USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 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 108 GLN : amide:sc= 0 X(o=0.52,f=0.46) USER MOD Set 1.2: A 109 THR OG1 : rot 77:sc= 0.516 USER MOD Set 2.1: A 43 GLN :FLIP amide:sc= -2.71 F(o=-3.4!,f=-2.7) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.0964 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0999) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 44 ASN : amide:sc= -4.91! C(o=-4.9!,f=-7.3!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.394 K(o=-0.39,f=-2.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.5) USER MOD Single : A 87 TYR OH : rot 157:sc= -1.72! USER MOD Single : A 88 MET CE :methyl 164:sc= -0.0238 (180deg=-0.333) USER MOD Single : A 98 THR OG1 : rot 80:sc= -0.49 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.402) USER MOD Single : A 112 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.4) USER MOD Single : A 115 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 116 GLN : amide:sc= -0.771 K(o=-0.77,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -2.875 -3.328 -6.047 1.00 74.53 N ATOM 41 CA GLU A 4 -3.498 -3.916 -7.228 1.00 44.43 C ATOM 42 C GLU A 4 -3.989 -5.330 -6.936 1.00 72.00 C ATOM 43 O GLU A 4 -5.015 -5.765 -7.463 1.00 41.22 O ATOM 44 CB GLU A 4 -2.509 -3.937 -8.396 1.00 55.41 C ATOM 45 CG GLU A 4 -3.179 -3.925 -9.760 1.00 51.52 C ATOM 46 CD GLU A 4 -3.431 -2.521 -10.273 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.592 -1.605 -9.439 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.467 -2.337 -11.508 1.00 44.14 O ATOM 0 HA GLU A 4 -4.356 -3.301 -7.500 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.848 -3.074 -8.317 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.883 -4.826 -8.316 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.553 -4.462 -10.473 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -4.126 -4.462 -9.700 1.00 51.52 H new ATOM 55 N LEU A 5 -3.251 -6.044 -6.094 1.00 43.24 N ATOM 56 CA LEU A 5 -3.611 -7.411 -5.732 1.00 13.32 C ATOM 57 C LEU A 5 -4.862 -7.432 -4.860 1.00 63.44 C ATOM 58 O LEU A 5 -5.766 -8.241 -5.073 1.00 51.25 O ATOM 59 CB LEU A 5 -2.451 -8.086 -4.996 1.00 63.32 C ATOM 60 CG LEU A 5 -2.808 -9.326 -4.175 1.00 2.52 C ATOM 61 CD1 LEU A 5 -3.539 -10.344 -5.037 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.557 -9.941 -3.565 1.00 74.41 C ATOM 0 H LEU A 5 -2.400 -5.700 -5.649 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.821 -7.961 -6.649 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -1.695 -8.366 -5.730 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.994 -7.354 -4.331 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.471 -9.023 -3.365 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -3.785 -11.220 -4.436 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -4.456 -9.901 -5.425 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.900 -10.642 -5.868 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.831 -10.822 -2.984 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.869 -10.229 -4.360 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -1.074 -9.213 -2.913 1.00 74.41 H new ATOM 74 N LEU A 6 -4.909 -6.537 -3.880 1.00 10.52 N ATOM 75 CA LEU A 6 -6.052 -6.451 -2.977 1.00 13.21 C ATOM 76 C LEU A 6 -7.284 -5.924 -3.706 1.00 51.12 C ATOM 77 O LEU A 6 -8.404 -6.373 -3.459 1.00 73.12 O ATOM 78 CB LEU A 6 -5.722 -5.544 -1.790 1.00 44.03 C ATOM 79 CG LEU A 6 -4.587 -6.015 -0.881 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.313 -4.989 0.208 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.919 -7.369 -0.270 1.00 22.10 C ATOM 0 H LEU A 6 -4.170 -5.861 -3.690 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.270 -7.454 -2.611 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.467 -4.556 -2.173 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.621 -5.429 -1.185 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.686 -6.123 -1.485 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.502 -5.342 0.845 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.029 -4.041 -0.249 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.211 -4.848 0.809 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.100 -7.688 0.374 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.833 -7.288 0.319 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.063 -8.101 -1.064 1.00 22.10 H new ATOM 93 N ASP A 7 -7.070 -4.973 -4.607 1.00 4.52 N ATOM 94 CA ASP A 7 -8.162 -4.387 -5.376 1.00 25.12 C ATOM 95 C ASP A 7 -8.631 -5.343 -6.469 1.00 33.21 C ATOM 96 O ASP A 7 -9.810 -5.367 -6.823 1.00 24.02 O ATOM 97 CB ASP A 7 -7.723 -3.059 -5.996 1.00 34.32 C ATOM 98 CG ASP A 7 -8.894 -2.139 -6.280 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.500 -2.266 -7.366 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.205 -1.291 -5.418 1.00 34.22 O ATOM 0 H ASP A 7 -6.150 -4.591 -4.824 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.995 -4.204 -4.697 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.027 -2.559 -5.323 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.185 -3.254 -6.923 1.00 34.32 H new ATOM 105 N ALA A 8 -7.699 -6.128 -7.001 1.00 74.43 N ATOM 106 CA ALA A 8 -8.018 -7.086 -8.052 1.00 44.45 C ATOM 107 C ALA A 8 -9.100 -8.059 -7.598 1.00 72.11 C ATOM 108 O ALA A 8 -10.126 -8.217 -8.262 1.00 71.43 O ATOM 109 CB ALA A 8 -6.767 -7.843 -8.472 1.00 72.11 C ATOM 0 H ALA A 8 -6.718 -6.119 -6.721 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.401 -6.533 -8.910 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.019 -8.555 -9.258 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.024 -7.139 -8.846 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.360 -8.378 -7.614 1.00 72.11 H new ATOM 115 N LEU A 9 -8.866 -8.712 -6.465 1.00 65.10 N ATOM 116 CA LEU A 9 -9.822 -9.672 -5.924 1.00 30.43 C ATOM 117 C LEU A 9 -11.198 -9.035 -5.759 1.00 2.51 C ATOM 118 O LEU A 9 -12.213 -9.613 -6.152 1.00 14.11 O ATOM 119 CB LEU A 9 -9.331 -10.204 -4.576 1.00 54.45 C ATOM 120 CG LEU A 9 -7.896 -10.735 -4.547 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.224 -10.382 -3.230 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.879 -12.240 -4.770 1.00 32.24 C ATOM 0 H LEU A 9 -8.023 -8.594 -5.903 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.906 -10.500 -6.628 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.417 -9.405 -3.839 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.000 -11.004 -4.258 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.338 -10.262 -5.355 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.204 -10.767 -3.227 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.203 -9.299 -3.111 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.782 -10.826 -2.406 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.850 -12.600 -4.746 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.453 -12.731 -3.984 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.321 -12.469 -5.740 1.00 32.24 H new ATOM 134 N THR A 10 -11.227 -7.840 -5.178 1.00 42.42 N ATOM 135 CA THR A 10 -12.479 -7.124 -4.963 1.00 45.22 C ATOM 136 C THR A 10 -13.286 -7.028 -6.253 1.00 33.22 C ATOM 137 O THR A 10 -14.491 -7.277 -6.262 1.00 71.53 O ATOM 138 CB THR A 10 -12.228 -5.705 -4.420 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.543 -5.775 -3.164 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.539 -4.953 -4.247 1.00 62.04 C ATOM 0 H THR A 10 -10.397 -7.347 -4.848 1.00 42.42 H new ATOM 0 HA THR A 10 -13.046 -7.692 -4.225 1.00 45.22 H new ATOM 0 HB THR A 10 -11.611 -5.168 -5.140 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.591 -5.945 -3.320 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.337 -3.953 -3.862 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.044 -4.876 -5.210 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.177 -5.490 -3.545 1.00 62.04 H new ATOM 148 N ILE A 11 -12.613 -6.666 -7.340 1.00 32.10 N ATOM 149 CA ILE A 11 -13.268 -6.539 -8.636 1.00 21.23 C ATOM 150 C ILE A 11 -14.001 -7.822 -9.010 1.00 62.33 C ATOM 151 O ILE A 11 -15.088 -7.785 -9.587 1.00 65.32 O ATOM 152 CB ILE A 11 -12.257 -6.195 -9.746 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.552 -4.874 -9.432 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.958 -6.119 -11.094 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.103 -4.844 -9.869 1.00 14.01 C ATOM 0 H ILE A 11 -11.615 -6.456 -7.349 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.988 -5.726 -8.547 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.506 -6.984 -9.791 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.088 -4.060 -9.921 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.603 -4.690 -8.359 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.231 -5.875 -11.869 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.419 -7.081 -11.319 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.727 -5.347 -11.061 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.666 -3.878 -9.615 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.553 -5.636 -9.360 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.045 -4.996 -10.947 1.00 14.01 H new ATOM 167 N LEU A 12 -13.398 -8.958 -8.677 1.00 75.15 N ATOM 168 CA LEU A 12 -13.993 -10.257 -8.976 1.00 35.45 C ATOM 169 C LEU A 12 -15.183 -10.533 -8.064 1.00 52.41 C ATOM 170 O LEU A 12 -16.107 -11.257 -8.435 1.00 23.30 O ATOM 171 CB LEU A 12 -12.951 -11.366 -8.824 1.00 52.11 C ATOM 172 CG LEU A 12 -11.541 -11.034 -9.316 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.623 -12.235 -9.152 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.576 -10.582 -10.769 1.00 60.44 C ATOM 0 H LEU A 12 -12.498 -9.006 -8.200 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.345 -10.238 -10.007 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.892 -11.639 -7.771 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.304 -12.245 -9.362 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.148 -10.217 -8.711 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.624 -11.981 -9.507 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.574 -12.514 -8.100 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.012 -13.072 -9.732 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.564 -10.350 -11.102 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.988 -11.379 -11.388 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.200 -9.693 -10.859 1.00 60.44 H new ATOM 186 N GLU A 13 -15.156 -9.950 -6.871 1.00 2.20 N ATOM 187 CA GLU A 13 -16.235 -10.132 -5.906 1.00 73.44 C ATOM 188 C GLU A 13 -17.573 -9.706 -6.500 1.00 24.32 C ATOM 189 O GLU A 13 -18.561 -10.437 -6.424 1.00 32.15 O ATOM 190 CB GLU A 13 -15.951 -9.333 -4.633 1.00 53.14 C ATOM 191 CG GLU A 13 -16.842 -9.715 -3.463 1.00 32.32 C ATOM 192 CD GLU A 13 -16.861 -11.210 -3.208 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.012 -11.688 -2.425 1.00 5.24 O ATOM 194 OE2 GLU A 13 -17.721 -11.901 -3.790 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.399 -9.347 -6.548 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.289 -11.192 -5.656 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.909 -9.478 -4.348 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.079 -8.271 -4.844 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -16.497 -9.201 -2.566 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -17.858 -9.370 -3.657 1.00 32.32 H new ATOM 201 N LYS A 14 -17.600 -8.516 -7.091 1.00 41.41 N ATOM 202 CA LYS A 14 -18.816 -7.990 -7.700 1.00 53.15 C ATOM 203 C LYS A 14 -19.397 -8.983 -8.702 1.00 32.03 C ATOM 204 O LYS A 14 -20.605 -9.011 -8.932 1.00 33.02 O ATOM 205 CB LYS A 14 -18.528 -6.657 -8.394 1.00 52.04 C ATOM 206 CG LYS A 14 -19.764 -5.796 -8.595 1.00 23.23 C ATOM 207 CD LYS A 14 -19.611 -4.873 -9.791 1.00 74.34 C ATOM 208 CE LYS A 14 -18.472 -3.887 -9.592 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.371 -2.919 -10.720 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.792 -7.897 -7.161 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.548 -7.830 -6.909 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.799 -6.100 -7.805 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.071 -6.853 -9.364 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -20.635 -6.436 -8.737 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.946 -5.204 -7.698 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.428 -5.465 -10.688 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -20.541 -4.328 -9.953 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -18.622 -3.343 -8.659 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -17.533 -4.432 -9.496 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -17.582 -2.264 -10.546 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -18.203 -3.436 -11.607 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -19.258 -2.381 -10.796 1.00 44.11 H new ATOM 223 N GLU A 15 -18.528 -9.797 -9.292 1.00 31.13 N ATOM 224 CA GLU A 15 -18.956 -10.791 -10.269 1.00 10.21 C ATOM 225 C GLU A 15 -19.674 -11.950 -9.586 1.00 74.31 C ATOM 226 O GLU A 15 -19.172 -12.525 -8.620 1.00 23.34 O ATOM 227 CB GLU A 15 -17.753 -11.315 -11.057 1.00 45.25 C ATOM 228 CG GLU A 15 -18.046 -11.554 -12.529 1.00 55.15 C ATOM 229 CD GLU A 15 -18.421 -10.281 -13.263 1.00 24.20 C ATOM 230 OE1 GLU A 15 -18.336 -9.196 -12.652 1.00 1.53 O ATOM 231 OE2 GLU A 15 -18.798 -10.372 -14.450 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.524 -9.788 -9.111 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.651 -10.311 -10.958 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -16.934 -10.602 -10.970 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.413 -12.248 -10.607 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.170 -11.998 -13.003 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -18.858 -12.275 -12.622 1.00 55.15 H new ATOM 238 N LYS A 16 -20.854 -12.289 -10.095 1.00 54.02 N ATOM 239 CA LYS A 16 -21.644 -13.380 -9.535 1.00 15.32 C ATOM 240 C LYS A 16 -21.140 -14.729 -10.037 1.00 60.10 C ATOM 241 O LYS A 16 -20.474 -14.810 -11.068 1.00 20.10 O ATOM 242 CB LYS A 16 -23.120 -13.208 -9.900 1.00 20.41 C ATOM 243 CG LYS A 16 -24.073 -13.794 -8.873 1.00 32.52 C ATOM 244 CD LYS A 16 -23.961 -13.079 -7.537 1.00 20.11 C ATOM 245 CE LYS A 16 -25.059 -13.515 -6.578 1.00 73.12 C ATOM 246 NZ LYS A 16 -26.354 -12.843 -6.874 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.284 -11.824 -10.894 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.538 -13.352 -8.450 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.335 -12.146 -10.018 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.304 -13.680 -10.865 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -25.096 -13.721 -9.241 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.858 -14.854 -8.739 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -22.987 -13.284 -7.094 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.020 -12.002 -7.693 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -25.188 -14.596 -6.641 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -24.758 -13.289 -5.555 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -27.076 -13.167 -6.199 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -26.238 -11.813 -6.789 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -26.654 -13.079 -7.841 1.00 30.23 H new ATOM 260 N GLY A 17 -21.464 -15.789 -9.301 1.00 53.14 N ATOM 261 CA GLY A 17 -21.037 -17.120 -9.688 1.00 1.24 C ATOM 262 C GLY A 17 -19.529 -17.275 -9.665 1.00 24.31 C ATOM 263 O GLY A 17 -18.976 -18.127 -10.360 1.00 30.33 O ATOM 0 H GLY A 17 -22.015 -15.748 -8.443 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.485 -17.852 -9.015 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.406 -17.340 -10.690 1.00 1.24 H new ATOM 267 N ILE A 18 -18.864 -16.448 -8.867 1.00 51.44 N ATOM 268 CA ILE A 18 -17.411 -16.497 -8.758 1.00 32.50 C ATOM 269 C ILE A 18 -16.959 -16.256 -7.320 1.00 3.32 C ATOM 270 O ILE A 18 -17.443 -15.342 -6.653 1.00 25.41 O ATOM 271 CB ILE A 18 -16.742 -15.456 -9.675 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.242 -15.615 -11.112 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.228 -15.595 -9.617 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.794 -14.502 -12.035 1.00 3.12 C ATOM 0 H ILE A 18 -19.307 -15.736 -8.286 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.105 -17.495 -9.071 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.010 -14.459 -9.325 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -16.890 -16.568 -11.507 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.331 -15.655 -11.107 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.769 -14.853 -10.270 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.887 -15.438 -8.594 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.941 -16.594 -9.946 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.185 -14.680 -13.037 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.169 -13.548 -11.664 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.705 -14.475 -12.070 1.00 3.12 H new ATOM 286 N SER A 19 -16.028 -17.081 -6.853 1.00 72.20 N ATOM 287 CA SER A 19 -15.513 -16.959 -5.495 1.00 5.03 C ATOM 288 C SER A 19 -14.053 -16.516 -5.505 1.00 10.11 C ATOM 289 O SER A 19 -13.187 -17.204 -6.047 1.00 55.41 O ATOM 290 CB SER A 19 -15.647 -18.291 -4.753 1.00 70.31 C ATOM 291 OG SER A 19 -16.898 -18.383 -4.093 1.00 12.11 O ATOM 0 H SER A 19 -15.615 -17.840 -7.395 1.00 72.20 H new ATOM 0 HA SER A 19 -16.102 -16.202 -4.977 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.543 -19.116 -5.458 1.00 70.31 H new ATOM 0 HB3 SER A 19 -14.841 -18.389 -4.026 1.00 70.31 H new ATOM 0 HG SER A 19 -16.960 -19.243 -3.628 1.00 12.11 H new ATOM 297 N LYS A 20 -13.787 -15.361 -4.904 1.00 21.45 N ATOM 298 CA LYS A 20 -12.433 -14.823 -4.842 1.00 74.43 C ATOM 299 C LYS A 20 -11.558 -15.658 -3.911 1.00 44.01 C ATOM 300 O LYS A 20 -10.332 -15.610 -3.992 1.00 62.25 O ATOM 301 CB LYS A 20 -12.461 -13.370 -4.366 1.00 25.14 C ATOM 302 CG LYS A 20 -13.151 -13.181 -3.025 1.00 31.04 C ATOM 303 CD LYS A 20 -12.520 -12.055 -2.226 1.00 45.33 C ATOM 304 CE LYS A 20 -12.707 -10.710 -2.911 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.889 -9.607 -1.929 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.492 -14.779 -4.452 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.007 -14.862 -5.844 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.438 -13.001 -4.294 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.968 -12.761 -5.115 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.207 -12.966 -3.186 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.097 -14.108 -2.454 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.963 -12.022 -1.231 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.456 -12.253 -2.095 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.841 -10.498 -3.538 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.574 -10.756 -3.570 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.596 -8.707 -2.360 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.890 -9.549 -1.654 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.308 -9.793 -1.086 1.00 24.23 H new ATOM 319 N GLU A 21 -12.199 -16.422 -3.032 1.00 64.52 N ATOM 320 CA GLU A 21 -11.478 -17.267 -2.088 1.00 11.33 C ATOM 321 C GLU A 21 -10.493 -18.179 -2.815 1.00 34.03 C ATOM 322 O GLU A 21 -9.394 -18.438 -2.326 1.00 42.53 O ATOM 323 CB GLU A 21 -12.459 -18.108 -1.269 1.00 34.13 C ATOM 324 CG GLU A 21 -13.359 -17.284 -0.362 1.00 74.01 C ATOM 325 CD GLU A 21 -14.120 -18.136 0.634 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.678 -19.273 0.902 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.157 -17.665 1.147 1.00 12.41 O ATOM 0 H GLU A 21 -13.215 -16.473 -2.954 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.917 -16.618 -1.415 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.079 -18.692 -1.949 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.897 -18.817 -0.662 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.755 -16.554 0.177 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.068 -16.724 -0.972 1.00 74.01 H new ATOM 334 N ILE A 22 -10.898 -18.662 -3.985 1.00 11.12 N ATOM 335 CA ILE A 22 -10.052 -19.544 -4.780 1.00 52.11 C ATOM 336 C ILE A 22 -8.977 -18.755 -5.519 1.00 5.14 C ATOM 337 O ILE A 22 -7.912 -19.285 -5.838 1.00 62.02 O ATOM 338 CB ILE A 22 -10.879 -20.346 -5.802 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.965 -21.154 -5.090 1.00 11.11 C ATOM 340 CG2 ILE A 22 -9.975 -21.262 -6.613 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.303 -20.451 -5.033 1.00 40.42 C ATOM 0 H ILE A 22 -11.806 -18.458 -4.403 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.577 -20.237 -4.085 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.362 -19.647 -6.485 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.088 -22.110 -5.599 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.636 -21.374 -4.074 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.574 -21.822 -7.331 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.235 -20.664 -7.146 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.467 -21.957 -5.944 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.024 -21.083 -4.514 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.196 -19.508 -4.498 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.655 -20.255 -6.046 1.00 40.42 H new ATOM 353 N ILE A 23 -9.262 -17.486 -5.788 1.00 13.43 N ATOM 354 CA ILE A 23 -8.318 -16.622 -6.487 1.00 72.34 C ATOM 355 C ILE A 23 -7.032 -16.453 -5.687 1.00 55.40 C ATOM 356 O ILE A 23 -5.934 -16.484 -6.244 1.00 31.34 O ATOM 357 CB ILE A 23 -8.925 -15.233 -6.765 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.192 -15.366 -7.610 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.908 -14.342 -7.462 1.00 41.41 C ATOM 360 CD1 ILE A 23 -9.937 -15.891 -9.006 1.00 34.01 C ATOM 0 H ILE A 23 -10.139 -17.033 -5.533 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.090 -17.106 -7.437 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.192 -14.772 -5.814 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.889 -16.032 -7.102 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.676 -14.392 -7.680 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.351 -13.364 -7.652 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.030 -14.226 -6.826 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.613 -14.797 -8.408 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.881 -15.959 -9.547 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.265 -15.213 -9.532 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.481 -16.879 -8.945 1.00 34.01 H new ATOM 372 N ILE A 24 -7.175 -16.273 -4.378 1.00 51.31 N ATOM 373 CA ILE A 24 -6.023 -16.101 -3.501 1.00 74.21 C ATOM 374 C ILE A 24 -5.011 -17.224 -3.697 1.00 44.54 C ATOM 375 O ILE A 24 -3.812 -16.977 -3.822 1.00 32.23 O ATOM 376 CB ILE A 24 -6.446 -16.058 -2.020 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.322 -14.832 -1.753 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.219 -16.045 -1.120 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.788 -15.165 -1.580 1.00 31.23 C ATOM 0 H ILE A 24 -8.076 -16.242 -3.902 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.562 -15.150 -3.767 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.028 -16.952 -1.797 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.964 -14.327 -0.856 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.212 -14.130 -2.579 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.533 -16.015 -0.077 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.630 -16.945 -1.295 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.614 -15.166 -1.342 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.350 -14.250 -1.394 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.162 -15.642 -2.486 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.910 -15.843 -0.736 1.00 31.23 H new ATOM 391 N GLU A 25 -5.502 -18.459 -3.723 1.00 72.53 N ATOM 392 CA GLU A 25 -4.639 -19.620 -3.905 1.00 43.13 C ATOM 393 C GLU A 25 -3.959 -19.584 -5.270 1.00 2.50 C ATOM 394 O GLU A 25 -2.861 -20.112 -5.443 1.00 34.42 O ATOM 395 CB GLU A 25 -5.447 -20.911 -3.759 1.00 73.04 C ATOM 396 CG GLU A 25 -6.116 -21.061 -2.403 1.00 44.41 C ATOM 397 CD GLU A 25 -6.440 -22.504 -2.069 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.843 -23.249 -2.987 1.00 32.20 O ATOM 399 OE2 GLU A 25 -6.292 -22.888 -0.890 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.492 -18.681 -3.620 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.869 -19.593 -3.134 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.210 -20.942 -4.537 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.788 -21.763 -3.926 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.463 -20.651 -1.632 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.034 -20.474 -2.388 1.00 44.41 H new ATOM 406 N ALA A 26 -4.621 -18.958 -6.238 1.00 1.41 N ATOM 407 CA ALA A 26 -4.081 -18.851 -7.588 1.00 44.13 C ATOM 408 C ALA A 26 -2.787 -18.042 -7.600 1.00 13.13 C ATOM 409 O ALA A 26 -1.775 -18.481 -8.146 1.00 24.00 O ATOM 410 CB ALA A 26 -5.107 -18.223 -8.519 1.00 14.40 C ATOM 0 H ALA A 26 -5.532 -18.517 -6.112 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.853 -19.856 -7.942 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.690 -18.149 -9.523 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.004 -18.842 -8.543 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.363 -17.227 -8.159 1.00 14.40 H new ATOM 416 N ILE A 27 -2.830 -16.860 -6.995 1.00 44.10 N ATOM 417 CA ILE A 27 -1.662 -15.991 -6.937 1.00 13.45 C ATOM 418 C ILE A 27 -0.476 -16.705 -6.295 1.00 13.44 C ATOM 419 O ILE A 27 0.657 -16.584 -6.759 1.00 54.42 O ATOM 420 CB ILE A 27 -1.958 -14.702 -6.146 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.007 -13.860 -6.875 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.680 -13.901 -5.940 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.407 -14.032 -6.327 1.00 74.33 C ATOM 0 H ILE A 27 -3.660 -16.483 -6.539 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.413 -15.729 -7.965 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.354 -14.977 -5.168 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.727 -12.809 -6.810 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.004 -14.126 -7.932 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.906 -12.994 -5.380 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.040 -14.501 -5.384 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.258 -13.634 -6.909 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.098 -13.406 -6.891 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.707 -15.076 -6.417 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.426 -13.738 -5.277 1.00 74.33 H new ATOM 435 N GLU A 28 -0.748 -17.451 -5.229 1.00 54.21 N ATOM 436 CA GLU A 28 0.296 -18.185 -4.525 1.00 54.51 C ATOM 437 C GLU A 28 1.002 -19.160 -5.464 1.00 43.41 C ATOM 438 O GLU A 28 2.228 -19.155 -5.573 1.00 43.02 O ATOM 439 CB GLU A 28 -0.295 -18.944 -3.336 1.00 64.12 C ATOM 440 CG GLU A 28 -1.027 -18.052 -2.347 1.00 40.22 C ATOM 441 CD GLU A 28 -2.089 -18.798 -1.563 1.00 51.43 C ATOM 442 OE1 GLU A 28 -2.092 -20.046 -1.607 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.919 -18.134 -0.907 1.00 63.03 O ATOM 0 H GLU A 28 -1.682 -17.563 -4.834 1.00 54.21 H new ATOM 0 HA GLU A 28 1.027 -17.464 -4.159 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -0.984 -19.703 -3.707 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.507 -19.468 -2.815 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.307 -17.618 -1.654 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.491 -17.225 -2.884 1.00 40.22 H new ATOM 450 N ALA A 29 0.219 -19.994 -6.139 1.00 30.04 N ATOM 451 CA ALA A 29 0.768 -20.973 -7.069 1.00 12.54 C ATOM 452 C ALA A 29 1.665 -20.304 -8.105 1.00 13.03 C ATOM 453 O ALA A 29 2.620 -20.906 -8.594 1.00 61.31 O ATOM 454 CB ALA A 29 -0.356 -21.736 -7.756 1.00 31.13 C ATOM 0 H ALA A 29 -0.798 -20.012 -6.059 1.00 30.04 H new ATOM 0 HA ALA A 29 1.376 -21.676 -6.500 1.00 12.54 H new ATOM 0 HB1 ALA A 29 0.068 -22.464 -8.448 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -0.955 -22.254 -7.007 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -0.987 -21.038 -8.306 1.00 31.13 H new ATOM 460 N ALA A 30 1.351 -19.056 -8.434 1.00 53.23 N ATOM 461 CA ALA A 30 2.130 -18.304 -9.411 1.00 23.45 C ATOM 462 C ALA A 30 3.457 -17.845 -8.818 1.00 61.02 C ATOM 463 O ALA A 30 4.521 -18.075 -9.397 1.00 51.44 O ATOM 464 CB ALA A 30 1.334 -17.110 -9.915 1.00 32.41 C ATOM 0 H ALA A 30 0.563 -18.544 -8.039 1.00 53.23 H new ATOM 0 HA ALA A 30 2.346 -18.963 -10.252 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.928 -16.558 -10.643 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.414 -17.458 -10.386 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.088 -16.457 -9.078 1.00 32.41 H new ATOM 470 N LEU A 31 3.390 -17.196 -7.661 1.00 5.35 N ATOM 471 CA LEU A 31 4.589 -16.704 -6.990 1.00 1.23 C ATOM 472 C LEU A 31 5.564 -17.842 -6.712 1.00 21.11 C ATOM 473 O LEU A 31 6.746 -17.757 -7.049 1.00 34.51 O ATOM 474 CB LEU A 31 4.213 -16.007 -5.680 1.00 45.33 C ATOM 475 CG LEU A 31 3.898 -14.515 -5.779 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.100 -13.750 -6.313 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.682 -14.283 -6.664 1.00 43.31 C ATOM 0 H LEU A 31 2.519 -16.998 -7.168 1.00 5.35 H new ATOM 0 HA LEU A 31 5.077 -15.987 -7.650 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.345 -16.514 -5.259 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.033 -16.139 -4.974 1.00 45.33 H new ATOM 0 HG LEU A 31 3.671 -14.145 -4.779 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.857 -12.689 -6.377 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.947 -13.889 -5.641 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.358 -14.123 -7.304 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.473 -13.215 -6.722 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.881 -14.669 -7.664 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.820 -14.799 -6.241 1.00 43.31 H new ATOM 489 N ILE A 32 5.062 -18.908 -6.098 1.00 24.45 N ATOM 490 CA ILE A 32 5.889 -20.065 -5.778 1.00 71.03 C ATOM 491 C ILE A 32 6.495 -20.672 -7.039 1.00 24.23 C ATOM 492 O ILE A 32 7.659 -21.075 -7.048 1.00 63.05 O ATOM 493 CB ILE A 32 5.080 -21.148 -5.039 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.957 -22.371 -4.763 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.854 -21.540 -5.850 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.512 -23.175 -3.561 1.00 4.22 C ATOM 0 H ILE A 32 4.087 -18.995 -5.812 1.00 24.45 H new ATOM 0 HA ILE A 32 6.688 -19.712 -5.126 1.00 71.03 H new ATOM 0 HB ILE A 32 4.745 -20.742 -4.085 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.955 -23.015 -5.642 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.985 -22.044 -4.610 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.293 -22.306 -5.314 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.222 -20.665 -5.999 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.168 -21.930 -6.818 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.179 -24.026 -3.425 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.541 -22.546 -2.671 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.495 -23.533 -3.719 1.00 4.22 H new ATOM 508 N SER A 33 5.700 -20.733 -8.102 1.00 23.51 N ATOM 509 CA SER A 33 6.158 -21.293 -9.368 1.00 62.33 C ATOM 510 C SER A 33 7.249 -20.422 -9.983 1.00 1.44 C ATOM 511 O SER A 33 8.294 -20.920 -10.402 1.00 2.10 O ATOM 512 CB SER A 33 4.987 -21.428 -10.343 1.00 3.21 C ATOM 513 OG SER A 33 5.444 -21.505 -11.682 1.00 24.42 O ATOM 0 H SER A 33 4.735 -20.402 -8.112 1.00 23.51 H new ATOM 0 HA SER A 33 6.574 -22.281 -9.172 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.409 -22.320 -10.101 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.318 -20.575 -10.232 1.00 3.21 H new ATOM 0 HG SER A 33 4.677 -21.592 -12.285 1.00 24.42 H new ATOM 519 N ALA A 34 6.998 -19.117 -10.035 1.00 22.53 N ATOM 520 CA ALA A 34 7.958 -18.177 -10.598 1.00 1.34 C ATOM 521 C ALA A 34 9.329 -18.337 -9.949 1.00 52.14 C ATOM 522 O ALA A 34 10.353 -18.358 -10.633 1.00 62.24 O ATOM 523 CB ALA A 34 7.458 -16.749 -10.432 1.00 23.24 C ATOM 0 H ALA A 34 6.138 -18.688 -9.694 1.00 22.53 H new ATOM 0 HA ALA A 34 8.060 -18.394 -11.661 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.185 -16.057 -10.857 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.504 -16.635 -10.948 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.326 -16.531 -9.372 1.00 23.24 H new ATOM 529 N TYR A 35 9.342 -18.451 -8.625 1.00 60.44 N ATOM 530 CA TYR A 35 10.587 -18.606 -7.883 1.00 42.44 C ATOM 531 C TYR A 35 11.110 -20.035 -7.991 1.00 40.45 C ATOM 532 O TYR A 35 12.306 -20.286 -7.841 1.00 13.24 O ATOM 533 CB TYR A 35 10.380 -18.236 -6.414 1.00 14.41 C ATOM 534 CG TYR A 35 11.575 -18.541 -5.538 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.730 -19.791 -4.953 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.547 -17.578 -5.296 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.820 -20.074 -4.152 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.640 -17.852 -4.498 1.00 13.02 C ATOM 539 CZ TYR A 35 13.773 -19.102 -3.928 1.00 1.20 C ATOM 540 OH TYR A 35 14.859 -19.379 -3.131 1.00 72.42 O ATOM 0 H TYR A 35 8.504 -18.439 -8.044 1.00 60.44 H new ATOM 0 HA TYR A 35 11.326 -17.934 -8.318 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.151 -17.173 -6.345 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.513 -18.774 -6.031 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.986 -20.555 -5.127 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.446 -16.599 -5.740 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.925 -21.051 -3.704 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.387 -17.092 -4.321 1.00 13.02 H new ATOM 0 HH TYR A 35 15.435 -18.588 -3.076 1.00 72.42 H new ATOM 550 N LYS A 36 10.204 -20.972 -8.252 1.00 5.13 N ATOM 551 CA LYS A 36 10.571 -22.377 -8.382 1.00 11.15 C ATOM 552 C LYS A 36 11.448 -22.599 -9.610 1.00 32.14 C ATOM 553 O LYS A 36 12.345 -23.442 -9.600 1.00 62.43 O ATOM 554 CB LYS A 36 9.315 -23.246 -8.475 1.00 64.34 C ATOM 555 CG LYS A 36 9.608 -24.737 -8.505 1.00 20.30 C ATOM 556 CD LYS A 36 8.472 -25.541 -7.895 1.00 1.42 C ATOM 557 CE LYS A 36 8.507 -25.489 -6.374 1.00 45.53 C ATOM 558 NZ LYS A 36 9.135 -26.707 -5.792 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.210 -20.783 -8.378 1.00 5.13 H new ATOM 0 HA LYS A 36 11.138 -22.662 -7.496 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.669 -23.028 -7.625 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.761 -22.975 -9.374 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.769 -25.056 -9.535 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.531 -24.938 -7.961 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.518 -25.153 -8.252 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.539 -26.577 -8.227 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.061 -24.606 -6.053 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.492 -25.385 -5.991 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 9.140 -26.633 -4.755 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.592 -27.547 -6.077 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 10.112 -26.793 -6.137 1.00 21.13 H new ATOM 572 N ARG A 37 11.183 -21.837 -10.667 1.00 74.25 N ATOM 573 CA ARG A 37 11.948 -21.951 -11.902 1.00 53.51 C ATOM 574 C ARG A 37 13.436 -21.740 -11.642 1.00 13.30 C ATOM 575 O ARG A 37 14.283 -22.203 -12.404 1.00 74.35 O ATOM 576 CB ARG A 37 11.451 -20.934 -12.931 1.00 25.33 C ATOM 577 CG ARG A 37 10.239 -21.407 -13.718 1.00 1.44 C ATOM 578 CD ARG A 37 10.649 -22.132 -14.991 1.00 4.13 C ATOM 579 NE ARG A 37 11.313 -21.240 -15.938 1.00 22.22 N ATOM 580 CZ ARG A 37 11.756 -21.631 -17.128 1.00 71.43 C ATOM 581 NH1 ARG A 37 11.607 -22.891 -17.513 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 12.349 -20.761 -17.935 1.00 43.33 N ATOM 0 H ARG A 37 10.444 -21.134 -10.692 1.00 74.25 H new ATOM 0 HA ARG A 37 11.804 -22.957 -12.296 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.201 -20.004 -12.419 1.00 25.33 H new ATOM 0 HB3 ARG A 37 12.260 -20.708 -13.626 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.638 -22.071 -13.097 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.612 -20.552 -13.971 1.00 1.44 H new ATOM 0 HD2 ARG A 37 11.317 -22.956 -14.740 1.00 4.13 H new ATOM 0 HD3 ARG A 37 9.767 -22.568 -15.460 1.00 4.13 H new ATOM 0 HE ARG A 37 11.444 -20.264 -15.671 1.00 22.22 H new ATOM 0 HH11 ARG A 37 11.151 -23.563 -16.895 1.00 64.15 H new ATOM 0 HH12 ARG A 37 11.948 -23.189 -18.427 1.00 64.15 H new ATOM 0 HH21 ARG A 37 12.465 -19.791 -17.642 1.00 43.33 H new ATOM 0 HH22 ARG A 37 12.689 -21.062 -18.848 1.00 43.33 H new ATOM 596 N ASN A 38 13.748 -21.035 -10.558 1.00 64.14 N ATOM 597 CA ASN A 38 15.134 -20.761 -10.196 1.00 2.44 C ATOM 598 C ASN A 38 15.804 -22.008 -9.627 1.00 62.25 C ATOM 599 O ASN A 38 16.895 -22.389 -10.052 1.00 62.41 O ATOM 600 CB ASN A 38 15.202 -19.622 -9.178 1.00 14.03 C ATOM 601 CG ASN A 38 14.905 -18.271 -9.801 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.791 -17.425 -9.928 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.654 -18.063 -10.194 1.00 43.51 N ATOM 0 H ASN A 38 13.059 -20.643 -9.916 1.00 64.14 H new ATOM 0 HA ASN A 38 15.667 -20.464 -11.099 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.490 -19.813 -8.375 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.194 -19.601 -8.726 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.395 -17.174 -10.621 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.952 -18.793 -10.069 1.00 43.51 H new ATOM 610 N PHE A 39 15.144 -22.640 -8.662 1.00 74.50 N ATOM 611 CA PHE A 39 15.675 -23.844 -8.033 1.00 13.22 C ATOM 612 C PHE A 39 14.582 -24.894 -7.858 1.00 13.23 C ATOM 613 O PHE A 39 14.176 -25.201 -6.738 1.00 12.23 O ATOM 614 CB PHE A 39 16.294 -23.505 -6.676 1.00 22.33 C ATOM 615 CG PHE A 39 17.566 -22.713 -6.780 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.699 -23.266 -7.353 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.630 -21.414 -6.301 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.871 -22.540 -7.450 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.799 -20.682 -6.396 1.00 73.20 C ATOM 620 CZ PHE A 39 19.921 -21.247 -6.970 1.00 41.30 C ATOM 0 H PHE A 39 14.240 -22.338 -8.298 1.00 74.50 H new ATOM 0 HA PHE A 39 16.447 -24.254 -8.685 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.571 -22.941 -6.086 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.494 -24.430 -6.135 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.666 -24.278 -7.729 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.757 -20.968 -5.848 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.746 -22.984 -7.901 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.835 -19.670 -6.022 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.836 -20.678 -7.043 1.00 41.30 H new ATOM 630 N ASN A 40 14.109 -25.439 -8.973 1.00 5.11 N ATOM 631 CA ASN A 40 13.061 -26.454 -8.944 1.00 31.44 C ATOM 632 C ASN A 40 13.627 -27.807 -8.526 1.00 13.21 C ATOM 633 O ASN A 40 13.127 -28.438 -7.595 1.00 10.21 O ATOM 634 CB ASN A 40 12.395 -26.569 -10.316 1.00 21.11 C ATOM 635 CG ASN A 40 13.406 -26.647 -11.445 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.826 -27.733 -11.843 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.800 -25.491 -11.967 1.00 33.42 N ATOM 0 H ASN A 40 14.434 -25.195 -9.909 1.00 5.11 H new ATOM 0 HA ASN A 40 12.315 -26.149 -8.210 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.762 -27.456 -10.337 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.744 -25.709 -10.474 1.00 21.11 H new ATOM 0 HD21 ASN A 40 14.477 -25.480 -12.729 1.00 33.42 H new ATOM 0 HD22 ASN A 40 13.425 -24.614 -11.605 1.00 33.42 H new ATOM 644 N GLN A 41 14.672 -28.246 -9.221 1.00 42.41 N ATOM 645 CA GLN A 41 15.306 -29.525 -8.921 1.00 32.21 C ATOM 646 C GLN A 41 16.412 -29.354 -7.885 1.00 10.23 C ATOM 647 O GLN A 41 17.187 -30.276 -7.634 1.00 2.54 O ATOM 648 CB GLN A 41 15.876 -30.146 -10.197 1.00 24.30 C ATOM 649 CG GLN A 41 16.895 -29.264 -10.901 1.00 23.03 C ATOM 650 CD GLN A 41 17.558 -29.960 -12.073 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.886 -30.530 -12.933 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.884 -29.916 -12.113 1.00 53.52 N ATOM 0 H GLN A 41 15.097 -27.735 -9.995 1.00 42.41 H new ATOM 0 HA GLN A 41 14.548 -30.191 -8.509 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.343 -31.100 -9.950 1.00 24.30 H new ATOM 0 HB3 GLN A 41 15.057 -30.360 -10.884 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.403 -28.357 -11.253 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.659 -28.956 -10.187 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.401 -29.432 -11.379 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.386 -30.366 -12.878 1.00 53.52 H new ATOM 661 N ALA A 42 16.479 -28.169 -7.287 1.00 53.10 N ATOM 662 CA ALA A 42 17.490 -27.879 -6.278 1.00 45.11 C ATOM 663 C ALA A 42 16.917 -28.022 -4.871 1.00 30.22 C ATOM 664 O ALA A 42 17.605 -28.470 -3.955 1.00 53.42 O ATOM 665 CB ALA A 42 18.052 -26.481 -6.481 1.00 52.01 C ATOM 0 H ALA A 42 15.845 -27.395 -7.484 1.00 53.10 H new ATOM 0 HA ALA A 42 18.298 -28.603 -6.389 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.806 -26.278 -5.720 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.506 -26.411 -7.470 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.248 -25.750 -6.399 1.00 52.01 H new ATOM 671 N GLN A 43 15.656 -27.637 -4.709 1.00 44.33 N ATOM 672 CA GLN A 43 14.992 -27.721 -3.413 1.00 63.21 C ATOM 673 C GLN A 43 13.534 -27.286 -3.519 1.00 62.24 C ATOM 674 O GLN A 43 13.163 -26.539 -4.423 1.00 74.55 O ATOM 675 CB GLN A 43 15.723 -26.855 -2.385 1.00 72.12 C ATOM 676 CG GLN A 43 15.677 -27.417 -0.973 1.00 43.55 C ATOM 677 CD GLN A 43 16.009 -26.378 0.079 1.00 74.41 C ATOM 678 OE1 GLN A 43 14.985 -25.864 0.748 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.175 -26.041 0.289 1.00 50.05 N flip ATOM 0 H GLN A 43 15.073 -27.264 -5.458 1.00 44.33 H new ATOM 0 HA GLN A 43 15.018 -28.760 -3.086 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.764 -26.745 -2.690 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.284 -25.857 -2.385 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.683 -27.821 -0.779 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.379 -28.247 -0.893 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.932 -26.462 -0.249 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.383 -25.341 1.001 1.00 50.05 H new ATOM 688 N ASN A 44 12.712 -27.757 -2.587 1.00 61.24 N ATOM 689 CA ASN A 44 11.294 -27.417 -2.575 1.00 5.03 C ATOM 690 C ASN A 44 11.066 -26.061 -1.916 1.00 45.14 C ATOM 691 O ASN A 44 12.011 -25.395 -1.496 1.00 15.42 O ATOM 692 CB ASN A 44 10.495 -28.495 -1.840 1.00 2.54 C ATOM 693 CG ASN A 44 10.896 -28.620 -0.383 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.931 -28.099 0.034 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.077 -29.312 0.399 1.00 2.43 N ATOM 0 H ASN A 44 13.004 -28.375 -1.830 1.00 61.24 H new ATOM 0 HA ASN A 44 10.951 -27.362 -3.608 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.432 -28.262 -1.903 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.641 -29.454 -2.338 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.295 -29.429 1.389 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.230 -29.727 0.010 1.00 2.43 H new ATOM 702 N VAL A 45 9.802 -25.657 -1.829 1.00 44.30 N ATOM 703 CA VAL A 45 9.447 -24.381 -1.219 1.00 71.11 C ATOM 704 C VAL A 45 7.935 -24.223 -1.114 1.00 24.13 C ATOM 705 O VAL A 45 7.183 -24.829 -1.877 1.00 24.45 O ATOM 706 CB VAL A 45 10.022 -23.197 -2.020 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.313 -23.064 -3.359 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.913 -21.909 -1.219 1.00 21.34 C ATOM 0 H VAL A 45 9.007 -26.195 -2.173 1.00 44.30 H new ATOM 0 HA VAL A 45 9.879 -24.378 -0.218 1.00 71.11 H new ATOM 0 HB VAL A 45 11.077 -23.389 -2.213 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.732 -22.223 -3.911 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.449 -23.979 -3.935 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.249 -22.894 -3.192 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.324 -21.083 -1.800 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.866 -21.708 -0.994 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.471 -22.011 -0.288 1.00 21.34 H new ATOM 718 N ARG A 46 7.496 -23.403 -0.164 1.00 33.25 N ATOM 719 CA ARG A 46 6.071 -23.166 0.041 1.00 13.25 C ATOM 720 C ARG A 46 5.796 -21.684 0.273 1.00 35.22 C ATOM 721 O ARG A 46 6.222 -21.112 1.277 1.00 45.34 O ATOM 722 CB ARG A 46 5.563 -23.982 1.231 1.00 60.23 C ATOM 723 CG ARG A 46 5.932 -25.456 1.161 1.00 34.50 C ATOM 724 CD ARG A 46 5.115 -26.185 0.106 1.00 54.54 C ATOM 725 NE ARG A 46 3.815 -26.611 0.620 1.00 74.02 N ATOM 726 CZ ARG A 46 2.878 -27.176 -0.133 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.094 -27.382 -1.425 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.721 -27.536 0.406 1.00 42.44 N ATOM 0 H ARG A 46 8.105 -22.892 0.475 1.00 33.25 H new ATOM 0 HA ARG A 46 5.542 -23.480 -0.859 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.967 -23.558 2.150 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.478 -23.890 1.287 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.993 -25.556 0.934 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.769 -25.920 2.134 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.969 -25.532 -0.755 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.669 -27.055 -0.245 1.00 54.54 H new ATOM 0 HE ARG A 46 3.617 -26.467 1.610 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.982 -27.106 -1.844 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.372 -27.816 -2.000 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.550 -27.379 1.399 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.002 -27.970 -0.173 1.00 42.44 H new ATOM 742 N VAL A 47 5.081 -21.066 -0.662 1.00 13.15 N ATOM 743 CA VAL A 47 4.749 -19.650 -0.560 1.00 40.55 C ATOM 744 C VAL A 47 3.379 -19.453 0.082 1.00 21.11 C ATOM 745 O VAL A 47 2.450 -20.223 -0.165 1.00 40.40 O ATOM 746 CB VAL A 47 4.758 -18.970 -1.942 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.378 -17.502 -1.817 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.122 -19.122 -2.600 1.00 3.11 C ATOM 0 H VAL A 47 4.721 -21.524 -1.499 1.00 13.15 H new ATOM 0 HA VAL A 47 5.512 -19.190 0.068 1.00 40.55 H new ATOM 0 HB VAL A 47 4.017 -19.460 -2.574 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.390 -17.038 -2.803 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.379 -17.420 -1.389 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.093 -16.995 -1.169 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.111 -18.636 -3.576 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.883 -18.658 -1.972 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.350 -20.181 -2.724 1.00 3.11 H new ATOM 758 N ASP A 48 3.262 -18.417 0.904 1.00 31.11 N ATOM 759 CA ASP A 48 2.006 -18.117 1.581 1.00 72.44 C ATOM 760 C ASP A 48 1.592 -16.667 1.342 1.00 70.23 C ATOM 761 O ASP A 48 2.239 -15.738 1.828 1.00 21.40 O ATOM 762 CB ASP A 48 2.133 -18.383 3.081 1.00 33.25 C ATOM 763 CG ASP A 48 1.364 -19.614 3.518 1.00 71.03 C ATOM 764 OD1 ASP A 48 1.387 -20.621 2.781 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.737 -19.571 4.599 1.00 32.52 O1- ATOM 0 H ASP A 48 4.021 -17.771 1.118 1.00 31.11 H new ATOM 0 HA ASP A 48 1.236 -18.769 1.169 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.185 -18.506 3.337 1.00 33.25 H new ATOM 0 HB3 ASP A 48 1.769 -17.516 3.633 1.00 33.25 H new ATOM 770 N LEU A 49 0.513 -16.481 0.591 1.00 24.33 N ATOM 771 CA LEU A 49 0.014 -15.145 0.287 1.00 74.30 C ATOM 772 C LEU A 49 -0.992 -14.687 1.337 1.00 41.23 C ATOM 773 O LEU A 49 -1.866 -15.449 1.748 1.00 13.24 O ATOM 774 CB LEU A 49 -0.634 -15.125 -1.099 1.00 25.14 C ATOM 775 CG LEU A 49 -1.127 -13.763 -1.589 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.340 -13.319 -2.813 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.615 -13.815 -1.902 1.00 21.20 C ATOM 0 H LEU A 49 -0.033 -17.239 0.181 1.00 24.33 H new ATOM 0 HA LEU A 49 0.860 -14.457 0.297 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.087 -15.509 -1.821 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.478 -15.814 -1.093 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.968 -13.034 -0.795 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.705 -12.348 -3.148 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.717 -13.241 -2.558 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.467 -14.049 -3.612 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.948 -12.837 -2.249 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.798 -14.557 -2.679 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.167 -14.088 -1.002 1.00 21.20 H new ATOM 789 N ASN A 50 -0.864 -13.436 1.767 1.00 2.14 N ATOM 790 CA ASN A 50 -1.763 -12.874 2.768 1.00 51.24 C ATOM 791 C ASN A 50 -2.625 -11.768 2.168 1.00 73.32 C ATOM 792 O ASN A 50 -2.174 -10.634 2.009 1.00 30.13 O ATOM 793 CB ASN A 50 -0.963 -12.328 3.953 1.00 23.52 C ATOM 794 CG ASN A 50 -0.530 -13.420 4.912 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.480 -14.596 4.550 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.214 -13.035 6.143 1.00 44.50 N ATOM 0 H ASN A 50 -0.145 -12.792 1.437 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.420 -13.671 3.118 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.082 -11.804 3.582 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.567 -11.596 4.489 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.085 -13.725 6.832 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -0.270 -12.049 6.399 1.00 44.50 H new ATOM 803 N ARG A 51 -3.867 -12.107 1.836 1.00 0.13 N ATOM 804 CA ARG A 51 -4.791 -11.143 1.253 1.00 51.01 C ATOM 805 C ARG A 51 -5.198 -10.090 2.279 1.00 31.24 C ATOM 806 O ARG A 51 -5.801 -9.074 1.935 1.00 2.24 O ATOM 807 CB ARG A 51 -6.034 -11.856 0.718 1.00 21.12 C ATOM 808 CG ARG A 51 -6.795 -12.633 1.780 1.00 33.14 C ATOM 809 CD ARG A 51 -8.187 -13.014 1.301 1.00 3.53 C ATOM 810 NE ARG A 51 -9.168 -12.972 2.383 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.466 -13.198 2.208 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.935 -13.480 1.000 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -11.295 -13.142 3.241 1.00 73.32 N ATOM 0 H ARG A 51 -4.256 -13.042 1.961 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.283 -10.644 0.428 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.701 -11.119 0.271 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.736 -12.540 -0.077 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.240 -13.534 2.041 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.873 -12.032 2.686 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.495 -12.335 0.506 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.162 -14.016 0.873 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.839 -12.757 3.324 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.299 -13.524 0.204 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.931 -13.653 0.867 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.937 -12.925 4.171 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -12.291 -13.316 3.106 1.00 73.32 H new ATOM 827 N GLU A 52 -4.864 -10.340 3.542 1.00 34.15 N ATOM 828 CA GLU A 52 -5.196 -9.414 4.617 1.00 24.22 C ATOM 829 C GLU A 52 -4.366 -8.138 4.512 1.00 0.20 C ATOM 830 O GLU A 52 -4.874 -7.034 4.713 1.00 22.35 O ATOM 831 CB GLU A 52 -4.965 -10.074 5.979 1.00 52.12 C ATOM 832 CG GLU A 52 -3.551 -10.594 6.171 1.00 75.31 C ATOM 833 CD GLU A 52 -3.367 -11.309 7.496 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.720 -10.723 8.540 1.00 52.33 O1- ATOM 835 OE2 GLU A 52 -2.870 -12.454 7.487 1.00 11.41 O ATOM 0 H GLU A 52 -4.364 -11.176 3.845 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.250 -9.151 4.522 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.188 -9.353 6.765 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.666 -10.900 6.097 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.305 -11.276 5.357 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.850 -9.761 6.112 1.00 75.31 H new ATOM 842 N THR A 53 -3.084 -8.297 4.197 1.00 23.40 N ATOM 843 CA THR A 53 -2.182 -7.159 4.066 1.00 34.31 C ATOM 844 C THR A 53 -1.475 -7.170 2.716 1.00 54.44 C ATOM 845 O THR A 53 -0.466 -6.492 2.527 1.00 31.00 O ATOM 846 CB THR A 53 -1.126 -7.149 5.186 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.277 -8.296 5.070 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.789 -7.139 6.556 1.00 32.42 C ATOM 0 H THR A 53 -2.647 -9.203 4.028 1.00 23.40 H new ATOM 0 HA THR A 53 -2.793 -6.260 4.145 1.00 34.31 H new ATOM 0 HB THR A 53 -0.528 -6.243 5.083 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.393 -8.281 5.785 1.00 13.41 H new ATOM 0 HG21 THR A 53 -1.023 -7.132 7.331 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.411 -6.249 6.653 1.00 32.42 H new ATOM 0 HG23 THR A 53 -2.409 -8.029 6.667 1.00 32.42 H new ATOM 856 N GLY A 54 -2.012 -7.944 1.778 1.00 23.41 N ATOM 857 CA GLY A 54 -1.418 -8.029 0.456 1.00 44.31 C ATOM 858 C GLY A 54 0.061 -8.356 0.504 1.00 5.13 C ATOM 859 O GLY A 54 0.812 -8.004 -0.405 1.00 74.51 O ATOM 0 H GLY A 54 -2.848 -8.514 1.910 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.937 -8.793 -0.123 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.561 -7.082 -0.064 1.00 44.31 H new ATOM 863 N SER A 55 0.481 -9.031 1.569 1.00 33.40 N ATOM 864 CA SER A 55 1.882 -9.401 1.736 1.00 75.11 C ATOM 865 C SER A 55 2.126 -10.831 1.268 1.00 63.23 C ATOM 866 O SER A 55 1.185 -11.563 0.955 1.00 45.55 O ATOM 867 CB SER A 55 2.300 -9.253 3.200 1.00 55.25 C ATOM 868 OG SER A 55 3.532 -8.562 3.312 1.00 71.01 O ATOM 0 H SER A 55 -0.128 -9.333 2.329 1.00 33.40 H new ATOM 0 HA SER A 55 2.484 -8.729 1.124 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.527 -8.716 3.749 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.389 -10.238 3.657 1.00 55.25 H new ATOM 0 HG SER A 55 3.776 -8.479 4.258 1.00 71.01 H new ATOM 874 N ILE A 56 3.394 -11.225 1.221 1.00 3.53 N ATOM 875 CA ILE A 56 3.761 -12.568 0.792 1.00 74.13 C ATOM 876 C ILE A 56 5.047 -13.030 1.470 1.00 0.40 C ATOM 877 O ILE A 56 5.963 -12.238 1.691 1.00 42.33 O ATOM 878 CB ILE A 56 3.945 -12.641 -0.736 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.857 -14.091 -1.214 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.277 -12.025 -1.138 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.487 -14.478 -1.723 1.00 3.04 C ATOM 0 H ILE A 56 4.185 -10.633 1.475 1.00 3.53 H new ATOM 0 HA ILE A 56 2.943 -13.226 1.083 1.00 74.13 H new ATOM 0 HB ILE A 56 3.145 -12.073 -1.211 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.588 -14.248 -2.007 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.131 -14.753 -0.392 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.393 -12.084 -2.220 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.304 -10.981 -0.826 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.090 -12.569 -0.656 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.499 -15.519 -2.045 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.754 -14.353 -0.926 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.219 -13.841 -2.566 1.00 3.04 H new ATOM 893 N ARG A 57 5.109 -14.317 1.796 1.00 32.14 N ATOM 894 CA ARG A 57 6.282 -14.884 2.448 1.00 64.45 C ATOM 895 C ARG A 57 6.625 -16.249 1.859 1.00 32.01 C ATOM 896 O ARG A 57 5.768 -17.127 1.759 1.00 32.22 O ATOM 897 CB ARG A 57 6.043 -15.012 3.953 1.00 61.04 C ATOM 898 CG ARG A 57 5.953 -13.676 4.672 1.00 70.51 C ATOM 899 CD ARG A 57 7.297 -12.966 4.698 1.00 15.33 C ATOM 900 NE ARG A 57 7.234 -11.702 5.430 1.00 71.31 N ATOM 901 CZ ARG A 57 7.085 -11.622 6.747 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.983 -12.726 7.474 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.036 -10.436 7.339 1.00 34.43 N ATOM 0 H ARG A 57 4.360 -14.986 1.619 1.00 32.14 H new ATOM 0 HA ARG A 57 7.123 -14.212 2.276 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.120 -15.567 4.120 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.851 -15.597 4.392 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.216 -13.044 4.177 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.604 -13.834 5.692 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.041 -13.615 5.159 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.627 -12.777 3.677 1.00 15.33 H new ATOM 0 HE ARG A 57 7.309 -10.834 4.900 1.00 71.31 H new ATOM 0 HH11 ARG A 57 7.019 -13.640 7.022 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.869 -12.662 8.486 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.113 -9.585 6.782 1.00 34.43 H new ATOM 0 HH22 ARG A 57 6.921 -10.375 8.351 1.00 34.43 H new ATOM 917 N VAL A 58 7.885 -16.421 1.469 1.00 42.34 N ATOM 918 CA VAL A 58 8.341 -17.679 0.891 1.00 43.54 C ATOM 919 C VAL A 58 9.244 -18.434 1.860 1.00 10.15 C ATOM 920 O VAL A 58 10.309 -17.947 2.242 1.00 73.04 O ATOM 921 CB VAL A 58 9.103 -17.446 -0.427 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.347 -18.766 -1.143 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.340 -16.478 -1.320 1.00 4.35 C ATOM 0 H VAL A 58 8.607 -15.705 1.543 1.00 42.34 H new ATOM 0 HA VAL A 58 7.451 -18.275 0.688 1.00 43.54 H new ATOM 0 HB VAL A 58 10.071 -17.002 -0.194 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.886 -18.582 -2.072 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.938 -19.423 -0.504 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.392 -19.241 -1.366 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.893 -16.325 -2.247 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.357 -16.891 -1.548 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.223 -15.524 -0.806 1.00 4.35 H new ATOM 933 N PHE A 59 8.812 -19.627 2.254 1.00 1.31 N ATOM 934 CA PHE A 59 9.580 -20.451 3.180 1.00 44.44 C ATOM 935 C PHE A 59 9.930 -21.796 2.550 1.00 1.24 C ATOM 936 O PHE A 59 9.138 -22.366 1.800 1.00 3.23 O ATOM 937 CB PHE A 59 8.794 -20.670 4.474 1.00 43.13 C ATOM 938 CG PHE A 59 8.388 -19.393 5.153 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.322 -18.623 5.825 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.071 -18.963 5.116 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.951 -17.448 6.451 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.694 -17.788 5.740 1.00 52.11 C ATOM 943 CZ PHE A 59 7.635 -17.029 6.407 1.00 33.22 C ATOM 0 H PHE A 59 7.934 -20.045 1.946 1.00 1.31 H new ATOM 0 HA PHE A 59 10.507 -19.926 3.411 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.901 -21.254 4.253 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.399 -21.261 5.161 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.352 -18.944 5.860 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.331 -19.552 4.594 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.689 -16.858 6.974 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.664 -17.464 5.706 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.343 -16.110 6.893 1.00 33.22 H new ATOM 953 N ALA A 60 11.122 -22.296 2.860 1.00 64.33 N ATOM 954 CA ALA A 60 11.576 -23.574 2.326 1.00 61.55 C ATOM 955 C ALA A 60 11.280 -24.712 3.297 1.00 45.11 C ATOM 956 O ALA A 60 11.630 -24.641 4.476 1.00 31.21 O ATOM 957 CB ALA A 60 13.064 -23.518 2.015 1.00 21.41 C ATOM 0 H ALA A 60 11.790 -21.836 3.478 1.00 64.33 H new ATOM 0 HA ALA A 60 11.030 -23.767 1.403 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.389 -24.479 1.617 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.252 -22.738 1.278 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.618 -23.297 2.927 1.00 21.41 H new ATOM 963 N ARG A 61 10.632 -25.758 2.797 1.00 41.23 N ATOM 964 CA ARG A 61 10.286 -26.910 3.622 1.00 72.14 C ATOM 965 C ARG A 61 11.394 -27.959 3.582 1.00 20.13 C ATOM 966 O ARG A 61 11.611 -28.611 2.560 1.00 1.01 O ATOM 967 CB ARG A 61 8.969 -27.527 3.149 1.00 64.24 C ATOM 968 CG ARG A 61 8.019 -27.879 4.282 1.00 32.03 C ATOM 969 CD ARG A 61 7.402 -29.254 4.084 1.00 70.43 C ATOM 970 NE ARG A 61 6.139 -29.396 4.805 1.00 4.21 N ATOM 971 CZ ARG A 61 5.000 -28.836 4.409 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.967 -28.102 3.305 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 3.893 -29.011 5.119 1.00 24.30 N ATOM 0 H ARG A 61 10.335 -25.832 1.824 1.00 41.23 H new ATOM 0 HA ARG A 61 10.170 -26.567 4.650 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.473 -26.830 2.474 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.185 -28.428 2.575 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.556 -27.853 5.230 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.229 -27.130 4.342 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.234 -29.426 3.021 1.00 70.43 H new ATOM 0 HD3 ARG A 61 8.101 -30.018 4.424 1.00 70.43 H new ATOM 0 HE ARG A 61 6.131 -29.955 5.658 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.817 -27.966 2.757 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.092 -27.674 3.003 1.00 71.04 H new ATOM 0 HH21 ARG A 61 3.916 -29.575 5.969 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.019 -28.581 4.815 1.00 24.30 H new ATOM 987 N LYS A 62 12.095 -28.114 4.700 1.00 10.33 N ATOM 988 CA LYS A 62 13.180 -29.084 4.795 1.00 21.43 C ATOM 989 C LYS A 62 12.832 -30.195 5.780 1.00 75.40 C ATOM 990 O LYS A 62 12.366 -29.932 6.889 1.00 2.42 O ATOM 991 CB LYS A 62 14.474 -28.391 5.226 1.00 43.22 C ATOM 992 CG LYS A 62 15.211 -27.713 4.084 1.00 41.54 C ATOM 993 CD LYS A 62 16.380 -26.882 4.590 1.00 43.23 C ATOM 994 CE LYS A 62 16.950 -25.997 3.493 1.00 43.44 C ATOM 995 NZ LYS A 62 16.399 -24.615 3.553 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.931 -27.580 5.554 1.00 10.33 H new ATOM 0 HA LYS A 62 13.324 -29.529 3.810 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.242 -27.648 5.989 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.134 -29.126 5.687 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.575 -28.467 3.386 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.521 -27.074 3.533 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.053 -26.263 5.425 1.00 43.23 H new ATOM 0 HD3 LYS A 62 17.160 -27.542 4.969 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.036 -25.959 3.584 1.00 43.44 H new ATOM 0 HE3 LYS A 62 16.727 -26.435 2.520 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 16.812 -24.043 2.789 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 15.366 -24.648 3.441 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 16.634 -24.187 4.471 1.00 24.24 H new ATOM 1009 N ASP A 63 13.065 -31.436 5.370 1.00 23.54 N ATOM 1010 CA ASP A 63 12.779 -32.588 6.219 1.00 42.41 C ATOM 1011 C ASP A 63 13.822 -32.721 7.325 1.00 73.33 C ATOM 1012 O ASP A 63 14.982 -33.040 7.064 1.00 62.32 O ATOM 1013 CB ASP A 63 12.740 -33.868 5.382 1.00 73.01 C ATOM 1014 CG ASP A 63 11.394 -34.564 5.452 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.737 -34.479 6.510 1.00 40.11 O ATOM 1016 OD2 ASP A 63 10.999 -35.192 4.447 1.00 60.22 O1- ATOM 0 H ASP A 63 13.451 -31.671 4.456 1.00 23.54 H new ATOM 0 HA ASP A 63 11.804 -32.434 6.681 1.00 42.41 H new ATOM 0 HB2 ASP A 63 12.968 -33.627 4.344 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.517 -34.549 5.729 1.00 73.01 H new ATOM 1021 N VAL A 64 13.401 -32.472 8.561 1.00 22.25 N ATOM 1022 CA VAL A 64 14.299 -32.564 9.706 1.00 63.30 C ATOM 1023 C VAL A 64 14.699 -34.009 9.977 1.00 51.12 C ATOM 1024 O VAL A 64 13.861 -34.844 10.318 1.00 75.14 O ATOM 1025 CB VAL A 64 13.651 -31.976 10.974 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.595 -32.095 12.160 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.251 -30.526 10.745 1.00 14.04 C ATOM 0 H VAL A 64 12.445 -32.205 8.795 1.00 22.25 H new ATOM 0 HA VAL A 64 15.189 -31.985 9.458 1.00 63.30 H new ATOM 0 HB VAL A 64 12.750 -32.547 11.198 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.120 -31.675 13.047 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.827 -33.145 12.336 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.515 -31.551 11.949 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.795 -30.127 11.651 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.135 -29.940 10.495 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.536 -30.471 9.924 1.00 14.04 H new ATOM 1037 N VAL A 65 15.987 -34.300 9.822 1.00 11.54 N ATOM 1038 CA VAL A 65 16.500 -35.645 10.050 1.00 13.21 C ATOM 1039 C VAL A 65 17.897 -35.605 10.661 1.00 31.21 C ATOM 1040 O VAL A 65 18.692 -34.714 10.359 1.00 25.11 O ATOM 1041 CB VAL A 65 16.547 -36.458 8.743 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.140 -36.725 8.229 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.378 -35.733 7.695 1.00 31.51 C ATOM 0 H VAL A 65 16.694 -33.621 9.539 1.00 11.54 H new ATOM 0 HA VAL A 65 15.816 -36.130 10.746 1.00 13.21 H new ATOM 0 HB VAL A 65 17.021 -37.418 8.949 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.193 -37.301 7.305 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.581 -37.289 8.976 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.637 -35.777 8.038 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.401 -36.321 6.778 1.00 31.51 H new ATOM 0 HG22 VAL A 65 16.935 -34.758 7.490 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.394 -35.599 8.065 1.00 31.51 H new ATOM 1053 N ASP A 66 18.189 -36.574 11.521 1.00 62.52 N ATOM 1054 CA ASP A 66 19.491 -36.651 12.174 1.00 23.33 C ATOM 1055 C ASP A 66 20.617 -36.607 11.146 1.00 21.04 C ATOM 1056 O ASP A 66 21.687 -36.059 11.407 1.00 0.24 O ATOM 1057 CB ASP A 66 19.592 -37.929 13.007 1.00 11.32 C ATOM 1058 CG ASP A 66 20.942 -38.074 13.681 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.259 -37.246 14.561 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.683 -39.017 13.330 1.00 32.13 O ATOM 0 H ASP A 66 17.542 -37.318 11.783 1.00 62.52 H new ATOM 0 HA ASP A 66 19.592 -35.789 12.833 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.809 -37.928 13.765 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.414 -38.792 12.366 1.00 11.32 H new ATOM 1065 N GLU A 67 20.368 -37.189 9.978 1.00 15.03 N ATOM 1066 CA GLU A 67 21.362 -37.219 8.911 1.00 31.11 C ATOM 1067 C GLU A 67 20.718 -36.936 7.557 1.00 50.23 C ATOM 1068 O GLU A 67 19.665 -37.484 7.233 1.00 63.43 O ATOM 1069 CB GLU A 67 22.070 -38.575 8.879 1.00 55.42 C ATOM 1070 CG GLU A 67 23.044 -38.781 10.027 1.00 72.25 C ATOM 1071 CD GLU A 67 24.436 -38.273 9.708 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.551 -37.297 8.937 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 25.412 -38.851 10.230 1.00 71.05 O ATOM 0 H GLU A 67 19.486 -37.646 9.746 1.00 15.03 H new ATOM 0 HA GLU A 67 22.096 -36.439 9.114 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.321 -39.367 8.903 1.00 55.42 H new ATOM 0 HB3 GLU A 67 22.608 -38.672 7.936 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.669 -38.269 10.913 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.095 -39.842 10.269 1.00 72.25 H new ATOM 1080 N VAL A 68 21.358 -36.077 6.771 1.00 15.43 N ATOM 1081 CA VAL A 68 20.849 -35.722 5.452 1.00 65.11 C ATOM 1082 C VAL A 68 20.569 -36.967 4.618 1.00 4.00 C ATOM 1083 O VAL A 68 21.474 -37.747 4.324 1.00 42.11 O ATOM 1084 CB VAL A 68 21.840 -34.820 4.692 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.320 -34.516 3.294 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.091 -33.535 5.466 1.00 63.52 C ATOM 0 H VAL A 68 22.231 -35.614 7.025 1.00 15.43 H new ATOM 0 HA VAL A 68 19.919 -35.176 5.608 1.00 65.11 H new ATOM 0 HB VAL A 68 22.787 -35.350 4.595 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.033 -33.878 2.772 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.194 -35.447 2.742 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.360 -34.005 3.366 1.00 71.34 H new ATOM 0 HG21 VAL A 68 22.793 -32.910 4.915 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.151 -32.998 5.595 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.509 -33.775 6.444 1.00 63.52 H new ATOM 1096 N TYR A 69 19.308 -37.145 4.237 1.00 32.10 N ATOM 1097 CA TYR A 69 18.908 -38.296 3.437 1.00 32.14 C ATOM 1098 C TYR A 69 18.443 -37.862 2.051 1.00 61.22 C ATOM 1099 O TYR A 69 18.529 -38.623 1.087 1.00 10.20 O ATOM 1100 CB TYR A 69 17.791 -39.070 4.142 1.00 62.24 C ATOM 1101 CG TYR A 69 18.145 -39.496 5.549 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.387 -40.048 5.837 1.00 73.44 C ATOM 1103 CD2 TYR A 69 17.237 -39.346 6.589 1.00 23.33 C ATOM 1104 CE1 TYR A 69 19.714 -40.440 7.120 1.00 1.01 C ATOM 1105 CE2 TYR A 69 17.557 -39.734 7.877 1.00 60.10 C ATOM 1106 CZ TYR A 69 18.796 -40.280 8.137 1.00 34.24 C ATOM 1107 OH TYR A 69 19.117 -40.668 9.417 1.00 60.13 O ATOM 0 H TYR A 69 18.547 -36.507 4.469 1.00 32.10 H new ATOM 0 HA TYR A 69 19.776 -38.945 3.322 1.00 32.14 H new ATOM 0 HB2 TYR A 69 16.895 -38.450 4.174 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.546 -39.955 3.554 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.109 -40.173 5.044 1.00 73.44 H new ATOM 0 HD2 TYR A 69 16.265 -38.919 6.389 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.683 -40.870 7.326 1.00 1.01 H new ATOM 0 HE2 TYR A 69 16.840 -39.610 8.675 1.00 60.10 H new ATOM 0 HH TYR A 69 18.361 -40.486 10.013 1.00 60.13 H new ATOM 1117 N ASP A 70 17.951 -36.631 1.958 1.00 20.02 N ATOM 1118 CA ASP A 70 17.474 -36.091 0.690 1.00 33.31 C ATOM 1119 C ASP A 70 18.380 -34.964 0.203 1.00 24.14 C ATOM 1120 O ASP A 70 18.323 -33.846 0.715 1.00 24.10 O ATOM 1121 CB ASP A 70 16.039 -35.583 0.835 1.00 13.03 C ATOM 1122 CG ASP A 70 15.019 -36.703 0.782 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.419 -37.876 0.937 1.00 60.34 O ATOM 1124 OD2 ASP A 70 13.822 -36.407 0.585 1.00 62.25 O1- ATOM 0 H ASP A 70 17.872 -35.988 2.746 1.00 20.02 H new ATOM 0 HA ASP A 70 17.494 -36.893 -0.048 1.00 33.31 H new ATOM 0 HB2 ASP A 70 15.940 -35.050 1.780 1.00 13.03 H new ATOM 0 HB3 ASP A 70 15.829 -34.866 0.041 1.00 13.03 H new ATOM 1129 N GLN A 71 19.214 -35.268 -0.786 1.00 45.13 N ATOM 1130 CA GLN A 71 20.133 -34.281 -1.340 1.00 73.34 C ATOM 1131 C GLN A 71 19.369 -33.133 -1.993 1.00 44.25 C ATOM 1132 O GLN A 71 19.929 -32.065 -2.245 1.00 55.10 O ATOM 1133 CB GLN A 71 21.064 -34.935 -2.361 1.00 71.25 C ATOM 1134 CG GLN A 71 22.304 -34.111 -2.670 1.00 52.44 C ATOM 1135 CD GLN A 71 23.322 -34.147 -1.547 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.077 -33.638 -0.454 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.475 -34.750 -1.812 1.00 51.40 N ATOM 0 H GLN A 71 19.272 -36.189 -1.220 1.00 45.13 H new ATOM 0 HA GLN A 71 20.730 -33.878 -0.522 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.371 -35.912 -1.987 1.00 71.25 H new ATOM 0 HB3 GLN A 71 20.512 -35.107 -3.285 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.765 -34.483 -3.585 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.012 -33.078 -2.858 1.00 52.44 H new ATOM 0 HE21 GLN A 71 24.637 -35.159 -2.732 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.199 -34.804 -1.095 1.00 51.40 H new ATOM 1146 N ARG A 72 18.088 -33.360 -2.266 1.00 4.45 N ATOM 1147 CA ARG A 72 17.249 -32.346 -2.891 1.00 31.14 C ATOM 1148 C ARG A 72 16.785 -31.315 -1.866 1.00 3.13 C ATOM 1149 O ARG A 72 16.712 -30.121 -2.159 1.00 25.45 O ATOM 1150 CB ARG A 72 16.037 -32.997 -3.559 1.00 14.31 C ATOM 1151 CG ARG A 72 15.079 -33.652 -2.578 1.00 43.23 C ATOM 1152 CD ARG A 72 13.910 -34.310 -3.294 1.00 44.31 C ATOM 1153 NE ARG A 72 13.338 -33.441 -4.319 1.00 31.03 N ATOM 1154 CZ ARG A 72 12.566 -33.880 -5.307 1.00 1.35 C ATOM 1155 NH1 ARG A 72 12.275 -35.170 -5.403 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 12.083 -33.028 -6.202 1.00 72.31 N ATOM 0 H ARG A 72 17.609 -34.238 -2.064 1.00 4.45 H new ATOM 0 HA ARG A 72 17.844 -31.837 -3.649 1.00 31.14 H new ATOM 0 HB2 ARG A 72 15.498 -32.241 -4.130 1.00 14.31 H new ATOM 0 HB3 ARG A 72 16.384 -33.747 -4.270 1.00 14.31 H new ATOM 0 HG2 ARG A 72 15.613 -34.398 -1.990 1.00 43.23 H new ATOM 0 HG3 ARG A 72 14.704 -32.904 -1.879 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.243 -35.241 -3.753 1.00 44.31 H new ATOM 0 HD3 ARG A 72 13.140 -34.570 -2.568 1.00 44.31 H new ATOM 0 HE ARG A 72 13.542 -32.443 -4.274 1.00 31.03 H new ATOM 0 HH11 ARG A 72 12.644 -35.829 -4.717 1.00 20.14 H new ATOM 0 HH12 ARG A 72 11.682 -35.504 -6.163 1.00 20.14 H new ATOM 0 HH21 ARG A 72 12.304 -32.035 -6.132 1.00 72.31 H new ATOM 0 HH22 ARG A 72 11.490 -33.366 -6.960 1.00 72.31 H new ATOM 1170 N LEU A 73 16.473 -31.785 -0.663 1.00 3.20 N ATOM 1171 CA LEU A 73 16.015 -30.904 0.407 1.00 51.45 C ATOM 1172 C LEU A 73 16.019 -31.631 1.748 1.00 42.22 C ATOM 1173 O LEU A 73 15.340 -32.644 1.917 1.00 32.31 O ATOM 1174 CB LEU A 73 14.611 -30.383 0.099 1.00 24.54 C ATOM 1175 CG LEU A 73 13.494 -31.427 0.090 1.00 44.12 C ATOM 1176 CD1 LEU A 73 12.701 -31.372 1.386 1.00 70.54 C ATOM 1177 CD2 LEU A 73 12.578 -31.218 -1.107 1.00 14.14 C ATOM 0 H LEU A 73 16.529 -32.770 -0.404 1.00 3.20 H new ATOM 0 HA LEU A 73 16.702 -30.060 0.470 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.360 -29.618 0.834 1.00 24.54 H new ATOM 0 HB3 LEU A 73 14.632 -29.895 -0.875 1.00 24.54 H new ATOM 0 HG LEU A 73 13.947 -32.415 0.007 1.00 44.12 H new ATOM 0 HD11 LEU A 73 11.911 -32.122 1.361 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.365 -31.572 2.227 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.259 -30.382 1.500 1.00 70.54 H new ATOM 0 HD21 LEU A 73 11.789 -31.970 -1.097 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.133 -30.224 -1.055 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.155 -31.310 -2.027 1.00 14.14 H new ATOM 1189 N GLU A 74 16.785 -31.105 2.698 1.00 52.14 N ATOM 1190 CA GLU A 74 16.874 -31.703 4.025 1.00 53.33 C ATOM 1191 C GLU A 74 17.479 -30.722 5.025 1.00 31.14 C ATOM 1192 O GLU A 74 18.069 -29.712 4.640 1.00 54.40 O ATOM 1193 CB GLU A 74 17.715 -32.981 3.977 1.00 34.50 C ATOM 1194 CG GLU A 74 17.211 -34.076 4.902 1.00 5.55 C ATOM 1195 CD GLU A 74 16.148 -34.944 4.256 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.117 -34.392 3.820 1.00 53.23 O ATOM 1197 OE2 GLU A 74 16.350 -36.174 4.185 1.00 54.12 O1- ATOM 0 H GLU A 74 17.353 -30.267 2.574 1.00 52.14 H new ATOM 0 HA GLU A 74 15.864 -31.952 4.351 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.729 -33.359 2.955 1.00 34.50 H new ATOM 0 HB3 GLU A 74 18.744 -32.739 4.241 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.049 -34.702 5.208 1.00 5.55 H new ATOM 0 HG3 GLU A 74 16.805 -33.623 5.807 1.00 5.55 H new ATOM 1204 N ILE A 75 17.326 -31.025 6.309 1.00 62.14 N ATOM 1205 CA ILE A 75 17.856 -30.171 7.365 1.00 30.31 C ATOM 1206 C ILE A 75 18.246 -30.989 8.590 1.00 75.04 C ATOM 1207 O ILE A 75 17.443 -31.758 9.118 1.00 14.04 O ATOM 1208 CB ILE A 75 16.837 -29.095 7.783 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.396 -28.250 8.930 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.520 -29.742 8.186 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.294 -26.761 8.689 1.00 31.35 C ATOM 0 H ILE A 75 16.839 -31.856 6.644 1.00 62.14 H new ATOM 0 HA ILE A 75 18.743 -29.683 6.960 1.00 30.31 H new ATOM 0 HB ILE A 75 16.652 -28.440 6.932 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.862 -28.499 9.847 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.442 -28.513 9.088 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.810 -28.969 8.479 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.118 -30.304 7.343 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.688 -30.417 9.025 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.709 -26.225 9.543 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.852 -26.499 7.790 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.248 -26.484 8.561 1.00 31.35 H new ATOM 1223 N SER A 76 19.486 -30.818 9.039 1.00 72.03 N ATOM 1224 CA SER A 76 19.984 -31.542 10.203 1.00 2.32 C ATOM 1225 C SER A 76 19.212 -31.150 11.459 1.00 11.44 C ATOM 1226 O SER A 76 18.893 -29.978 11.664 1.00 13.53 O ATOM 1227 CB SER A 76 21.476 -31.268 10.401 1.00 63.42 C ATOM 1228 OG SER A 76 22.217 -32.475 10.435 1.00 63.00 O ATOM 0 H SER A 76 20.164 -30.185 8.614 1.00 72.03 H new ATOM 0 HA SER A 76 19.838 -32.608 10.026 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.843 -30.635 9.593 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.628 -30.718 11.330 1.00 63.42 H new ATOM 0 HG SER A 76 23.167 -32.272 10.561 1.00 63.00 H new ATOM 1234 N ILE A 77 18.916 -32.137 12.296 1.00 32.21 N ATOM 1235 CA ILE A 77 18.183 -31.897 13.532 1.00 42.24 C ATOM 1236 C ILE A 77 18.822 -30.773 14.341 1.00 3.30 C ATOM 1237 O ILE A 77 18.127 -29.965 14.957 1.00 62.34 O ATOM 1238 CB ILE A 77 18.114 -33.165 14.403 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.344 -32.882 15.695 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.515 -33.671 14.714 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.903 -32.488 15.467 1.00 2.10 C ATOM 0 H ILE A 77 19.173 -33.112 12.141 1.00 32.21 H new ATOM 0 HA ILE A 77 17.172 -31.607 13.246 1.00 42.24 H new ATOM 0 HB ILE A 77 17.584 -33.940 13.849 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.374 -33.769 16.327 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.848 -32.084 16.241 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.450 -34.568 15.330 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.031 -33.907 13.784 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.069 -32.901 15.251 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.420 -32.303 16.427 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.865 -31.583 14.861 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.383 -33.294 14.949 1.00 2.10 H new ATOM 1253 N GLU A 78 20.151 -30.727 14.333 1.00 30.11 N ATOM 1254 CA GLU A 78 20.884 -29.702 15.064 1.00 0.34 C ATOM 1255 C GLU A 78 20.752 -28.344 14.379 1.00 42.21 C ATOM 1256 O GLU A 78 20.767 -27.304 15.034 1.00 45.21 O ATOM 1257 CB GLU A 78 22.361 -30.084 15.181 1.00 12.10 C ATOM 1258 CG GLU A 78 23.136 -29.922 13.884 1.00 52.02 C ATOM 1259 CD GLU A 78 24.265 -30.924 13.748 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.001 -32.136 13.891 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.412 -30.498 13.501 1.00 44.14 O ATOM 0 H GLU A 78 20.741 -31.388 13.828 1.00 30.11 H new ATOM 0 HA GLU A 78 20.455 -29.629 16.063 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.827 -29.470 15.952 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.435 -31.120 15.511 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.454 -30.033 13.041 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.544 -28.912 13.833 1.00 52.02 H new ATOM 1268 N GLU A 79 20.622 -28.366 13.056 1.00 34.12 N ATOM 1269 CA GLU A 79 20.488 -27.138 12.282 1.00 41.22 C ATOM 1270 C GLU A 79 19.183 -26.421 12.619 1.00 73.11 C ATOM 1271 O GLU A 79 19.172 -25.219 12.878 1.00 3.25 O ATOM 1272 CB GLU A 79 20.542 -27.444 10.784 1.00 40.51 C ATOM 1273 CG GLU A 79 20.396 -26.213 9.905 1.00 71.40 C ATOM 1274 CD GLU A 79 20.739 -26.487 8.454 1.00 23.32 C ATOM 1275 OE1 GLU A 79 21.389 -27.519 8.184 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 20.359 -25.672 7.589 1.00 25.22 O ATOM 0 H GLU A 79 20.607 -29.220 12.499 1.00 34.12 H new ATOM 0 HA GLU A 79 21.320 -26.483 12.542 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.489 -27.933 10.556 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.751 -28.152 10.538 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.372 -25.845 9.969 1.00 71.40 H new ATOM 0 HG3 GLU A 79 21.043 -25.422 10.284 1.00 71.40 H new ATOM 1283 N ALA A 80 18.086 -27.171 12.613 1.00 23.40 N ATOM 1284 CA ALA A 80 16.776 -26.610 12.919 1.00 41.12 C ATOM 1285 C ALA A 80 16.747 -26.019 14.324 1.00 13.05 C ATOM 1286 O ALA A 80 16.011 -25.070 14.593 1.00 13.31 O ATOM 1287 CB ALA A 80 15.698 -27.672 12.768 1.00 63.34 C ATOM 0 H ALA A 80 18.079 -28.168 12.400 1.00 23.40 H new ATOM 0 HA ALA A 80 16.578 -25.805 12.211 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.725 -27.238 13.000 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.695 -28.044 11.743 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.900 -28.496 13.452 1.00 63.34 H new ATOM 1293 N GLN A 81 17.551 -26.588 15.217 1.00 53.33 N ATOM 1294 CA GLN A 81 17.615 -26.117 16.595 1.00 55.10 C ATOM 1295 C GLN A 81 18.174 -24.700 16.661 1.00 65.05 C ATOM 1296 O GLN A 81 17.864 -23.941 17.580 1.00 13.14 O ATOM 1297 CB GLN A 81 18.478 -27.058 17.438 1.00 55.14 C ATOM 1298 CG GLN A 81 17.982 -28.495 17.448 1.00 15.04 C ATOM 1299 CD GLN A 81 17.412 -28.907 18.791 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.832 -28.409 19.835 1.00 60.45 O ATOM 1301 NE2 GLN A 81 16.449 -29.821 18.771 1.00 12.11 N ATOM 0 H GLN A 81 18.166 -27.375 15.011 1.00 53.33 H new ATOM 0 HA GLN A 81 16.602 -26.107 16.996 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.500 -27.038 17.059 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.511 -26.687 18.462 1.00 55.14 H new ATOM 0 HG2 GLN A 81 17.218 -28.617 16.681 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.805 -29.161 17.187 1.00 15.04 H new ATOM 0 HE21 GLN A 81 16.131 -30.207 17.882 1.00 12.11 H new ATOM 0 HE22 GLN A 81 16.027 -30.137 19.644 1.00 12.11 H new ATOM 1310 N GLY A 82 19.000 -24.347 15.681 1.00 10.33 N ATOM 1311 CA GLY A 82 19.589 -23.021 15.647 1.00 0.41 C ATOM 1312 C GLY A 82 18.547 -21.923 15.721 1.00 3.45 C ATOM 1313 O GLY A 82 18.796 -20.861 16.293 1.00 20.11 O ATOM 0 H GLY A 82 19.272 -24.956 14.909 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.285 -22.914 16.479 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.168 -22.907 14.731 1.00 0.41 H new ATOM 1317 N ILE A 83 17.380 -22.175 15.139 1.00 31.40 N ATOM 1318 CA ILE A 83 16.298 -21.199 15.140 1.00 1.12 C ATOM 1319 C ILE A 83 15.137 -21.666 16.014 1.00 73.35 C ATOM 1320 O ILE A 83 14.350 -20.856 16.503 1.00 13.12 O ATOM 1321 CB ILE A 83 15.779 -20.932 13.716 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.127 -22.191 13.142 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.913 -20.459 12.819 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.572 -22.003 11.747 1.00 2.43 C ATOM 0 H ILE A 83 17.159 -23.048 14.660 1.00 31.40 H new ATOM 0 HA ILE A 83 16.707 -20.275 15.547 1.00 1.12 H new ATOM 0 HB ILE A 83 15.026 -20.145 13.761 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.862 -22.996 13.126 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.322 -22.508 13.805 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.530 -20.274 11.815 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.335 -19.538 13.221 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.687 -21.225 12.777 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.125 -22.936 11.404 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.813 -21.221 11.760 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.377 -21.716 11.071 1.00 2.43 H new ATOM 1336 N HIS A 84 15.039 -22.977 16.206 1.00 63.03 N ATOM 1337 CA HIS A 84 13.976 -23.551 17.023 1.00 54.51 C ATOM 1338 C HIS A 84 14.363 -24.943 17.517 1.00 12.33 C ATOM 1339 O HIS A 84 14.207 -25.943 16.816 1.00 53.42 O ATOM 1340 CB HIS A 84 12.675 -23.625 16.225 1.00 32.52 C ATOM 1341 CG HIS A 84 11.467 -23.216 17.011 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.307 -23.504 18.349 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.358 -22.534 16.638 1.00 40.41 C ATOM 1344 CE1 HIS A 84 10.151 -23.019 18.767 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.555 -22.426 17.748 1.00 13.00 N ATOM 0 H HIS A 84 15.682 -23.661 15.808 1.00 63.03 H new ATOM 0 HA HIS A 84 13.827 -22.905 17.888 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.760 -22.986 15.346 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.536 -24.645 15.865 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.145 -22.147 15.652 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.760 -23.095 19.771 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.647 -21.963 17.780 1.00 13.00 H new ATOM 1353 N PRO A 85 14.880 -25.010 18.753 1.00 51.33 N ATOM 1354 CA PRO A 85 15.299 -26.273 19.368 1.00 21.45 C ATOM 1355 C PRO A 85 14.117 -27.173 19.708 1.00 1.12 C ATOM 1356 O PRO A 85 14.295 -28.324 20.104 1.00 55.23 O ATOM 1357 CB PRO A 85 16.014 -25.825 20.645 1.00 54.51 C ATOM 1358 CG PRO A 85 15.420 -24.498 20.967 1.00 23.33 C ATOM 1359 CD PRO A 85 15.094 -23.858 19.645 1.00 35.21 C ATOM 0 HA PRO A 85 15.923 -26.865 18.698 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.858 -26.536 21.456 1.00 54.51 H new ATOM 0 HB3 PRO A 85 17.090 -25.750 20.490 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.524 -24.609 21.578 1.00 23.33 H new ATOM 0 HG3 PRO A 85 16.119 -23.885 21.535 1.00 23.33 H new ATOM 0 HD2 PRO A 85 14.206 -23.230 19.711 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.908 -23.223 19.294 1.00 35.21 H new ATOM 1367 N GLU A 86 12.909 -26.641 19.548 1.00 11.24 N ATOM 1368 CA GLU A 86 11.697 -27.399 19.839 1.00 2.30 C ATOM 1369 C GLU A 86 11.439 -28.449 18.762 1.00 54.33 C ATOM 1370 O GLU A 86 10.711 -29.416 18.985 1.00 72.01 O ATOM 1371 CB GLU A 86 10.494 -26.458 19.946 1.00 32.11 C ATOM 1372 CG GLU A 86 10.468 -25.649 21.233 1.00 10.02 C ATOM 1373 CD GLU A 86 10.543 -26.520 22.471 1.00 32.22 C ATOM 1374 OE1 GLU A 86 9.589 -27.290 22.713 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 11.554 -26.433 23.199 1.00 32.50 O ATOM 0 H GLU A 86 12.744 -25.690 19.219 1.00 11.24 H new ATOM 0 HA GLU A 86 11.839 -27.908 20.792 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.501 -25.775 19.097 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.577 -27.044 19.876 1.00 32.11 H new ATOM 0 HG2 GLU A 86 11.304 -24.949 21.235 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.555 -25.055 21.266 1.00 10.02 H new ATOM 1382 N TYR A 87 12.043 -28.250 17.595 1.00 13.33 N ATOM 1383 CA TYR A 87 11.878 -29.178 16.483 1.00 62.40 C ATOM 1384 C TYR A 87 12.255 -30.598 16.896 1.00 30.01 C ATOM 1385 O TYR A 87 12.708 -30.830 18.017 1.00 64.21 O ATOM 1386 CB TYR A 87 12.731 -28.737 15.293 1.00 41.24 C ATOM 1387 CG TYR A 87 12.135 -27.588 14.512 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.792 -27.587 14.155 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.915 -26.501 14.133 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.244 -26.539 13.442 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.374 -25.448 13.421 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.039 -25.473 13.077 1.00 73.33 C ATOM 1393 OH TYR A 87 10.495 -24.426 12.367 1.00 33.41 O ATOM 0 H TYR A 87 12.650 -27.455 17.395 1.00 13.33 H new ATOM 0 HA TYR A 87 10.828 -29.172 16.191 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.718 -28.447 15.652 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.872 -29.586 14.624 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.166 -28.420 14.440 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.961 -26.480 14.400 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.198 -26.554 13.172 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.993 -24.610 13.136 1.00 41.22 H new ATOM 0 HH TYR A 87 11.040 -23.622 12.500 1.00 33.41 H new ATOM 1403 N MET A 88 12.067 -31.543 15.981 1.00 30.33 N ATOM 1404 CA MET A 88 12.389 -32.940 16.249 1.00 15.53 C ATOM 1405 C MET A 88 12.482 -33.734 14.950 1.00 10.42 C ATOM 1406 O MET A 88 11.764 -33.458 13.988 1.00 24.25 O ATOM 1407 CB MET A 88 11.335 -33.562 17.167 1.00 14.22 C ATOM 1408 CG MET A 88 11.693 -34.961 17.642 1.00 4.24 C ATOM 1409 SD MET A 88 13.168 -34.987 18.679 1.00 21.05 S ATOM 1410 CE MET A 88 12.564 -34.160 20.147 1.00 34.51 C ATOM 0 H MET A 88 11.694 -31.367 15.048 1.00 30.33 H new ATOM 0 HA MET A 88 13.358 -32.975 16.746 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.195 -32.917 18.035 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.382 -33.599 16.640 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.854 -35.377 18.200 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.851 -35.605 16.777 1.00 4.24 H new ATOM 0 HE1 MET A 88 13.248 -34.344 20.976 1.00 34.51 H new ATOM 0 HE2 MET A 88 12.500 -33.088 19.960 1.00 34.51 H new ATOM 0 HE3 MET A 88 11.576 -34.544 20.400 1.00 34.51 H new ATOM 1420 N VAL A 89 13.369 -34.724 14.929 1.00 2.14 N ATOM 1421 CA VAL A 89 13.555 -35.559 13.748 1.00 32.25 C ATOM 1422 C VAL A 89 12.224 -36.113 13.251 1.00 31.51 C ATOM 1423 O VAL A 89 11.496 -36.767 13.997 1.00 22.02 O ATOM 1424 CB VAL A 89 14.511 -36.732 14.035 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.663 -37.611 12.803 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.864 -36.215 14.502 1.00 64.13 C ATOM 0 H VAL A 89 13.970 -34.967 15.716 1.00 2.14 H new ATOM 0 HA VAL A 89 13.992 -34.924 12.977 1.00 32.25 H new ATOM 0 HB VAL A 89 14.084 -37.338 14.834 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.342 -38.434 13.025 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.689 -38.010 12.519 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.067 -37.019 11.981 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.527 -37.057 14.700 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.300 -35.585 13.727 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.736 -35.632 15.414 1.00 64.13 H new ATOM 1436 N GLY A 90 11.913 -35.844 11.987 1.00 61.31 N ATOM 1437 CA GLY A 90 10.670 -36.323 11.411 1.00 5.34 C ATOM 1438 C GLY A 90 9.732 -35.193 11.035 1.00 73.20 C ATOM 1439 O GLY A 90 8.805 -35.384 10.247 1.00 73.05 O ATOM 0 H GLY A 90 12.499 -35.303 11.352 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.890 -36.919 10.525 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.173 -36.982 12.123 1.00 5.34 H new ATOM 1443 N ASP A 91 9.972 -34.015 11.598 1.00 14.12 N ATOM 1444 CA ASP A 91 9.142 -32.849 11.317 1.00 22.15 C ATOM 1445 C ASP A 91 9.734 -32.022 10.180 1.00 32.31 C ATOM 1446 O ASP A 91 10.689 -32.441 9.526 1.00 53.31 O ATOM 1447 CB ASP A 91 8.995 -31.986 12.571 1.00 12.13 C ATOM 1448 CG ASP A 91 7.562 -31.555 12.813 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.697 -32.440 12.983 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.306 -30.334 12.834 1.00 3.14 O ATOM 0 H ASP A 91 10.735 -33.841 12.252 1.00 14.12 H new ATOM 0 HA ASP A 91 8.157 -33.200 11.011 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.355 -32.543 13.436 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.626 -31.102 12.476 1.00 12.13 H new ATOM 1455 N VAL A 92 9.160 -30.845 9.950 1.00 31.51 N ATOM 1456 CA VAL A 92 9.630 -29.959 8.893 1.00 42.33 C ATOM 1457 C VAL A 92 9.816 -28.536 9.411 1.00 75.52 C ATOM 1458 O VAL A 92 9.123 -28.105 10.333 1.00 53.31 O ATOM 1459 CB VAL A 92 8.654 -29.936 7.703 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.767 -31.221 6.896 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.227 -29.726 8.188 1.00 61.45 C ATOM 0 H VAL A 92 8.368 -30.484 10.482 1.00 31.51 H new ATOM 0 HA VAL A 92 10.591 -30.350 8.557 1.00 42.33 H new ATOM 0 HB VAL A 92 8.919 -29.102 7.054 1.00 41.12 H new ATOM 0 HG11 VAL A 92 8.070 -31.187 6.059 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.784 -31.325 6.518 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.528 -32.073 7.533 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.551 -29.712 7.333 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.948 -30.538 8.859 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.159 -28.777 8.719 1.00 61.45 H new ATOM 1471 N VAL A 93 10.755 -27.812 8.811 1.00 53.22 N ATOM 1472 CA VAL A 93 11.031 -26.437 9.210 1.00 1.40 C ATOM 1473 C VAL A 93 10.920 -25.488 8.022 1.00 13.54 C ATOM 1474 O VAL A 93 11.423 -25.775 6.936 1.00 42.32 O ATOM 1475 CB VAL A 93 12.434 -26.303 9.831 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.494 -26.829 8.875 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.714 -24.857 10.208 1.00 1.50 C ATOM 0 H VAL A 93 11.337 -28.155 8.047 1.00 53.22 H new ATOM 0 HA VAL A 93 10.285 -26.168 9.957 1.00 1.40 H new ATOM 0 HB VAL A 93 12.469 -26.904 10.740 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.479 -26.726 9.331 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.301 -27.880 8.661 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.463 -26.258 7.947 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.710 -24.781 10.645 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.661 -24.232 9.317 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.973 -24.520 10.933 1.00 1.50 H new ATOM 1487 N GLU A 94 10.259 -24.355 8.236 1.00 63.33 N ATOM 1488 CA GLU A 94 10.083 -23.362 7.182 1.00 13.04 C ATOM 1489 C GLU A 94 10.951 -22.134 7.440 1.00 14.14 C ATOM 1490 O GLU A 94 10.680 -21.350 8.349 1.00 22.33 O ATOM 1491 CB GLU A 94 8.613 -22.949 7.080 1.00 72.23 C ATOM 1492 CG GLU A 94 7.842 -23.702 6.008 1.00 51.42 C ATOM 1493 CD GLU A 94 6.340 -23.607 6.196 1.00 45.35 C ATOM 1494 OE1 GLU A 94 5.840 -24.086 7.235 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.666 -23.054 5.302 1.00 11.44 O1- ATOM 0 H GLU A 94 9.837 -24.102 9.129 1.00 63.33 H new ATOM 0 HA GLU A 94 10.393 -23.812 6.239 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.131 -23.111 8.044 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.558 -21.880 6.872 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.108 -23.305 5.028 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.141 -24.750 6.019 1.00 51.42 H new ATOM 1502 N ILE A 95 11.995 -21.975 6.633 1.00 43.41 N ATOM 1503 CA ILE A 95 12.902 -20.843 6.774 1.00 24.11 C ATOM 1504 C ILE A 95 12.702 -19.835 5.647 1.00 51.42 C ATOM 1505 O ILE A 95 12.497 -20.211 4.494 1.00 43.44 O ATOM 1506 CB ILE A 95 14.374 -21.298 6.784 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.563 -22.465 7.756 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.284 -20.138 7.155 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.436 -23.823 7.102 1.00 4.40 C ATOM 0 H ILE A 95 12.233 -22.615 5.876 1.00 43.41 H new ATOM 0 HA ILE A 95 12.670 -20.370 7.728 1.00 24.11 H new ATOM 0 HB ILE A 95 14.642 -21.637 5.783 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.546 -22.385 8.220 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.826 -22.385 8.555 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.321 -20.475 7.158 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.165 -19.335 6.427 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.019 -19.771 8.146 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.581 -24.602 7.850 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.444 -23.923 6.662 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.191 -23.923 6.322 1.00 4.40 H new ATOM 1521 N GLU A 96 12.762 -18.552 5.991 1.00 15.41 N ATOM 1522 CA GLU A 96 12.588 -17.489 5.008 1.00 4.20 C ATOM 1523 C GLU A 96 13.575 -17.647 3.856 1.00 3.25 C ATOM 1524 O GLU A 96 14.789 -17.690 4.064 1.00 21.32 O ATOM 1525 CB GLU A 96 12.771 -16.120 5.666 1.00 33.11 C ATOM 1526 CG GLU A 96 14.107 -15.956 6.371 1.00 44.11 C ATOM 1527 CD GLU A 96 14.104 -14.813 7.367 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.192 -13.647 6.931 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.015 -15.084 8.582 1.00 64.34 O ATOM 0 H GLU A 96 12.930 -18.224 6.942 1.00 15.41 H new ATOM 0 HA GLU A 96 11.576 -17.560 4.610 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.674 -15.345 4.906 1.00 33.11 H new ATOM 0 HB3 GLU A 96 11.968 -15.962 6.386 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.357 -16.883 6.888 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.887 -15.784 5.629 1.00 44.11 H new ATOM 1536 N VAL A 97 13.048 -17.734 2.638 1.00 52.41 N ATOM 1537 CA VAL A 97 13.881 -17.886 1.453 1.00 41.24 C ATOM 1538 C VAL A 97 13.448 -16.927 0.349 1.00 64.02 C ATOM 1539 O VAL A 97 13.916 -17.016 -0.786 1.00 40.42 O ATOM 1540 CB VAL A 97 13.831 -19.328 0.913 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.499 -19.597 0.231 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.989 -19.579 -0.041 1.00 14.33 C ATOM 0 H VAL A 97 12.046 -17.702 2.447 1.00 52.41 H new ATOM 0 HA VAL A 97 14.903 -17.653 1.753 1.00 41.24 H new ATOM 0 HB VAL A 97 13.926 -20.016 1.753 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.482 -20.620 -0.144 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.689 -19.460 0.948 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.369 -18.904 -0.600 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.939 -20.602 -0.413 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.927 -18.885 -0.879 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.932 -19.430 0.485 1.00 14.33 H new ATOM 1552 N THR A 98 12.549 -16.008 0.690 1.00 74.11 N ATOM 1553 CA THR A 98 12.052 -15.032 -0.271 1.00 21.42 C ATOM 1554 C THR A 98 13.088 -13.946 -0.538 1.00 23.55 C ATOM 1555 O THR A 98 13.776 -13.474 0.367 1.00 72.05 O ATOM 1556 CB THR A 98 10.750 -14.373 0.221 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.170 -13.589 -0.828 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.013 -13.492 1.433 1.00 33.24 C ATOM 0 H THR A 98 12.151 -15.920 1.625 1.00 74.11 H new ATOM 0 HA THR A 98 11.850 -15.573 -1.196 1.00 21.42 H new ATOM 0 HB THR A 98 10.056 -15.163 0.510 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.689 -14.176 -1.448 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.079 -13.038 1.762 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.426 -14.097 2.240 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.723 -12.709 1.167 1.00 33.24 H new ATOM 1566 N PRO A 99 13.203 -13.537 -1.811 1.00 61.42 N ATOM 1567 CA PRO A 99 14.152 -12.500 -2.226 1.00 22.35 C ATOM 1568 C PRO A 99 13.761 -11.117 -1.714 1.00 21.13 C ATOM 1569 O PRO A 99 12.603 -10.874 -1.374 1.00 4.33 O ATOM 1570 CB PRO A 99 14.079 -12.545 -3.755 1.00 33.45 C ATOM 1571 CG PRO A 99 12.726 -13.092 -4.053 1.00 23.31 C ATOM 1572 CD PRO A 99 12.414 -14.056 -2.942 1.00 75.43 C ATOM 0 HA PRO A 99 15.151 -12.678 -1.827 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.209 -11.553 -4.187 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.863 -13.179 -4.170 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.984 -12.295 -4.097 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.713 -13.594 -5.020 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.348 -14.075 -2.714 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.703 -15.075 -3.200 1.00 75.43 H new ATOM 1580 N LYS A 100 14.734 -10.215 -1.663 1.00 1.34 N ATOM 1581 CA LYS A 100 14.492 -8.855 -1.195 1.00 31.23 C ATOM 1582 C LYS A 100 13.760 -8.036 -2.253 1.00 11.53 C ATOM 1583 O LYS A 100 13.360 -6.899 -2.006 1.00 43.02 O ATOM 1584 CB LYS A 100 15.815 -8.175 -0.836 1.00 14.02 C ATOM 1585 CG LYS A 100 16.302 -8.494 0.568 1.00 13.24 C ATOM 1586 CD LYS A 100 15.499 -7.747 1.620 1.00 51.30 C ATOM 1587 CE LYS A 100 16.045 -6.347 1.848 1.00 60.13 C ATOM 1588 NZ LYS A 100 15.517 -5.745 3.104 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.698 -10.400 -1.940 1.00 1.34 H new ATOM 0 HA LYS A 100 13.864 -8.911 -0.306 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.577 -8.479 -1.554 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.698 -7.096 -0.934 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.226 -9.567 0.745 1.00 13.24 H new ATOM 0 HG3 LYS A 100 17.356 -8.229 0.658 1.00 13.24 H new ATOM 0 HD2 LYS A 100 14.457 -7.686 1.308 1.00 51.30 H new ATOM 0 HD3 LYS A 100 15.519 -8.303 2.557 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.133 -6.384 1.892 1.00 60.13 H new ATOM 0 HE3 LYS A 100 15.782 -5.712 1.002 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 15.912 -4.791 3.224 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 14.480 -5.686 3.052 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 15.790 -6.337 3.914 1.00 62.04 H new ATOM 1602 N ASP A 101 13.585 -8.624 -3.433 1.00 23.32 N ATOM 1603 CA ASP A 101 12.897 -7.950 -4.528 1.00 41.13 C ATOM 1604 C ASP A 101 11.523 -8.565 -4.767 1.00 43.12 C ATOM 1605 O ASP A 101 10.832 -8.216 -5.724 1.00 15.43 O ATOM 1606 CB ASP A 101 13.734 -8.027 -5.806 1.00 64.01 C ATOM 1607 CG ASP A 101 15.190 -7.683 -5.568 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.462 -6.575 -5.060 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.058 -8.521 -5.889 1.00 12.30 O ATOM 0 H ASP A 101 13.910 -9.565 -3.655 1.00 23.32 H new ATOM 0 HA ASP A 101 12.763 -6.904 -4.252 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.665 -9.032 -6.222 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.320 -7.346 -6.549 1.00 64.01 H new ATOM 1614 N PHE A 102 11.131 -9.485 -3.890 1.00 61.52 N ATOM 1615 CA PHE A 102 9.839 -10.152 -4.006 1.00 41.25 C ATOM 1616 C PHE A 102 8.698 -9.177 -3.730 1.00 61.03 C ATOM 1617 O PHE A 102 7.554 -9.420 -4.112 1.00 73.03 O ATOM 1618 CB PHE A 102 9.762 -11.333 -3.038 1.00 42.23 C ATOM 1619 CG PHE A 102 9.164 -12.570 -3.647 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.653 -13.075 -4.842 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.115 -13.226 -3.025 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.104 -14.213 -5.404 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.564 -14.364 -3.583 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.058 -14.857 -4.775 1.00 15.23 C ATOM 0 H PHE A 102 11.690 -9.785 -3.091 1.00 61.52 H new ATOM 0 HA PHE A 102 9.739 -10.522 -5.026 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.765 -11.563 -2.678 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.170 -11.043 -2.170 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.471 -12.575 -5.339 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.723 -12.844 -2.094 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.494 -14.598 -6.335 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.747 -14.868 -3.087 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.627 -15.745 -5.214 1.00 15.23 H new ATOM 1634 N GLY A 103 9.020 -8.072 -3.063 1.00 33.20 N ATOM 1635 CA GLY A 103 8.011 -7.078 -2.746 1.00 14.33 C ATOM 1636 C GLY A 103 7.198 -6.670 -3.958 1.00 14.11 C ATOM 1637 O GLY A 103 5.967 -6.692 -3.924 1.00 52.21 O ATOM 0 H GLY A 103 9.960 -7.848 -2.737 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.343 -7.474 -1.981 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.494 -6.197 -2.323 1.00 14.33 H new ATOM 1641 N ARG A 104 7.886 -6.293 -5.030 1.00 11.41 N ATOM 1642 CA ARG A 104 7.219 -5.875 -6.258 1.00 21.11 C ATOM 1643 C ARG A 104 6.733 -7.084 -7.052 1.00 54.21 C ATOM 1644 O ARG A 104 5.637 -7.071 -7.613 1.00 35.02 O ATOM 1645 CB ARG A 104 8.166 -5.034 -7.117 1.00 50.22 C ATOM 1646 CG ARG A 104 7.530 -4.517 -8.396 1.00 72.45 C ATOM 1647 CD ARG A 104 6.636 -3.317 -8.129 1.00 22.14 C ATOM 1648 NE ARG A 104 6.614 -2.388 -9.256 1.00 50.51 N ATOM 1649 CZ ARG A 104 7.640 -1.612 -9.589 1.00 32.33 C ATOM 1650 NH1 ARG A 104 8.763 -1.654 -8.884 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 7.544 -0.793 -10.628 1.00 63.54 N ATOM 0 H ARG A 104 8.905 -6.268 -5.074 1.00 11.41 H new ATOM 0 HA ARG A 104 6.354 -5.271 -5.984 1.00 21.11 H new ATOM 0 HB2 ARG A 104 8.520 -4.187 -6.529 1.00 50.22 H new ATOM 0 HB3 ARG A 104 9.040 -5.633 -7.372 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.310 -4.240 -9.105 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.945 -5.312 -8.860 1.00 72.45 H new ATOM 0 HD2 ARG A 104 5.622 -3.659 -7.922 1.00 22.14 H new ATOM 0 HD3 ARG A 104 6.985 -2.796 -7.237 1.00 22.14 H new ATOM 0 HE ARG A 104 5.765 -2.332 -9.818 1.00 50.51 H new ATOM 0 HH11 ARG A 104 8.840 -2.283 -8.085 1.00 65.42 H new ATOM 0 HH12 ARG A 104 9.549 -1.057 -9.141 1.00 65.42 H new ATOM 0 HH21 ARG A 104 6.682 -0.758 -11.172 1.00 63.54 H new ATOM 0 HH22 ARG A 104 8.332 -0.198 -10.883 1.00 63.54 H new ATOM 1665 N ILE A 105 7.557 -8.125 -7.096 1.00 74.15 N ATOM 1666 CA ILE A 105 7.212 -9.342 -7.822 1.00 51.42 C ATOM 1667 C ILE A 105 5.885 -9.914 -7.334 1.00 31.22 C ATOM 1668 O ILE A 105 5.104 -10.451 -8.119 1.00 32.23 O ATOM 1669 CB ILE A 105 8.305 -10.416 -7.674 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.646 -9.883 -8.185 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.911 -11.681 -8.422 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.832 -10.718 -7.754 1.00 51.01 C ATOM 0 H ILE A 105 8.468 -8.151 -6.638 1.00 74.15 H new ATOM 0 HA ILE A 105 7.124 -9.068 -8.873 1.00 51.42 H new ATOM 0 HB ILE A 105 8.412 -10.662 -6.617 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.619 -9.839 -9.274 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.782 -8.862 -7.828 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.694 -12.430 -8.307 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.976 -12.068 -8.016 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.780 -11.452 -9.480 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.748 -10.282 -8.152 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.884 -10.741 -6.666 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.719 -11.734 -8.134 1.00 51.01 H new ATOM 1684 N ALA A 106 5.636 -9.793 -6.035 1.00 52.13 N ATOM 1685 CA ALA A 106 4.402 -10.294 -5.443 1.00 0.32 C ATOM 1686 C ALA A 106 3.180 -9.736 -6.165 1.00 11.13 C ATOM 1687 O ALA A 106 2.291 -10.484 -6.572 1.00 42.22 O ATOM 1688 CB ALA A 106 4.346 -9.946 -3.963 1.00 60.32 C ATOM 0 H ALA A 106 6.273 -9.352 -5.372 1.00 52.13 H new ATOM 0 HA ALA A 106 4.392 -11.379 -5.551 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.419 -10.327 -3.535 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.195 -10.398 -3.451 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.384 -8.863 -3.842 1.00 60.32 H new ATOM 1694 N ALA A 107 3.143 -8.416 -6.322 1.00 54.24 N ATOM 1695 CA ALA A 107 2.031 -7.758 -6.996 1.00 40.42 C ATOM 1696 C ALA A 107 2.084 -7.997 -8.502 1.00 61.51 C ATOM 1697 O ALA A 107 1.065 -8.285 -9.129 1.00 62.23 O ATOM 1698 CB ALA A 107 2.040 -6.267 -6.696 1.00 41.43 C ATOM 0 H ALA A 107 3.871 -7.782 -5.991 1.00 54.24 H new ATOM 0 HA ALA A 107 1.103 -8.188 -6.618 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.204 -5.788 -7.206 1.00 41.43 H new ATOM 0 HB2 ALA A 107 1.947 -6.112 -5.621 1.00 41.43 H new ATOM 0 HB3 ALA A 107 2.976 -5.831 -7.046 1.00 41.43 H new ATOM 1704 N GLN A 108 3.277 -7.873 -9.075 1.00 63.24 N ATOM 1705 CA GLN A 108 3.461 -8.074 -10.507 1.00 24.31 C ATOM 1706 C GLN A 108 2.940 -9.442 -10.936 1.00 33.31 C ATOM 1707 O GLN A 108 2.334 -9.582 -11.999 1.00 5.33 O ATOM 1708 CB GLN A 108 4.939 -7.939 -10.877 1.00 74.24 C ATOM 1709 CG GLN A 108 5.262 -8.430 -12.279 1.00 10.13 C ATOM 1710 CD GLN A 108 6.049 -9.726 -12.277 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.137 -9.803 -11.708 1.00 30.11 O ATOM 1712 NE2 GLN A 108 5.499 -10.753 -12.915 1.00 30.20 N ATOM 0 H GLN A 108 4.130 -7.634 -8.569 1.00 63.24 H new ATOM 0 HA GLN A 108 2.891 -7.307 -11.032 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.233 -6.893 -10.791 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.538 -8.498 -10.158 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.334 -8.574 -12.832 1.00 10.13 H new ATOM 0 HG3 GLN A 108 5.832 -7.664 -12.806 1.00 10.13 H new ATOM 0 HE21 GLN A 108 4.594 -10.643 -13.373 1.00 30.20 H new ATOM 0 HE22 GLN A 108 5.981 -11.651 -12.947 1.00 30.20 H new ATOM 1721 N THR A 109 3.180 -10.449 -10.102 1.00 14.35 N ATOM 1722 CA THR A 109 2.737 -11.807 -10.396 1.00 1.22 C ATOM 1723 C THR A 109 1.290 -12.017 -9.967 1.00 5.53 C ATOM 1724 O THR A 109 0.578 -12.846 -10.535 1.00 22.25 O ATOM 1725 CB THR A 109 3.625 -12.852 -9.694 1.00 63.33 C ATOM 1726 OG1 THR A 109 5.000 -12.629 -10.028 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.222 -14.262 -10.098 1.00 43.12 C ATOM 0 H THR A 109 3.679 -10.350 -9.218 1.00 14.35 H new ATOM 0 HA THR A 109 2.817 -11.939 -11.475 1.00 1.22 H new ATOM 0 HB THR A 109 3.491 -12.747 -8.617 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.344 -11.872 -9.509 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.863 -14.983 -9.590 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.184 -14.438 -9.817 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.331 -14.377 -11.177 1.00 43.12 H new ATOM 1735 N ALA A 110 0.858 -11.261 -8.963 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.506 -11.363 -8.461 1.00 65.20 C ATOM 1737 C ALA A 110 -1.498 -10.737 -9.436 1.00 34.15 C ATOM 1738 O ALA A 110 -2.632 -11.198 -9.565 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.616 -10.702 -7.095 1.00 42.13 C ATOM 0 H ALA A 110 1.434 -10.571 -8.481 1.00 1.34 H new ATOM 0 HA ALA A 110 -0.753 -12.420 -8.362 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.640 -10.786 -6.732 1.00 42.13 H new ATOM 0 HB2 ALA A 110 0.058 -11.197 -6.396 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.345 -9.649 -7.177 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.065 -9.683 -10.119 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.914 -8.994 -11.083 1.00 13.33 C ATOM 1747 C LYS A 111 -2.118 -9.842 -12.333 1.00 33.32 C ATOM 1748 O LYS A 111 -3.142 -9.732 -13.008 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.298 -7.646 -11.464 1.00 20.42 C ATOM 1750 CG LYS A 111 0.099 -7.760 -12.052 1.00 74.20 C ATOM 1751 CD LYS A 111 0.300 -6.787 -13.202 1.00 34.11 C ATOM 1752 CE LYS A 111 0.704 -5.409 -12.702 1.00 74.34 C ATOM 1753 NZ LYS A 111 -0.476 -4.603 -12.283 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.130 -9.287 -10.023 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.885 -8.825 -10.618 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.947 -7.150 -12.185 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.260 -7.010 -10.579 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.839 -7.565 -11.276 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.265 -8.779 -12.402 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.067 -7.171 -13.875 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.621 -6.710 -13.780 1.00 34.11 H new ATOM 0 HE2 LYS A 111 1.389 -5.514 -11.861 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.244 -4.881 -13.488 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 -0.373 -3.629 -12.633 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 -1.341 -5.023 -12.678 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -0.538 -4.593 -11.245 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.140 -10.691 -12.634 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.215 -11.558 -13.803 1.00 10.21 C ATOM 1769 C GLN A 112 -2.179 -12.715 -13.562 1.00 0.31 C ATOM 1770 O GLN A 112 -2.844 -13.186 -14.485 1.00 14.34 O ATOM 1771 CB GLN A 112 0.173 -12.100 -14.152 1.00 41.41 C ATOM 1772 CG GLN A 112 0.416 -13.516 -13.653 1.00 33.01 C ATOM 1773 CD GLN A 112 1.867 -13.937 -13.777 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.754 -13.103 -13.965 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.119 -15.237 -13.673 1.00 73.33 N ATOM 0 H GLN A 112 -0.287 -10.796 -12.084 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.588 -10.966 -14.639 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.301 -12.078 -15.234 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.929 -11.439 -13.728 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.109 -13.587 -12.610 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.209 -14.208 -14.217 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.354 -15.894 -13.517 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.077 -15.578 -13.749 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.250 -13.170 -12.314 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.134 -14.270 -11.951 1.00 53.54 C ATOM 1786 C VAL A 113 -4.583 -13.805 -11.860 1.00 33.44 C ATOM 1787 O VAL A 113 -5.470 -14.375 -12.496 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.723 -14.900 -10.606 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.774 -15.895 -10.139 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.361 -15.566 -10.725 1.00 71.43 C ATOM 0 H VAL A 113 -1.705 -12.793 -11.538 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.045 -15.019 -12.738 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.651 -14.108 -9.860 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.466 -16.330 -9.188 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.728 -15.384 -10.013 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.882 -16.686 -10.881 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.086 -16.006 -9.766 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.403 -16.347 -11.484 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.616 -14.823 -11.010 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.816 -12.766 -11.065 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.158 -12.222 -10.892 1.00 44.31 C ATOM 1802 C VAL A 114 -6.779 -11.851 -12.234 1.00 24.40 C ATOM 1803 O VAL A 114 -7.974 -12.050 -12.455 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.147 -10.979 -9.983 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.739 -11.356 -8.566 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.218 -9.915 -10.547 1.00 62.43 C ATOM 0 H VAL A 114 -4.093 -12.284 -10.531 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.757 -13.002 -10.422 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.156 -10.568 -9.948 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.737 -10.465 -7.939 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.447 -12.081 -8.164 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.740 -11.793 -8.579 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.223 -9.044 -9.892 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.206 -10.314 -10.613 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.559 -9.624 -11.540 1.00 62.43 H new ATOM 1816 N THR A 115 -5.958 -11.310 -13.129 1.00 11.13 N ATOM 1817 CA THR A 115 -6.426 -10.909 -14.450 1.00 33.11 C ATOM 1818 C THR A 115 -6.736 -12.126 -15.315 1.00 25.41 C ATOM 1819 O THR A 115 -7.598 -12.071 -16.192 1.00 0.53 O ATOM 1820 CB THR A 115 -5.385 -10.032 -15.172 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.137 -8.843 -14.415 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.866 -9.661 -16.568 1.00 72.31 C ATOM 0 H THR A 115 -4.966 -11.140 -12.963 1.00 11.13 H new ATOM 0 HA THR A 115 -7.337 -10.330 -14.301 1.00 33.11 H new ATOM 0 HB THR A 115 -4.461 -10.603 -15.263 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.500 -9.040 -13.696 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.115 -9.042 -17.059 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.026 -10.568 -17.151 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.802 -9.107 -16.495 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.029 -13.222 -15.062 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.231 -14.452 -15.819 1.00 54.01 C ATOM 1832 C GLN A 116 -7.550 -15.117 -15.437 1.00 61.15 C ATOM 1833 O GLN A 116 -8.352 -15.468 -16.302 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.071 -15.420 -15.578 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.838 -15.111 -16.412 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.569 -15.683 -15.812 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.617 -16.505 -14.897 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.423 -15.252 -16.326 1.00 23.42 N ATOM 0 H GLN A 116 -5.312 -13.284 -14.339 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.268 -14.195 -16.878 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.801 -15.395 -14.522 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.403 -16.434 -15.798 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -3.973 -15.512 -17.416 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.733 -14.031 -16.512 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -1.429 -14.570 -17.084 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.537 -15.603 -15.963 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.767 -15.285 -14.136 1.00 54.30 N ATOM 1848 CA ARG A 117 -8.988 -15.908 -13.641 1.00 0.51 C ATOM 1849 C ARG A 117 -10.222 -15.188 -14.176 1.00 2.44 C ATOM 1850 O ARG A 117 -11.284 -15.790 -14.337 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.004 -15.902 -12.111 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.785 -16.562 -11.487 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.652 -18.013 -11.923 1.00 72.54 C ATOM 1854 NE ARG A 117 -8.903 -18.750 -11.761 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.308 -19.264 -10.604 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.565 -19.123 -9.515 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.458 -19.922 -10.536 1.00 63.20 N ATOM 0 H ARG A 117 -7.114 -14.999 -13.407 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.009 -16.939 -13.994 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.068 -14.872 -11.761 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -9.902 -16.413 -11.763 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -6.887 -16.012 -11.770 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.859 -16.513 -10.401 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -7.342 -18.051 -12.967 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -6.868 -18.496 -11.340 1.00 72.54 H new ATOM 0 HE ARG A 117 -9.498 -18.877 -12.580 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.680 -18.619 -9.563 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.879 -19.519 -8.629 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.032 -20.034 -11.372 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.768 -20.316 -9.648 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.075 -13.895 -14.448 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.177 -13.092 -14.966 1.00 4.21 C ATOM 1873 C VAL A 118 -11.699 -13.659 -16.282 1.00 14.31 C ATOM 1874 O VAL A 118 -12.907 -13.820 -16.464 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.751 -11.628 -15.183 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.904 -10.815 -15.751 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.249 -11.021 -13.882 1.00 2.43 C ATOM 0 H VAL A 118 -9.204 -13.381 -14.318 1.00 41.12 H new ATOM 0 HA VAL A 118 -11.971 -13.125 -14.220 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.934 -11.608 -15.905 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.584 -9.783 -15.898 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.212 -11.239 -16.707 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.743 -10.839 -15.056 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.952 -9.986 -14.054 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.043 -11.052 -13.136 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.391 -11.589 -13.522 1.00 2.43 H new