.00 20.53 N ATOM 679 CA SER A 45 -28.242 -20.577 6.010 1.00 5.15 C ATOM 680 C SER A 45 -28.040 -19.255 5.280 1.00 72.32 C ATOM 681 O SER A 45 -28.665 -18.244 5.611 1.00 4.10 O ATOM 682 CB SER A 45 -29.575 -21.222 5.618 1.00 43.33 C ATOM 683 OG SER A 45 -29.696 -22.518 6.188 1.00 24.12 O ATOM 0 H SER A 45 -28.663 -19.532 7.780 1.00 20.53 H new ATOM 0 HA SER A 45 -27.442 -21.257 5.717 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.400 -20.594 5.953 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.646 -21.289 4.532 1.00 43.33 H new ATOM 0 HG SER A 45 -30.555 -22.911 5.927 1.00 24.12 H new ATOM 689 N LEU A 46 -27.150 -19.277 4.297 1.00 30.11 N ATOM 690 CA LEU A 46 -26.763 -18.077 3.574 1.00 41.30 C ATOM 691 C LEU A 46 -27.776 -17.704 2.495 1.00 52.25 C ATOM 692 O LEU A 46 -28.264 -18.566 1.754 1.00 65.25 O ATOM 693 CB LEU A 46 -25.385 -18.265 2.933 1.00 31.30 C ATOM 694 CG LEU A 46 -24.186 -17.973 3.843 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.888 -18.316 3.132 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.176 -16.508 4.284 1.00 11.43 C ATOM 0 H LEU A 46 -26.679 -20.124 3.981 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.728 -17.264 4.299 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.307 -19.292 2.577 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.320 -17.619 2.058 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.277 -18.596 4.733 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.045 -18.104 3.790 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -22.886 -19.374 2.869 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.800 -17.717 2.226 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.316 -16.328 4.928 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.113 -15.864 3.407 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.092 -16.287 4.832 1.00 11.43 H new ATOM 708 N PRO A 47 -28.118 -16.407 2.423 1.00 40.22 N ATOM 709 CA PRO A 47 -28.887 -15.834 1.313 1.00 35.22 C ATOM 710 C PRO A 47 -28.338 -16.247 -0.062 1.00 3.22 C ATOM 711 O PRO A 47 -27.114 -16.285 -0.280 1.00 43.43 O ATOM 712 CB PRO A 47 -28.726 -14.321 1.512 1.00 55.23 C ATOM 713 CG PRO A 47 -28.470 -14.138 2.973 1.00 33.22 C ATOM 714 CD PRO A 47 -27.811 -15.406 3.465 1.00 72.34 C ATOM 0 HA PRO A 47 -29.922 -16.177 1.322 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -27.900 -13.932 0.917 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.623 -13.786 1.200 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.827 -13.276 3.147 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.402 -13.954 3.508 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.736 -15.274 3.585 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.205 -15.708 4.435 1.00 72.34 H new ATOM 722 N ALA A 48 -29.250 -16.550 -0.988 1.00 24.10 N ATOM 723 CA ALA A 48 -28.873 -16.923 -2.347 1.00 45.31 C ATOM 724 C ALA A 48 -27.943 -15.868 -2.942 1.00 10.30 C ATOM 725 O ALA A 48 -28.233 -14.671 -2.892 1.00 50.42 O ATOM 726 CB ALA A 48 -30.110 -17.111 -3.222 1.00 71.43 C ATOM 0 H ALA A 48 -30.256 -16.543 -0.818 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.342 -17.874 -2.311 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -29.804 -17.389 -4.230 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -30.736 -17.899 -2.803 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -30.675 -16.180 -3.258 1.00 71.43 H new ATOM 732 N GLY A 49 -26.828 -16.325 -3.497 1.00 61.20 N ATOM 733 CA GLY A 49 -25.806 -15.427 -3.992 1.00 60.31 C ATOM 734 C GLY A 49 -24.519 -15.585 -3.211 1.00 71.01 C ATOM 735 O GLY A 49 -23.425 -15.490 -3.777 1.00 13.20 O ATOM 0 H GLY A 49 -26.613 -17.315 -3.613 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -25.622 -15.627 -5.048 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.156 -14.397 -3.919 1.00 60.31 H new ATOM 739 N TRP A 50 -24.649 -15.848 -1.907 1.00 52.24 N ATOM 740 CA TRP A 50 -23.483 -16.079 -1.054 1.00 31.12 C ATOM 741 C TRP A 50 -22.929 -17.480 -1.299 1.00 32.34 C ATOM 742 O TRP A 50 -23.679 -18.398 -1.650 1.00 34.24 O ATOM 743 CB TRP A 50 -23.848 -15.912 0.431 1.00 51.44 C ATOM 744 CG TRP A 50 -24.163 -14.499 0.829 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.279 -13.778 0.507 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.349 -13.636 1.635 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.207 -12.523 1.061 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.032 -12.411 1.755 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.107 -13.778 2.264 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.519 -11.339 2.479 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.599 -12.712 2.984 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.304 -11.506 3.085 1.00 53.43 C ATOM 0 H TRP A 50 -25.545 -15.906 -1.423 1.00 52.24 H new ATOM 0 HA TRP A 50 -22.722 -15.340 -1.306 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.709 -16.542 0.656 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.020 -16.274 1.041 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.098 -14.142 -0.095 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -25.914 -11.793 0.970 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.555 -14.703 2.189 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.061 -10.408 2.560 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.643 -12.811 3.476 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.880 -10.691 3.653 1.00 53.43 H new ATOM 763 N GLU A 51 -21.620 -17.641 -1.133 1.00 31.52 N ATOM 764 CA GLU A 51 -20.981 -18.944 -1.277 1.00 65.54 C ATOM 765 C GLU A 51 -20.074 -19.215 -0.085 1.00 44.41 C ATOM 766 O GLU A 51 -19.541 -18.277 0.533 1.00 23.22 O ATOM 767 CB GLU A 51 -20.171 -19.030 -2.579 1.00 21.21 C ATOM 768 CG GLU A 51 -18.915 -18.172 -2.576 1.00 31.04 C ATOM 769 CD GLU A 51 -18.143 -18.242 -3.886 1.00 61.44 C ATOM 770 OE1 GLU A 51 -18.643 -17.729 -4.908 1.00 2.31 O ATOM 771 OE2 GLU A 51 -17.027 -18.809 -3.900 1.00 74.23 O ATOM 0 H GLU A 51 -20.980 -16.883 -0.898 1.00 31.52 H new ATOM 0 HA GLU A 51 -21.766 -19.699 -1.316 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -19.890 -20.069 -2.754 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -20.805 -18.727 -3.412 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.190 -17.136 -2.378 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.266 -18.491 -1.761 1.00 31.04 H new ATOM 778 N THR A 52 -19.907 -20.498 0.208 1.00 32.54 N ATOM 779 CA THR A 52 -19.105 -20.973 1.329 1.00 63.35 C ATOM 780 C THR A 52 -17.823 -21.638 0.826 1.00 21.15 C ATOM 781 O THR A 52 -17.738 -22.031 -0.342 1.00 10.23 O ATOM 782 CB THR A 52 -19.906 -21.989 2.175 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.494 -22.975 1.314 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.002 -21.302 2.983 1.00 41.04 C ATOM 0 H THR A 52 -20.331 -21.250 -0.335 1.00 32.54 H new ATOM 0 HA THR A 52 -18.847 -20.113 1.947 1.00 63.35 H new ATOM 0 HB THR A 52 -19.217 -22.464 2.873 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.000 -23.619 1.852 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.545 -22.046 3.566 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.554 -20.571 3.656 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.691 -20.798 2.306 1.00 41.04 H new ATOM 792 N VAL A 53 -16.842 -21.769 1.717 1.00 23.41 N ATOM 793 CA VAL A 53 -15.529 -22.336 1.391 1.00 22.34 C ATOM 794 C VAL A 53 -14.770 -22.665 2.676 1.00 44.25 C ATOM 795 O VAL A 53 -15.110 -22.167 3.759 1.00 74.21 O ATOM 796 CB VAL A 53 -14.653 -21.387 0.508 1.00 51.30 C ATOM 797 CG1 VAL A 53 -14.778 -21.744 -0.974 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.020 -19.920 0.735 1.00 31.43 C ATOM 0 H VAL A 53 -16.933 -21.484 2.692 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.717 -23.240 0.811 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.615 -21.528 0.810 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.159 -21.069 -1.564 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.446 -22.770 -1.130 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -15.818 -21.648 -1.285 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.393 -19.287 0.107 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.068 -19.763 0.478 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -14.861 -19.663 1.782 1.00 31.43 H new ATOM 808 N GLY A 54 -13.742 -23.499 2.544 1.00 3.04 N ATOM 809 CA GLY A 54 -12.954 -23.909 3.684 1.00 22.23 C ATOM 810 C GLY A 54 -13.558 -25.095 4.404 1.00 33.01 C ATOM 811 O GLY A 54 -14.512 -25.713 3.915 1.00 72.20 O ATOM 0 H GLY A 54 -13.442 -23.900 1.655 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.946 -24.162 3.354 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.862 -23.074 4.378 1.00 22.23 H new ATOM 815 N GLU A 55 -12.967 -25.440 5.538 1.00 4.43 N ATOM 816 CA GLU A 55 -13.501 -26.443 6.434 1.00 31.03 C ATOM 817 C GLU A 55 -14.013 -25.738 7.689 1.00 24.14 C ATOM 818 O GLU A 55 -13.416 -24.748 8.117 1.00 23.13 O ATOM 819 CB GLU A 55 -12.401 -27.442 6.798 1.00 24.22 C ATOM 820 CG GLU A 55 -11.798 -28.171 5.601 1.00 31.31 C ATOM 821 CD GLU A 55 -10.602 -29.032 5.981 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.622 -28.480 6.523 1.00 72.41 O ATOM 823 OE2 GLU A 55 -10.632 -30.258 5.732 1.00 54.04 O ATOM 0 H GLU A 55 -12.094 -25.024 5.862 1.00 4.43 H new ATOM 0 HA GLU A 55 -14.317 -26.986 5.957 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -11.607 -26.914 7.326 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -12.809 -28.179 7.490 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -12.561 -28.799 5.141 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.492 -27.441 4.852 1.00 31.31 H new ATOM 830 N PRO A 56 -15.117 -26.212 8.295 1.00 15.13 N ATOM 831 CA PRO A 56 -15.696 -25.549 9.463 1.00 1.52 C ATOM 832 C PRO A 56 -14.745 -25.624 10.657 1.00 72.40 C ATOM 833 O PRO A 56 -14.438 -26.708 11.158 1.00 53.12 O ATOM 834 CB PRO A 56 -16.997 -26.322 9.714 1.00 31.21 C ATOM 835 CG PRO A 56 -16.761 -27.664 9.110 1.00 3.01 C ATOM 836 CD PRO A 56 -15.872 -27.427 7.920 1.00 64.45 C ATOM 0 HA PRO A 56 -15.876 -24.485 9.308 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.212 -26.400 10.780 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.849 -25.824 9.252 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -16.287 -28.337 9.825 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.700 -28.129 8.810 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -15.209 -28.273 7.739 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -16.451 -27.275 7.009 1.00 64.45 H new ATOM 844 N ALA A 57 -14.268 -24.468 11.096 1.00 33.55 N ATOM 845 CA ALA A 57 -13.241 -24.395 12.138 1.00 55.44 C ATOM 846 C ALA A 57 -13.539 -23.244 13.085 1.00 31.23 C ATOM 847 O ALA A 57 -14.393 -22.415 12.794 1.00 52.10 O ATOM 848 CB ALA A 57 -11.859 -24.223 11.508 1.00 52.45 C ATOM 0 H ALA A 57 -14.575 -23.560 10.747 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.249 -25.325 12.706 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.105 -24.170 12.293 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.647 -25.072 10.858 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.838 -23.304 10.922 1.00 52.45 H new ATOM 854 N THR A 58 -12.834 -23.180 14.208 1.00 61.34 N ATOM 855 CA THR A 58 -13.066 -22.113 15.171 1.00 41.54 C ATOM 856 C THR A 58 -12.819 -20.745 14.526 1.00 53.23 C ATOM 857 O THR A 58 -12.026 -20.627 13.586 1.00 72.34 O ATOM 858 CB THR A 58 -12.191 -22.267 16.436 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.504 -21.229 17.374 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.704 -22.220 16.106 1.00 4.31 C ATOM 0 H THR A 58 -12.107 -23.845 14.471 1.00 61.34 H new ATOM 0 HA THR A 58 -14.108 -22.184 15.481 1.00 41.54 H new ATOM 0 HB THR A 58 -12.410 -23.242 16.870 1.00 32.00 H new ATOM 0 HG1 THR A 58 -12.527 -21.603 18.280 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.124 -22.332 17.022 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.458 -23.030 15.420 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.465 -21.264 15.640 1.00 4.31 H new ATOM 868 N LYS A 59 -13.509 -19.727 15.034 1.00 20.01 N ATOM 869 CA LYS A 59 -13.431 -18.365 14.497 1.00 44.32 C ATOM 870 C LYS A 59 -11.981 -17.939 14.263 1.00 75.31 C ATOM 871 O LYS A 59 -11.659 -17.328 13.238 1.00 55.41 O ATOM 872 CB LYS A 59 -14.130 -17.398 15.467 1.00 22.43 C ATOM 873 CG LYS A 59 -14.120 -15.933 15.035 1.00 75.31 C ATOM 874 CD LYS A 59 -14.831 -15.717 13.701 1.00 22.03 C ATOM 875 CE LYS A 59 -15.078 -14.236 13.427 1.00 60.14 C ATOM 876 NZ LYS A 59 -13.820 -13.440 13.432 1.00 44.44 N ATOM 0 H LYS A 59 -14.139 -19.820 15.830 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.935 -18.340 13.531 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.165 -17.717 15.592 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.651 -17.477 16.443 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.601 -15.327 15.803 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -13.089 -15.587 14.955 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.231 -16.141 12.896 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.782 -16.250 13.705 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -15.571 -14.125 12.461 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.759 -13.839 14.180 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -14.029 -12.459 13.158 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -13.405 -13.453 14.386 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -13.146 -13.852 12.756 1.00 44.44 H new ATOM 890 N GLN A 60 -11.109 -18.295 15.201 1.00 12.52 N ATOM 891 CA GLN A 60 -9.693 -17.940 15.122 1.00 60.11 C ATOM 892 C GLN A 60 -9.038 -18.577 13.893 1.00 73.42 C ATOM 893 O GLN A 60 -8.288 -17.925 13.169 1.00 12.21 O ATOM 894 CB GLN A 60 -8.963 -18.366 16.403 1.00 71.20 C ATOM 895 CG GLN A 60 -9.575 -17.779 17.676 1.00 21.32 C ATOM 896 CD GLN A 60 -8.797 -18.114 18.940 1.00 4.32 C ATOM 897 OE1 GLN A 60 -8.137 -19.263 18.957 1.00 72.30 O flip ATOM 898 NE2 GLN A 60 -8.792 -17.343 19.901 1.00 42.31 N flip ATOM 0 H GLN A 60 -11.359 -18.833 16.031 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.618 -16.857 15.022 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -8.972 -19.454 16.473 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -7.919 -18.060 16.336 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -9.635 -16.695 17.573 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -10.596 -18.146 17.780 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -9.311 -16.466 19.854 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -8.269 -17.581 20.743 1.00 42.31 H new ATOM 907 N GLN A 61 -9.354 -19.846 13.649 1.00 11.51 N ATOM 908 CA GLN A 61 -8.782 -20.584 12.520 1.00 25.23 C ATOM 909 C GLN A 61 -9.378 -20.112 11.200 1.00 25.12 C ATOM 910 O GLN A 61 -8.697 -20.097 10.179 1.00 72.45 O ATOM 911 CB GLN A 61 -9.004 -22.090 12.691 1.00 32.13 C ATOM 912 CG GLN A 61 -8.097 -22.721 13.737 1.00 4.10 C ATOM 913 CD GLN A 61 -8.369 -24.201 13.934 1.00 71.32 C ATOM 914 OE1 GLN A 61 -9.502 -24.658 13.802 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.328 -24.959 14.230 1.00 15.31 N ATOM 0 H GLN A 61 -10.004 -20.388 14.218 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.710 -20.388 12.502 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.043 -22.267 12.968 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.841 -22.585 11.734 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -7.057 -22.583 13.440 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.229 -22.202 14.687 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.404 -24.539 14.331 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -7.449 -25.964 14.358 1.00 15.31 H new ATOM 924 N CYS A 62 -10.644 -19.719 11.230 1.00 12.43 N ATOM 925 CA CYS A 62 -11.334 -19.255 10.030 1.00 63.15 C ATOM 926 C CYS A 62 -10.765 -17.916 9.559 1.00 45.14 C ATOM 927 O CYS A 62 -10.495 -17.734 8.370 1.00 24.33 O ATOM 928 CB CYS A 62 -12.836 -19.151 10.295 1.00 43.44 C ATOM 929 SG CYS A 62 -13.598 -20.723 10.741 1.00 5.43 S ATOM 0 H CYS A 62 -11.217 -19.712 12.074 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.174 -19.981 9.233 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.007 -18.433 11.097 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.328 -18.757 9.405 1.00 43.44 H new ATOM 0 HG CYS A 62 -13.574 -20.866 12.033 1.00 5.43 H new ATOM 935 N LEU A 63 -10.574 -16.980 10.492 1.00 32.10 N ATOM 936 CA LEU A 63 -9.980 -15.689 10.148 1.00 54.21 C ATOM 937 C LEU A 63 -8.513 -15.875 9.760 1.00 45.12 C ATOM 938 O LEU A 63 -8.015 -15.207 8.854 1.00 0.30 O ATOM 939 CB LEU A 63 -10.150 -14.667 11.294 1.00 51.43 C ATOM 940 CG LEU A 63 -9.430 -14.976 12.624 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.973 -14.504 12.595 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.171 -14.342 13.795 1.00 43.32 C ATOM 0 H LEU A 63 -10.818 -17.090 11.476 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.508 -15.280 9.286 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.801 -13.698 10.938 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.215 -14.566 11.502 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.428 -16.058 12.755 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.496 -14.737 13.547 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.442 -15.011 11.789 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.943 -13.427 12.428 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.648 -14.571 14.723 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.211 -13.261 13.658 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.185 -14.739 13.842 1.00 43.32 H new ATOM 954 N GLN A 64 -7.838 -16.802 10.444 1.00 23.35 N ATOM 955 CA GLN A 64 -6.449 -17.142 10.136 1.00 61.05 C ATOM 956 C GLN A 64 -6.362 -17.801 8.761 1.00 42.03 C ATOM 957 O GLN A 64 -5.377 -17.655 8.035 1.00 43.03 O ATOM 958 CB GLN A 64 -5.872 -18.072 11.215 1.00 61.12 C ATOM 959 CG GLN A 64 -4.406 -18.434 11.002 1.00 33.54 C ATOM 960 CD GLN A 64 -3.850 -19.290 12.127 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.915 -20.521 12.083 1.00 25.14 O ATOM 962 NE2 GLN A 64 -3.294 -18.647 13.143 1.00 60.21 N ATOM 0 H GLN A 64 -8.235 -17.333 11.219 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.859 -16.225 10.122 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -5.980 -17.593 12.188 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.462 -18.988 11.244 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.300 -18.967 10.057 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.817 -17.520 10.920 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -3.259 -17.628 13.144 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -2.901 -19.171 13.925 1.00 60.21 H new ATOM 971 N ARG A 65 -7.419 -18.514 8.409 1.00 40.34 N ATOM 972 CA ARG A 65 -7.480 -19.248 7.154 1.00 13.52 C ATOM 973 C ARG A 65 -7.468 -18.279 5.973 1.00 14.24 C ATOM 974 O ARG A 65 -6.675 -18.424 5.044 1.00 44.41 O ATOM 975 CB ARG A 65 -8.752 -20.115 7.130 1.00 2.22 C ATOM 976 CG ARG A 65 -8.691 -21.307 6.185 1.00 23.32 C ATOM 977 CD ARG A 65 -9.908 -22.213 6.358 1.00 54.45 C ATOM 978 NE ARG A 65 -9.718 -23.519 5.725 1.00 65.22 N ATOM 979 CZ ARG A 65 -9.646 -24.674 6.393 1.00 14.34 C ATOM 980 NH1 ARG A 65 -9.758 -24.695 7.716 1.00 74.43 N ATOM 981 NH2 ARG A 65 -9.466 -25.800 5.729 1.00 73.25 N ATOM 0 H ARG A 65 -8.258 -18.601 8.983 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.607 -19.895 7.071 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.947 -20.478 8.139 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.598 -19.488 6.848 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.640 -20.955 5.155 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.781 -21.877 6.373 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.108 -22.352 7.421 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.785 -21.727 5.929 1.00 54.45 H new ATOM 0 HE ARG A 65 -9.635 -23.549 4.709 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -9.900 -23.825 8.230 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -9.702 -25.581 8.219 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -9.383 -25.785 4.713 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -9.410 -26.685 6.232 1.00 73.25 H new ATOM 995 N ILE A 66 -8.336 -17.274 6.032 1.00 5.32 N ATOM 996 CA ILE A 66 -8.473 -16.312 4.940 1.00 74.32 C ATOM 997 C ILE A 66 -7.253 -15.395 4.832 1.00 34.13 C ATOM 998 O ILE A 66 -6.770 -15.131 3.725 1.00 70.50 O ATOM 999 CB ILE A 66 -9.763 -15.464 5.074 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.835 -14.768 6.442 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.992 -16.341 4.859 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.037 -13.858 6.602 1.00 42.21 C ATOM 0 H ILE A 66 -8.956 -17.103 6.824 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.543 -16.898 4.024 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.740 -14.690 4.307 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.858 -15.526 7.225 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.927 -14.184 6.591 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.893 -15.735 4.955 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.955 -16.781 3.862 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -11.007 -17.135 5.605 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.019 -13.403 7.592 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.005 -13.077 5.843 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.952 -14.440 6.486 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.740 -14.928 5.975 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.593 -14.020 5.977 1.00 71.01 C ATOM 1016 C GLU A 67 -4.376 -14.687 5.335 1.00 51.43 C ATOM 1017 O GLU A 67 -3.767 -14.126 4.430 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.246 -13.550 7.401 1.00 61.10 C ATOM 1019 CG GLU A 67 -4.953 -14.690 8.367 1.00 14.42 C ATOM 1020 CD GLU A 67 -4.352 -14.239 9.691 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -4.837 -13.251 10.276 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -3.387 -14.885 10.154 1.00 43.23 O ATOM 0 H GLU A 67 -7.098 -15.162 6.901 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.869 -13.144 5.390 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -4.378 -12.892 7.356 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -6.074 -12.959 7.791 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -5.878 -15.232 8.565 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -4.269 -15.391 7.889 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.060 -15.910 5.765 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.843 -16.596 5.317 1.00 35.25 C ATOM 1031 C GLN A 68 -2.977 -17.119 3.881 1.00 3.20 C ATOM 1032 O GLN A 68 -2.062 -17.762 3.359 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.492 -17.750 6.269 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.262 -17.311 7.714 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.730 -18.430 8.597 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -1.985 -19.610 8.356 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -0.996 -18.060 9.636 1.00 13.54 N ATOM 0 H GLN A 68 -4.627 -16.446 6.421 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.036 -15.864 5.330 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.297 -18.485 6.246 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.595 -18.249 5.904 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.558 -16.479 7.728 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -3.200 -16.942 8.130 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.807 -17.071 9.801 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.619 -18.764 10.271 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.119 -16.850 3.256 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.362 -17.263 1.870 1.00 22.31 C ATOM 1048 C LEU A 69 -4.238 -16.081 0.911 1.00 33.43 C ATOM 1049 O LEU A 69 -3.348 -16.038 0.061 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.754 -17.906 1.716 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.888 -19.344 2.246 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.325 -19.846 2.103 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.927 -20.279 1.517 1.00 42.22 C ATOM 0 H LEU A 69 -4.895 -16.347 3.685 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.602 -18.002 1.618 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.482 -17.279 2.231 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -6.021 -17.902 0.659 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.630 -19.337 3.305 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.394 -20.865 2.485 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.994 -19.200 2.671 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.612 -19.832 1.052 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.038 -21.291 1.907 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.153 -20.274 0.451 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.902 -19.941 1.672 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.158 -15.137 1.055 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.269 -14.005 0.139 1.00 33.32 C ATOM 1067 C TRP A 70 -4.340 -12.864 0.555 1.00 14.11 C ATOM 1068 O TRP A 70 -3.534 -12.370 -0.237 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.728 -13.514 0.111 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.044 -12.609 -1.038 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.787 -11.271 -1.129 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.699 -12.978 -2.253 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -7.228 -10.791 -2.336 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.796 -11.819 -3.044 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.210 -14.181 -2.752 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.383 -11.827 -4.305 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.795 -14.188 -4.003 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.877 -13.016 -4.768 1.00 22.44 C ATOM 0 H TRP A 70 -5.847 -15.132 1.807 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.971 -14.333 -0.857 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.391 -14.379 0.072 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.942 -12.990 1.042 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.308 -10.678 -0.364 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -7.147 -9.826 -2.655 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -8.148 -15.088 -2.169 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.447 -10.926 -4.898 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.195 -15.110 -4.398 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -9.340 -13.052 -5.743 1.00 22.44 H new ATOM 1089 N THR A 71 -4.484 -12.456 1.806 1.00 54.12 N ATOM 1090 CA THR A 71 -3.830 -11.267 2.341 1.00 14.01 C ATOM 1091 C THR A 71 -2.423 -11.580 2.871 1.00 15.51 C ATOM 1092 O THR A 71 -1.665 -10.668 3.202 1.00 20.13 O ATOM 1093 CB THR A 71 -4.697 -10.650 3.464 1.00 13.44 C ATOM 1094 OG1 THR A 71 -6.087 -10.887 3.186 1.00 21.02 O ATOM 1095 CG2 THR A 71 -4.460 -9.146 3.582 1.00 55.35 C ATOM 0 H THR A 71 -5.064 -12.945 2.488 1.00 54.12 H new ATOM 0 HA THR A 71 -3.723 -10.550 1.527 1.00 14.01 H new ATOM 0 HB THR A 71 -4.416 -11.121 4.406 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.634 -10.497 3.899 1.00 21.02 H new ATOM 0 HG21 THR A 71 -5.083 -8.741 4.379 1.00 55.35 H new ATOM 0 HG22 THR A 71 -3.411 -8.960 3.811 1.00 55.35 H new ATOM 0 HG23 THR A 71 -4.717 -8.662 2.640 1.00 55.35 H new ATOM 1103 N ASP A 72 -2.109 -12.877 2.972 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.919 -13.385 3.681 1.00 73.31 C ATOM 1105 C ASP A 72 0.350 -12.564 3.435 1.00 64.32 C ATOM 1106 O ASP A 72 1.259 -12.566 4.268 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.653 -14.839 3.293 1.00 14.44 C ATOM 1108 CG ASP A 72 0.063 -14.994 1.960 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.495 -14.585 0.922 1.00 33.45 O ATOM 1110 OD2 ASP A 72 1.188 -15.547 1.944 1.00 35.04 O ATOM 0 H ASP A 72 -2.679 -13.616 2.560 1.00 23.54 H new ATOM 0 HA ASP A 72 -1.152 -13.301 4.743 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -0.056 -15.311 4.073 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.602 -15.374 3.250 1.00 14.44 H new ATOM 1115 N MET A 73 0.438 -11.902 2.290 1.00 3.33 N ATOM 1116 CA MET A 73 1.545 -10.983 2.034 1.00 42.30 C ATOM 1117 C MET A 73 1.379 -9.741 2.910 1.00 21.21 C ATOM 1118 O MET A 73 0.889 -8.703 2.457 1.00 61.04 O ATOM 1119 CB MET A 73 1.616 -10.605 0.546 1.00 75.02 C ATOM 1120 CG MET A 73 1.915 -11.789 -0.368 1.00 60.21 C ATOM 1121 SD MET A 73 3.492 -12.584 0.018 1.00 34.12 S ATOM 1122 CE MET A 73 4.653 -11.271 -0.358 1.00 71.41 C ATOM 0 H MET A 73 -0.236 -11.981 1.528 1.00 3.33 H new ATOM 0 HA MET A 73 2.484 -11.475 2.286 1.00 42.30 H new ATOM 0 HB2 MET A 73 0.669 -10.156 0.248 1.00 75.02 H new ATOM 0 HB3 MET A 73 2.386 -9.846 0.408 1.00 75.02 H new ATOM 0 HG2 MET A 73 1.112 -12.521 -0.282 1.00 60.21 H new ATOM 0 HG3 MET A 73 1.927 -11.450 -1.404 1.00 60.21 H new ATOM 0 HE1 MET A 73 5.657 -11.687 -0.444 1.00 71.41 H new ATOM 0 HE2 MET A 73 4.374 -10.797 -1.299 1.00 71.41 H new ATOM 0 HE3 MET A 73 4.635 -10.529 0.441 1.00 71.41 H new ATOM 1132 N VAL A 74 1.751 -9.882 4.181 1.00 33.41 N ATOM 1133 CA VAL A 74 1.517 -8.848 5.187 1.00 45.22 C ATOM 1134 C VAL A 74 2.522 -7.697 5.050 1.00 1.21 C ATOM 1135 O VAL A 74 3.567 -7.848 4.412 1.00 54.40 O ATOM 1136 CB VAL A 74 1.585 -9.439 6.630 1.00 10.10 C ATOM 1137 CG1 VAL A 74 0.871 -10.785 6.713 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.024 -9.558 7.123 1.00 71.12 C ATOM 0 H VAL A 74 2.221 -10.712 4.541 1.00 33.41 H new ATOM 0 HA VAL A 74 0.515 -8.456 5.016 1.00 45.22 H new ATOM 0 HB VAL A 74 1.067 -8.741 7.287 1.00 10.10 H new ATOM 0 HG11 VAL A 74 0.937 -11.170 7.731 1.00 23.42 H new ATOM 0 HG12 VAL A 74 -0.177 -10.659 6.440 1.00 23.42 H new ATOM 0 HG13 VAL A 74 1.342 -11.490 6.028 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.030 -9.973 8.131 1.00 71.12 H new ATOM 0 HG22 VAL A 74 3.584 -10.214 6.457 1.00 71.12 H new ATOM 0 HG23 VAL A 74 3.488 -8.572 7.134 1.00 71.12 H new ATOM 1148 N PRO A 75 2.200 -6.521 5.633 1.00 55.42 N ATOM 1149 CA PRO A 75 3.103 -5.357 5.636 1.00 60.35 C ATOM 1150 C PRO A 75 4.360 -5.586 6.491 1.00 72.13 C ATOM 1151 O PRO A 75 4.696 -6.723 6.842 1.00 1.32 O ATOM 1152 CB PRO A 75 2.232 -4.239 6.237 1.00 71.04 C ATOM 1153 CG PRO A 75 1.202 -4.946 7.045 1.00 45.31 C ATOM 1154 CD PRO A 75 0.920 -6.224 6.311 1.00 22.00 C ATOM 0 HA PRO A 75 3.484 -5.133 4.640 1.00 60.35 H new ATOM 0 HB2 PRO A 75 2.825 -3.566 6.856 1.00 71.04 H new ATOM 0 HB3 PRO A 75 1.773 -3.633 5.456 1.00 71.04 H new ATOM 0 HG2 PRO A 75 1.564 -5.145 8.054 1.00 45.31 H new ATOM 0 HG3 PRO A 75 0.299 -4.343 7.143 1.00 45.31 H new ATOM 0 HD2 PRO A 75 0.632 -7.024 6.993 1.00 22.00 H new ATOM 0 HD3 PRO A 75 0.105 -6.105 5.597 1.00 22.00 H new ATOM 1162 N ALA A 76 5.040 -4.487 6.840 1.00 51.25 N ATOM 1163 CA ALA A 76 6.265 -4.535 7.646 1.00 24.45 C ATOM 1164 C ALA A 76 6.044 -5.300 8.951 1.00 43.13 C ATOM 1165 O ALA A 76 6.993 -5.808 9.554 1.00 43.44 O ATOM 1166 CB ALA A 76 6.760 -3.121 7.937 1.00 60.32 C ATOM 0 H ALA A 76 4.758 -3.544 6.573 1.00 51.25 H new ATOM 0 HA ALA A 76 7.024 -5.067 7.072 1.00 24.45 H new ATOM 0 HB1 ALA A 76 7.669 -3.170 8.536 1.00 60.32 H new ATOM 0 HB2 ALA A 76 6.971 -2.609 6.998 1.00 60.32 H new ATOM 0 HB3 ALA A 76 5.994 -2.573 8.485 1.00 60.32 H new ATOM 1172 N SER A 77 4.781 -5.400 9.355 1.00 71.53 N ATOM 1173 CA SER A 77 4.384 -6.104 10.573 1.00 24.45 C ATOM 1174 C SER A 77 4.956 -7.528 10.636 1.00 52.41 C ATOM 1175 O SER A 77 5.006 -8.133 11.707 1.00 1.13 O ATOM 1176 CB SER A 77 2.856 -6.149 10.656 1.00 43.23 C ATOM 1177 OG SER A 77 2.298 -4.851 10.516 1.00 75.44 O ATOM 0 H SER A 77 3.998 -4.992 8.844 1.00 71.53 H new ATOM 0 HA SER A 77 4.792 -5.557 11.423 1.00 24.45 H new ATOM 0 HB2 SER A 77 2.465 -6.802 9.876 1.00 43.23 H new ATOM 0 HB3 SER A 77 2.553 -6.577 11.611 1.00 43.23 H new ATOM 0 HG SER A 77 1.321 -4.907 10.571 1.00 75.44 H new ATOM 1183 N VAL A 78 5.382 -8.062 9.487 1.00 50.43 N ATOM 1184 CA VAL A 78 5.987 -9.392 9.428 1.00 1.34 C ATOM 1185 C VAL A 78 7.164 -9.506 10.408 1.00 72.15 C ATOM 1186 O VAL A 78 7.406 -10.571 10.977 1.00 61.33 O ATOM 1187 CB VAL A 78 6.456 -9.741 7.989 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.585 -8.819 7.534 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.874 -11.209 7.894 1.00 22.14 C ATOM 0 H VAL A 78 5.318 -7.591 8.585 1.00 50.43 H new ATOM 0 HA VAL A 78 5.219 -10.108 9.719 1.00 1.34 H new ATOM 0 HB VAL A 78 5.612 -9.585 7.317 1.00 12.41 H new ATOM 0 HG11 VAL A 78 7.891 -9.089 6.523 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.237 -7.786 7.544 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.434 -8.923 8.210 1.00 13.13 H new ATOM 0 HG21 VAL A 78 7.198 -11.430 6.877 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.694 -11.399 8.586 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.027 -11.846 8.151 1.00 22.14 H new ATOM 1199 N ARG A 79 7.860 -8.388 10.632 1.00 61.45 N ATOM 1200 CA ARG A 79 8.999 -8.352 11.554 1.00 14.22 C ATOM 1201 C ARG A 79 8.561 -8.716 12.972 1.00 51.30 C ATOM 1202 O ARG A 79 9.251 -9.459 13.672 1.00 43.03 O ATOM 1203 CB ARG A 79 9.672 -6.964 11.546 1.00 63.44 C ATOM 1204 CG ARG A 79 10.647 -6.739 10.387 1.00 63.40 C ATOM 1205 CD ARG A 79 9.967 -6.779 9.028 1.00 74.44 C ATOM 1206 NE ARG A 79 10.932 -6.732 7.927 1.00 53.13 N ATOM 1207 CZ ARG A 79 10.615 -6.466 6.660 1.00 42.11 C ATOM 1208 NH1 ARG A 79 9.361 -6.181 6.330 1.00 73.33 N ATOM 1209 NH2 ARG A 79 11.560 -6.480 5.726 1.00 64.44 N ATOM 0 H ARG A 79 7.654 -7.494 10.186 1.00 61.45 H new ATOM 0 HA ARG A 79 9.726 -9.090 11.214 1.00 14.22 H new ATOM 0 HB2 ARG A 79 8.897 -6.198 11.506 1.00 63.44 H new ATOM 0 HB3 ARG A 79 10.207 -6.828 12.486 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.138 -5.774 10.514 1.00 63.40 H new ATOM 0 HG3 ARG A 79 11.426 -7.501 10.421 1.00 63.40 H new ATOM 0 HD2 ARG A 79 9.371 -7.688 8.948 1.00 74.44 H new ATOM 0 HD3 ARG A 79 9.279 -5.938 8.943 1.00 74.44 H new ATOM 0 HE ARG A 79 11.912 -6.915 8.144 1.00 53.13 H new ATOM 0 HH11 ARG A 79 8.636 -6.165 7.047 1.00 73.33 H new ATOM 0 HH12 ARG A 79 9.123 -5.978 5.359 1.00 73.33 H new ATOM 0 HH21 ARG A 79 12.525 -6.694 5.980 1.00 64.44 H new ATOM 0 HH22 ARG A 79 11.321 -6.277 4.755 1.00 64.44 H new ATOM 1223 N GLU A 80 7.393 -8.218 13.378 1.00 45.44 N ATOM 1224 CA GLU A 80 6.876 -8.458 14.727 1.00 22.12 C ATOM 1225 C GLU A 80 6.670 -9.951 14.971 1.00 4.33 C ATOM 1226 O GLU A 80 6.749 -10.423 16.103 1.00 13.03 O ATOM 1227 CB GLU A 80 5.561 -7.694 14.937 1.00 62.53 C ATOM 1228 CG GLU A 80 4.990 -7.795 16.356 1.00 73.11 C ATOM 1229 CD GLU A 80 5.953 -7.300 17.431 1.00 33.40 C ATOM 1230 OE1 GLU A 80 6.502 -6.189 17.280 1.00 51.44 O ATOM 1231 OE2 GLU A 80 6.164 -8.018 18.434 1.00 33.42 O ATOM 0 H GLU A 80 6.786 -7.645 12.792 1.00 45.44 H new ATOM 0 HA GLU A 80 7.610 -8.094 15.445 1.00 22.12 H new ATOM 0 HB2 GLU A 80 5.723 -6.643 14.698 1.00 62.53 H new ATOM 0 HB3 GLU A 80 4.820 -8.071 14.232 1.00 62.53 H new ATOM 0 HG2 GLU A 80 4.067 -7.217 16.411 1.00 73.11 H new ATOM 0 HG3 GLU A 80 4.729 -8.833 16.562 1.00 73.11 H new ATOM 1238 N HIS A 81 6.437 -10.701 13.896 1.00 54.53 N ATOM 1239 CA HIS A 81 6.213 -12.139 14.008 1.00 0.23 C ATOM 1240 C HIS A 81 7.520 -12.862 14.319 1.00 2.25 C ATOM 1241 O HIS A 81 7.520 -13.901 14.969 1.00 34.22 O ATOM 1242 CB HIS A 81 5.587 -12.693 12.722 1.00 32.20 C ATOM 1243 CG HIS A 81 4.207 -12.168 12.454 1.00 2.42 C ATOM 1244 ND1 HIS A 81 3.060 -12.891 12.692 1.00 13.53 N ATOM 1245 CD2 HIS A 81 3.794 -10.973 11.970 1.00 0.35 C ATOM 1246 CE1 HIS A 81 2.007 -12.168 12.366 1.00 43.44 C ATOM 1247 NE2 HIS A 81 2.423 -10.995 11.926 1.00 2.53 N ATOM 0 H HIS A 81 6.399 -10.339 12.943 1.00 54.53 H new ATOM 0 HA HIS A 81 5.518 -12.312 14.829 1.00 0.23 H new ATOM 0 HB2 HIS A 81 6.231 -12.446 11.878 1.00 32.20 H new ATOM 0 HB3 HIS A 81 5.548 -13.780 12.786 1.00 32.20 H new ATOM 0 HD1 HIS A 81 3.030 -13.840 13.064 1.00 13.53 H new ATOM 0 HD2 HIS A 81 4.429 -10.151 11.672 1.00 0.35 H new ATOM 0 HE1 HIS A 81 0.977 -12.483 12.446 1.00 43.44 H new ATOM 1256 N LEU A 82 8.635 -12.294 13.861 1.00 52.02 N ATOM 1257 CA LEU A 82 9.959 -12.850 14.144 1.00 15.11 C ATOM 1258 C LEU A 82 10.449 -12.369 15.509 1.00 65.10 C ATOM 1259 O LEU A 82 11.481 -12.818 16.009 1.00 73.43 O ATOM 1260 CB LEU A 82 10.968 -12.458 13.047 1.00 12.10 C ATOM 1261 CG LEU A 82 10.839 -13.215 11.711 1.00 72.24 C ATOM 1262 CD1 LEU A 82 11.022 -14.716 11.918 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.501 -12.921 11.031 1.00 53.35 C ATOM 0 H LEU A 82 8.648 -11.448 13.292 1.00 52.02 H new ATOM 0 HA LEU A 82 9.878 -13.937 14.158 1.00 15.11 H new ATOM 0 HB2 LEU A 82 10.864 -11.391 12.849 1.00 12.10 H new ATOM 0 HB3 LEU A 82 11.975 -12.613 13.434 1.00 12.10 H new ATOM 0 HG LEU A 82 11.632 -12.861 11.052 1.00 72.24 H new ATOM 0 HD11 LEU A 82 10.927 -15.230 10.961 1.00 41.43 H new ATOM 0 HD12 LEU A 82 12.010 -14.908 12.336 1.00 41.43 H new ATOM 0 HD13 LEU A 82 10.260 -15.084 12.605 1.00 41.43 H new ATOM 0 HD21 LEU A 82 9.442 -13.470 10.091 1.00 53.35 H new ATOM 0 HD22 LEU A 82 8.685 -13.231 11.684 1.00 53.35 H new ATOM 0 HD23 LEU A 82 9.421 -11.852 10.832 1.00 53.35 H new ATOM 1275 N ASN A 83 9.688 -11.456 16.106 1.00 23.21 N ATOM 1276 CA ASN A 83 10.020 -10.876 17.408 1.00 34.30 C ATOM 1277 C ASN A 83 9.430 -11.732 18.538 1.00 64.54 C ATOM 1278 O ASN A 83 9.547 -11.396 19.717 1.00 24.35 O ATOM 1279 CB ASN A 83 9.476 -9.437 17.480 1.00 5.33 C ATOM 1280 CG ASN A 83 9.934 -8.672 18.712 1.00 13.22 C ATOM 1281 OD1 ASN A 83 11.046 -8.871 19.210 1.00 20.11 O ATOM 1282 ND2 ASN A 83 9.077 -7.795 19.212 1.00 42.20 N ATOM 0 H ASN A 83 8.823 -11.096 15.702 1.00 23.21 H new ATOM 0 HA ASN A 83 11.103 -10.854 17.528 1.00 34.30 H new ATOM 0 HB2 ASN A 83 9.790 -8.894 16.588 1.00 5.33 H new ATOM 0 HB3 ASN A 83 8.387 -9.469 17.467 1.00 5.33 H new ATOM 0 HD21 ASN A 83 9.326 -7.253 20.040 1.00 42.20 H new ATOM 0 HD22 ASN A 83 8.168 -7.661 18.770 1.00 42.20 H new ATOM 1289 N GLN A 84 8.797 -12.846 18.158 1.00 54.12 N ATOM 1290 CA GLN A 84 8.158 -13.753 19.112 1.00 32.44 C ATOM 1291 C GLN A 84 9.178 -14.350 20.084 1.00 35.52 C ATOM 1292 O GLN A 84 10.225 -14.853 19.673 1.00 62.41 O ATOM 1293 CB GLN A 84 7.417 -14.887 18.374 1.00 74.55 C ATOM 1294 CG GLN A 84 8.302 -15.710 17.434 1.00 74.02 C ATOM 1295 CD GLN A 84 7.564 -16.887 16.810 1.00 54.40 C ATOM 1296 OE1 GLN A 84 6.935 -16.755 15.763 1.00 71.43 O ATOM 1297 NE2 GLN A 84 7.656 -18.051 17.436 1.00 3.04 N ATOM 0 H GLN A 84 8.714 -13.142 17.185 1.00 54.12 H new ATOM 0 HA GLN A 84 7.438 -13.169 19.685 1.00 32.44 H new ATOM 0 HB2 GLN A 84 6.971 -15.554 19.112 1.00 74.55 H new ATOM 0 HB3 GLN A 84 6.598 -14.456 17.798 1.00 74.55 H new ATOM 0 HG2 GLN A 84 8.683 -15.064 16.642 1.00 74.02 H new ATOM 0 HG3 GLN A 84 9.166 -16.080 17.986 1.00 74.02 H new ATOM 0 HE21 GLN A 84 8.187 -18.123 18.304 1.00 3.04 H new ATOM 0 HE22 GLN A 84 7.196 -18.875 17.050 1.00 3.04 H new ATOM 1306 N HIS A 85 8.872 -14.278 21.374 1.00 50.13 N ATOM 1307 CA HIS A 85 9.693 -14.913 22.403 1.00 23.14 C ATOM 1308 C HIS A 85 9.145 -16.302 22.709 1.00 22.41 C ATOM 1309 O HIS A 85 8.548 -16.523 23.763 1.00 2.45 O ATOM 1310 CB HIS A 85 9.731 -14.064 23.686 1.00 52.30 C ATOM 1311 CG HIS A 85 10.559 -12.819 23.572 1.00 34.32 C ATOM 1312 ND1 HIS A 85 11.626 -12.548 24.400 1.00 73.50 N ATOM 1313 CD2 HIS A 85 10.467 -11.766 22.727 1.00 52.32 C ATOM 1314 CE1 HIS A 85 12.151 -11.385 24.070 1.00 52.11 C ATOM 1315 NE2 HIS A 85 11.469 -10.888 23.056 1.00 52.35 N ATOM 0 H HIS A 85 8.057 -13.783 21.736 1.00 50.13 H new ATOM 0 HA HIS A 85 10.713 -14.998 22.027 1.00 23.14 H new ATOM 0 HB2 HIS A 85 8.712 -13.786 23.955 1.00 52.30 H new ATOM 0 HB3 HIS A 85 10.121 -14.674 24.501 1.00 52.30 H new ATOM 0 HD2 HIS A 85 9.739 -11.640 21.939 1.00 52.32 H new ATOM 0 HE1 HIS A 85 12.998 -10.917 24.550 1.00 52.11 H new ATOM 0 HE2 HIS A 85 11.656 -9.998 22.593 1.00 52.35 H new ATOM 1324 N SER A 86 9.320 -17.220 21.759 1.00 2.41 N ATOM 1325 CA SER A 86 8.814 -18.587 21.887 1.00 53.33 C ATOM 1326 C SER A 86 7.294 -18.586 22.100 1.00 3.22 C ATOM 1327 O SER A 86 6.732 -19.530 22.662 1.00 51.12 O ATOM 1328 CB SER A 86 9.528 -19.312 23.043 1.00 53.13 C ATOM 1329 OG SER A 86 9.142 -20.680 23.124 1.00 2.23 O ATOM 0 H SER A 86 9.813 -17.039 20.884 1.00 2.41 H new ATOM 0 HA SER A 86 9.023 -19.123 20.961 1.00 53.33 H new ATOM 0 HB2 SER A 86 10.607 -19.246 22.903 1.00 53.13 H new ATOM 0 HB3 SER A 86 9.297 -18.812 23.984 1.00 53.13 H new ATOM 0 HG SER A 86 8.174 -20.755 22.994 1.00 2.23 H new ATOM 1335 N GLY A 87 6.626 -17.539 21.612 1.00 74.42 N ATOM 1336 CA GLY A 87 5.189 -17.409 21.806 1.00 31.33 C ATOM 1337 C GLY A 87 4.413 -17.321 20.501 1.00 32.32 C ATOM 1338 O GLY A 87 3.944 -16.240 20.134 1.00 53.13 O ATOM 0 H GLY A 87 7.056 -16.778 21.085 1.00 74.42 H new ATOM 0 HA2 GLY A 87 4.828 -18.263 22.379 1.00 31.33 H new ATOM 0 HA3 GLY A 87 4.989 -16.518 22.401 1.00 31.33 H new ATOM 1342 N PRO A 88 4.278 -18.443 19.764 1.00 70.20 N ATOM 1343 CA PRO A 88 3.479 -18.512 18.551 1.00 73.53 C ATOM 1344 C PRO A 88 2.082 -19.080 18.826 1.00 3.41 C ATOM 1345 O PRO A 88 1.601 -19.048 19.964 1.00 45.03 O ATOM 1346 CB PRO A 88 4.313 -19.468 17.698 1.00 5.34 C ATOM 1347 CG PRO A 88 4.898 -20.438 18.681 1.00 11.52 C ATOM 1348 CD PRO A 88 4.913 -19.748 20.034 1.00 42.10 C ATOM 0 HA PRO A 88 3.292 -17.544 18.086 1.00 73.53 H new ATOM 0 HB2 PRO A 88 3.698 -19.977 16.956 1.00 5.34 H new ATOM 0 HB3 PRO A 88 5.093 -18.936 17.154 1.00 5.34 H new ATOM 0 HG2 PRO A 88 4.304 -21.351 18.721 1.00 11.52 H new ATOM 0 HG3 PRO A 88 5.906 -20.726 18.384 1.00 11.52 H new ATOM 0 HD2 PRO A 88 4.359 -20.317 20.781 1.00 42.10 H new ATOM 0 HD3 PRO A 88 5.928 -19.629 20.413 1.00 42.10 H new ATOM 1356 N GLY A 89 1.436 -19.612 17.790 1.00 45.11 N ATOM 1357 CA GLY A 89 0.091 -20.144 17.940 1.00 73.43 C ATOM 1358 C GLY A 89 -0.935 -19.031 17.990 1.00 22.31 C ATOM 1359 O GLY A 89 -1.728 -18.865 17.059 1.00 11.13 O ATOM 0 H GLY A 89 1.821 -19.684 16.848 1.00 45.11 H new ATOM 0 HA2 GLY A 89 -0.134 -20.812 17.109 1.00 73.43 H new ATOM 0 HA3 GLY A 89 0.032 -20.738 18.852 1.00 73.43 H new ATOM 1363 N ILE A 90 -0.906 -18.252 19.070 1.00 5.14 N ATOM 1364 CA ILE A 90 -1.731 -17.054 19.180 1.00 21.42 C ATOM 1365 C ILE A 90 -1.067 -15.933 18.379 1.00 23.35 C ATOM 1366 O ILE A 90 -0.647 -14.908 18.917 1.00 33.33 O ATOM 1367 CB ILE A 90 -1.935 -16.622 20.662 1.00 44.04 C ATOM 1368 CG1 ILE A 90 -2.425 -17.812 21.506 1.00 14.02 C ATOM 1369 CG2 ILE A 90 -2.925 -15.455 20.757 1.00 43.22 C ATOM 1370 CD1 ILE A 90 -3.753 -18.385 21.050 1.00 22.10 C ATOM 0 H ILE A 90 -0.317 -18.432 19.883 1.00 5.14 H new ATOM 0 HA ILE A 90 -2.721 -17.270 18.778 1.00 21.42 H new ATOM 0 HB ILE A 90 -0.975 -16.288 21.055 1.00 44.04 H new ATOM 0 HG12 ILE A 90 -1.672 -18.599 21.477 1.00 14.02 H new ATOM 0 HG13 ILE A 90 -2.515 -17.495 22.545 1.00 14.02 H new ATOM 0 HG21 ILE A 90 -3.052 -15.170 21.801 1.00 43.22 H new ATOM 0 HG22 ILE A 90 -2.541 -14.605 20.193 1.00 43.22 H new ATOM 0 HG23 ILE A 90 -3.887 -15.759 20.344 1.00 43.22 H new ATOM 0 HD11 ILE A 90 -4.030 -19.219 21.694 1.00 22.10 H new ATOM 0 HD12 ILE A 90 -4.521 -17.613 21.106 1.00 22.10 H new ATOM 0 HD13 ILE A 90 -3.664 -18.735 20.021 1.00 22.10 H new ATOM 1382 N ASP A 91 -0.951 -16.172 17.080 1.00 1.23 N ATOM 1383 CA ASP A 91 -0.268 -15.267 16.169 1.00 74.51 C ATOM 1384 C ASP A 91 -1.109 -15.103 14.916 1.00 2.04 C ATOM 1385 O ASP A 91 -1.466 -16.091 14.272 1.00 62.54 O ATOM 1386 CB ASP A 91 1.123 -15.823 15.818 1.00 44.12 C ATOM 1387 CG ASP A 91 1.881 -14.949 14.825 1.00 15.41 C ATOM 1388 OD1 ASP A 91 2.262 -13.815 15.193 1.00 24.45 O ATOM 1389 OD2 ASP A 91 2.110 -15.391 13.677 1.00 43.31 O ATOM 0 H ASP A 91 -1.330 -17.004 16.627 1.00 1.23 H new ATOM 0 HA ASP A 91 -0.135 -14.295 16.643 1.00 74.51 H new ATOM 0 HB2 ASP A 91 1.711 -15.919 16.731 1.00 44.12 H new ATOM 0 HB3 ASP A 91 1.013 -16.825 15.402 1.00 44.12 H new ATOM 1394 N TYR A 92 -1.449 -13.862 14.590 1.00 33.23 N ATOM 1395 CA TYR A 92 -2.346 -13.581 13.475 1.00 55.10 C ATOM 1396 C TYR A 92 -1.737 -12.532 12.554 1.00 54.42 C ATOM 1397 O TYR A 92 -0.978 -11.659 12.995 1.00 72.11 O ATOM 1398 CB TYR A 92 -3.717 -13.125 14.000 1.00 14.33 C ATOM 1399 CG TYR A 92 -4.366 -14.139 14.933 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -5.005 -15.269 14.428 1.00 64.52 C ATOM 1401 CD2 TYR A 92 -4.325 -13.973 16.316 1.00 74.10 C ATOM 1402 CE1 TYR A 92 -5.579 -16.202 15.272 1.00 43.34 C ATOM 1403 CE2 TYR A 92 -4.901 -14.903 17.163 1.00 61.43 C ATOM 1404 CZ TYR A 92 -5.525 -16.014 16.636 1.00 34.30 C ATOM 1405 OH TYR A 92 -6.091 -16.945 17.478 1.00 4.12 O ATOM 0 H TYR A 92 -1.117 -13.033 15.082 1.00 33.23 H new ATOM 0 HA TYR A 92 -2.488 -14.494 12.897 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -3.601 -12.178 14.527 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -4.380 -12.941 13.155 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -5.053 -15.419 13.360 1.00 64.52 H new ATOM 0 HD2 TYR A 92 -3.836 -13.105 16.733 1.00 74.10 H new ATOM 0 HE1 TYR A 92 -6.068 -17.074 14.864 1.00 43.34 H new ATOM 0 HE2 TYR A 92 -4.862 -14.759 18.233 1.00 61.43 H new ATOM 0 HH TYR A 92 -5.965 -16.664 18.408 1.00 4.12 H new ATOM 1415 N ALA A 93 -2.069 -12.630 11.281 1.00 11.13 N ATOM 1416 CA ALA A 93 -1.491 -11.784 10.248 1.00 53.10 C ATOM 1417 C ALA A 93 -2.350 -10.541 10.006 1.00 2.23 C ATOM 1418 O ALA A 93 -3.043 -10.062 10.909 1.00 73.52 O ATOM 1419 CB ALA A 93 -1.314 -12.596 8.967 1.00 75.12 C ATOM 0 H ALA A 93 -2.751 -13.302 10.930 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.514 -11.435 10.581 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -0.881 -11.963 8.192 1.00 75.12 H new ATOM 0 HB2 ALA A 93 -0.651 -13.439 9.160 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -2.284 -12.966 8.634 1.00 75.12 H new ATOM 1425 N VAL A 94 -2.288 -10.012 8.787 1.00 65.13 N ATOM 1426 CA VAL A 94 -2.978 -8.777 8.433 1.00 73.34 C ATOM 1427 C VAL A 94 -4.451 -9.035 8.081 1.00 64.21 C ATOM 1428 O VAL A 94 -4.939 -8.713 6.994 1.00 24.50 O ATOM 1429 CB VAL A 94 -2.229 -8.061 7.289 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -2.072 -8.973 6.072 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -2.888 -6.729 6.921 1.00 41.25 C ATOM 0 H VAL A 94 -1.759 -10.427 8.019 1.00 65.13 H new ATOM 0 HA VAL A 94 -2.978 -8.119 9.302 1.00 73.34 H new ATOM 0 HB VAL A 94 -1.228 -7.827 7.652 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -1.541 -8.440 5.284 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -1.507 -9.861 6.354 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -3.056 -9.269 5.710 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -2.330 -6.258 6.112 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -3.914 -6.907 6.598 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.891 -6.072 7.791 1.00 41.25 H new ATOM 1441 N ARG A 95 -5.134 -9.645 9.027 1.00 64.15 N ATOM 1442 CA ARG A 95 -6.582 -9.816 8.970 1.00 53.51 C ATOM 1443 C ARG A 95 -7.241 -8.525 9.457 1.00 63.34 C ATOM 1444 O ARG A 95 -7.746 -7.753 8.617 1.00 22.32 O ATOM 1445 CB ARG A 95 -7.003 -11.027 9.833 1.00 22.34 C ATOM 1446 CG ARG A 95 -8.473 -11.456 9.710 1.00 23.40 C ATOM 1447 CD ARG A 95 -9.428 -10.533 10.467 1.00 44.34 C ATOM 1448 NE ARG A 95 -8.954 -10.252 11.824 1.00 74.54 N ATOM 1449 CZ ARG A 95 -9.647 -10.483 12.937 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -10.867 -11.011 12.876 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -9.118 -10.184 14.117 1.00 42.22 N ATOM 1452 OXT ARG A 95 -7.206 -8.265 10.677 1.00 0.00 O ATOM 0 H ARG A 95 -4.704 -10.040 9.863 1.00 64.15 H new ATOM 0 HA ARG A 95 -6.904 -10.015 7.948 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -6.373 -11.876 9.567 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -6.798 -10.793 10.878 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -8.753 -11.476 8.657 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -8.582 -12.472 10.088 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -9.538 -9.597 9.920 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -10.415 -10.992 10.515 1.00 44.34 H new ATOM 0 HE ARG A 95 -8.022 -9.849 11.924 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -11.278 -11.242 11.972 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -11.391 -11.185 13.734 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -8.183 -9.779 14.169 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -9.646 -10.360 14.972 1.00 42.22 H new TER 1466 ARG A 95