USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 742 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -1.63 K(o=-0.34,f=-11!) USER MOD Set 1.3: A 65 ASN : amide:sc= 1.29 K(o=-0.34,f=-13!) USER MOD Set 2.1: A 21 TYR OH : rot -157:sc= 1.21 USER MOD Set 2.2: A 28 ASN : amide:sc= -0.0797! C(o=1.1!,f=-4.8!) USER MOD Set 3.1: A 10 THR OG1 : rot 153:sc= 0.81 USER MOD Set 3.2: A 100 HIS : no HE2:sc= -1.54 K(o=-0.73,f=-2) USER MOD Set 4.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 8 SER OG : rot -130:sc= -3.42! USER MOD Set 4.3: A 22 GLN : amide:sc= 0.643 K(o=-2.8,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.141 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.905 K(o=0.9,f=-0.18) USER MOD Single : A 37 GLN : amide:sc= 0.359 K(o=0.36,f=-0.34) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 57 GLN : amide:sc= -0.0235 K(o=-0.024,f=-1.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.747 K(o=0.75,f=-0.71) USER MOD Single : A 70 THR OG1 : rot 95:sc= 0.97 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.34 K(o=1.3,f=-9.3!) USER MOD Single : A 74 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 78 GLN : amide:sc= 1.03 K(o=1,f=-0.37) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.6! C(o=-2.4!,f=-1.6!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.018 -9.202 -7.405 1.00 11.00 N ATOM 2 CA GLY A 1 -14.687 -9.612 -6.985 1.00 43.05 C ATOM 3 C GLY A 1 -13.762 -8.437 -6.957 1.00 64.42 C ATOM 4 O GLY A 1 -14.220 -7.302 -7.102 1.00 22.54 O ATOM 0 H1 GLY A 1 -16.702 -9.420 -6.653 1.00 11.00 H new ATOM 0 H2 GLY A 1 -16.023 -8.179 -7.591 1.00 11.00 H new ATOM 0 H3 GLY A 1 -16.281 -9.713 -8.272 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -14.736 -10.068 -5.996 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -14.301 -10.370 -7.667 1.00 43.05 H new ATOM 10 N HIS A 2 -12.470 -8.704 -6.796 1.00 14.33 N ATOM 11 CA HIS A 2 -11.432 -7.695 -6.681 1.00 42.34 C ATOM 12 C HIS A 2 -11.617 -6.874 -5.416 1.00 32.42 C ATOM 13 O HIS A 2 -12.272 -5.827 -5.419 1.00 61.21 O ATOM 14 CB HIS A 2 -11.318 -6.785 -7.918 1.00 64.11 C ATOM 15 CG HIS A 2 -10.972 -7.489 -9.200 1.00 21.11 C ATOM 16 ND1 HIS A 2 -11.664 -7.317 -10.375 1.00 13.42 N ATOM 17 CD2 HIS A 2 -9.966 -8.345 -9.488 1.00 5.43 C ATOM 18 CE1 HIS A 2 -11.080 -8.053 -11.318 1.00 62.35 C ATOM 19 NE2 HIS A 2 -10.036 -8.702 -10.832 1.00 63.23 N ATOM 0 H HIS A 2 -12.110 -9.657 -6.741 1.00 14.33 H new ATOM 0 HA HIS A 2 -10.488 -8.236 -6.619 1.00 42.34 H new ATOM 0 HB2 HIS A 2 -12.265 -6.262 -8.053 1.00 64.11 H new ATOM 0 HB3 HIS A 2 -10.560 -6.026 -7.723 1.00 64.11 H new ATOM 0 HD2 HIS A 2 -9.225 -8.697 -8.786 1.00 5.43 H new ATOM 0 HE1 HIS A 2 -11.414 -8.112 -12.343 1.00 62.35 H new ATOM 0 HE2 HIS A 2 -9.412 -9.332 -11.336 1.00 63.23 H new ATOM 27 N GLY A 3 -11.103 -7.393 -4.329 1.00 70.51 N ATOM 28 CA GLY A 3 -11.215 -6.719 -3.067 1.00 21.44 C ATOM 29 C GLY A 3 -9.866 -6.443 -2.462 1.00 51.12 C ATOM 30 O GLY A 3 -9.170 -5.498 -2.872 1.00 15.23 O ATOM 0 H GLY A 3 -10.603 -8.281 -4.296 1.00 70.51 H new ATOM 0 HA2 GLY A 3 -11.752 -5.780 -3.202 1.00 21.44 H new ATOM 0 HA3 GLY A 3 -11.804 -7.327 -2.381 1.00 21.44 H new ATOM 34 N SER A 4 -9.463 -7.278 -1.529 1.00 54.33 N ATOM 35 CA SER A 4 -8.220 -7.082 -0.831 1.00 31.15 C ATOM 36 C SER A 4 -6.994 -7.422 -1.682 1.00 44.31 C ATOM 37 O SER A 4 -6.000 -6.685 -1.651 1.00 40.12 O ATOM 38 CB SER A 4 -8.222 -7.875 0.478 1.00 55.41 C ATOM 39 OG SER A 4 -9.343 -7.510 1.280 1.00 34.32 O ATOM 0 H SER A 4 -9.986 -8.104 -1.238 1.00 54.33 H new ATOM 0 HA SER A 4 -8.142 -6.018 -0.606 1.00 31.15 H new ATOM 0 HB2 SER A 4 -8.253 -8.943 0.263 1.00 55.41 H new ATOM 0 HB3 SER A 4 -7.299 -7.687 1.026 1.00 55.41 H new ATOM 0 HG SER A 4 -9.331 -8.026 2.113 1.00 34.32 H new ATOM 45 N ALA A 5 -7.081 -8.526 -2.453 1.00 51.04 N ATOM 46 CA ALA A 5 -5.951 -9.052 -3.246 1.00 2.53 C ATOM 47 C ALA A 5 -4.815 -9.399 -2.284 1.00 14.43 C ATOM 48 O ALA A 5 -3.627 -9.302 -2.605 1.00 33.35 O ATOM 49 CB ALA A 5 -5.502 -8.045 -4.319 1.00 12.43 C ATOM 0 H ALA A 5 -7.935 -9.077 -2.543 1.00 51.04 H new ATOM 0 HA ALA A 5 -6.260 -9.949 -3.783 1.00 2.53 H new ATOM 0 HB1 ALA A 5 -4.669 -8.463 -4.884 1.00 12.43 H new ATOM 0 HB2 ALA A 5 -6.332 -7.839 -4.995 1.00 12.43 H new ATOM 0 HB3 ALA A 5 -5.186 -7.119 -3.839 1.00 12.43 H new ATOM 55 N GLY A 6 -5.221 -9.848 -1.112 1.00 50.34 N ATOM 56 CA GLY A 6 -4.318 -10.111 -0.032 1.00 21.23 C ATOM 57 C GLY A 6 -4.573 -9.122 1.079 1.00 23.13 C ATOM 58 O GLY A 6 -5.472 -9.320 1.882 1.00 31.33 O ATOM 0 H GLY A 6 -6.198 -10.039 -0.891 1.00 50.34 H new ATOM 0 HA2 GLY A 6 -4.455 -11.129 0.333 1.00 21.23 H new ATOM 0 HA3 GLY A 6 -3.287 -10.032 -0.376 1.00 21.23 H new ATOM 62 N THR A 7 -3.834 -8.050 1.101 1.00 0.11 N ATOM 63 CA THR A 7 -4.034 -7.007 2.077 1.00 32.34 C ATOM 64 C THR A 7 -4.363 -5.692 1.368 1.00 23.04 C ATOM 65 O THR A 7 -3.629 -5.261 0.472 1.00 20.32 O ATOM 66 CB THR A 7 -2.767 -6.815 2.963 1.00 74.01 C ATOM 67 OG1 THR A 7 -2.480 -8.024 3.700 1.00 75.33 O ATOM 68 CG2 THR A 7 -2.931 -5.655 3.946 1.00 23.33 C ATOM 0 H THR A 7 -3.074 -7.870 0.444 1.00 0.11 H new ATOM 0 HA THR A 7 -4.864 -7.299 2.720 1.00 32.34 H new ATOM 0 HB THR A 7 -1.939 -6.584 2.293 1.00 74.01 H new ATOM 0 HG1 THR A 7 -1.681 -7.889 4.251 1.00 75.33 H new ATOM 0 HG21 THR A 7 -2.026 -5.555 4.545 1.00 23.33 H new ATOM 0 HG22 THR A 7 -3.105 -4.732 3.393 1.00 23.33 H new ATOM 0 HG23 THR A 7 -3.780 -5.851 4.601 1.00 23.33 H new ATOM 76 N SER A 8 -5.470 -5.087 1.722 1.00 72.33 N ATOM 77 CA SER A 8 -5.782 -3.797 1.196 1.00 53.45 C ATOM 78 C SER A 8 -5.089 -2.770 2.062 1.00 13.51 C ATOM 79 O SER A 8 -5.357 -2.684 3.265 1.00 22.23 O ATOM 80 CB SER A 8 -7.284 -3.536 1.240 1.00 55.31 C ATOM 81 OG SER A 8 -8.013 -4.587 0.654 1.00 10.11 O ATOM 0 H SER A 8 -6.160 -5.470 2.368 1.00 72.33 H new ATOM 0 HA SER A 8 -5.453 -3.740 0.158 1.00 53.45 H new ATOM 0 HB2 SER A 8 -7.601 -3.407 2.275 1.00 55.31 H new ATOM 0 HB3 SER A 8 -7.507 -2.604 0.720 1.00 55.31 H new ATOM 0 HG SER A 8 -8.653 -4.221 0.008 1.00 10.11 H new ATOM 87 N VAL A 9 -4.167 -2.066 1.503 1.00 71.42 N ATOM 88 CA VAL A 9 -3.548 -0.989 2.211 1.00 64.32 C ATOM 89 C VAL A 9 -4.236 0.254 1.746 1.00 43.40 C ATOM 90 O VAL A 9 -4.059 0.684 0.605 1.00 55.53 O ATOM 91 CB VAL A 9 -2.032 -0.900 1.939 1.00 53.22 C ATOM 92 CG1 VAL A 9 -1.401 0.188 2.793 1.00 11.02 C ATOM 93 CG2 VAL A 9 -1.364 -2.233 2.205 1.00 50.42 C ATOM 0 H VAL A 9 -3.821 -2.214 0.555 1.00 71.42 H new ATOM 0 HA VAL A 9 -3.646 -1.138 3.286 1.00 64.32 H new ATOM 0 HB VAL A 9 -1.887 -0.645 0.889 1.00 53.22 H new ATOM 0 HG11 VAL A 9 -0.332 0.237 2.588 1.00 11.02 H new ATOM 0 HG12 VAL A 9 -1.860 1.148 2.557 1.00 11.02 H new ATOM 0 HG13 VAL A 9 -1.559 -0.040 3.847 1.00 11.02 H new ATOM 0 HG21 VAL A 9 -0.295 -2.150 2.008 1.00 50.42 H new ATOM 0 HG22 VAL A 9 -1.520 -2.517 3.246 1.00 50.42 H new ATOM 0 HG23 VAL A 9 -1.796 -2.993 1.553 1.00 50.42 H new ATOM 103 N THR A 10 -5.036 0.787 2.587 1.00 3.24 N ATOM 104 CA THR A 10 -5.864 1.876 2.247 1.00 44.30 C ATOM 105 C THR A 10 -5.436 3.085 3.028 1.00 22.24 C ATOM 106 O THR A 10 -5.412 3.073 4.269 1.00 52.45 O ATOM 107 CB THR A 10 -7.337 1.529 2.541 1.00 51.41 C ATOM 108 OG1 THR A 10 -7.666 0.283 1.892 1.00 53.50 O ATOM 109 CG2 THR A 10 -8.272 2.618 2.025 1.00 35.10 C ATOM 0 H THR A 10 -5.136 0.472 3.552 1.00 3.24 H new ATOM 0 HA THR A 10 -5.771 2.091 1.183 1.00 44.30 H new ATOM 0 HB THR A 10 -7.463 1.446 3.620 1.00 51.41 H new ATOM 0 HG1 THR A 10 -8.385 -0.164 2.386 1.00 53.50 H new ATOM 0 HG21 THR A 10 -9.304 2.346 2.246 1.00 35.10 H new ATOM 0 HG22 THR A 10 -8.033 3.563 2.512 1.00 35.10 H new ATOM 0 HG23 THR A 10 -8.148 2.724 0.947 1.00 35.10 H new ATOM 117 N LEU A 11 -5.050 4.091 2.325 1.00 75.13 N ATOM 118 CA LEU A 11 -4.649 5.294 2.938 1.00 3.31 C ATOM 119 C LEU A 11 -5.826 6.247 3.079 1.00 31.31 C ATOM 120 O LEU A 11 -6.621 6.433 2.146 1.00 3.32 O ATOM 121 CB LEU A 11 -3.384 5.878 2.270 1.00 1.21 C ATOM 122 CG LEU A 11 -3.355 6.009 0.736 1.00 32.03 C ATOM 123 CD1 LEU A 11 -4.180 7.175 0.227 1.00 72.12 C ATOM 124 CD2 LEU A 11 -1.927 6.093 0.228 1.00 51.25 C ATOM 0 H LEU A 11 -5.006 4.096 1.306 1.00 75.13 H new ATOM 0 HA LEU A 11 -4.332 5.095 3.962 1.00 3.31 H new ATOM 0 HB2 LEU A 11 -3.215 6.869 2.690 1.00 1.21 H new ATOM 0 HB3 LEU A 11 -2.537 5.258 2.565 1.00 1.21 H new ATOM 0 HG LEU A 11 -3.817 5.106 0.338 1.00 32.03 H new ATOM 0 HD11 LEU A 11 -4.120 7.216 -0.861 1.00 72.12 H new ATOM 0 HD12 LEU A 11 -5.219 7.045 0.529 1.00 72.12 H new ATOM 0 HD13 LEU A 11 -3.794 8.104 0.646 1.00 72.12 H new ATOM 0 HD21 LEU A 11 -1.932 6.185 -0.858 1.00 51.25 H new ATOM 0 HD22 LEU A 11 -1.436 6.963 0.664 1.00 51.25 H new ATOM 0 HD23 LEU A 11 -1.386 5.191 0.513 1.00 51.25 H new ATOM 136 N GLN A 12 -5.963 6.755 4.268 1.00 44.34 N ATOM 137 CA GLN A 12 -7.058 7.606 4.679 1.00 73.30 C ATOM 138 C GLN A 12 -6.518 9.027 4.796 1.00 60.22 C ATOM 139 O GLN A 12 -5.581 9.279 5.567 1.00 61.42 O ATOM 140 CB GLN A 12 -7.546 7.114 6.061 1.00 23.54 C ATOM 141 CG GLN A 12 -8.986 7.481 6.470 1.00 60.54 C ATOM 142 CD GLN A 12 -9.273 8.967 6.550 1.00 63.43 C ATOM 143 OE1 GLN A 12 -9.704 9.573 5.586 1.00 52.22 O ATOM 144 NE2 GLN A 12 -9.029 9.554 7.694 1.00 1.22 N ATOM 0 H GLN A 12 -5.290 6.585 5.015 1.00 44.34 H new ATOM 0 HA GLN A 12 -7.883 7.580 3.967 1.00 73.30 H new ATOM 0 HB2 GLN A 12 -7.454 6.028 6.085 1.00 23.54 H new ATOM 0 HB3 GLN A 12 -6.869 7.508 6.819 1.00 23.54 H new ATOM 0 HG2 GLN A 12 -9.676 7.032 5.756 1.00 60.54 H new ATOM 0 HG3 GLN A 12 -9.197 7.033 7.441 1.00 60.54 H new ATOM 0 HE21 GLN A 12 -8.668 9.012 8.479 1.00 1.22 H new ATOM 0 HE22 GLN A 12 -9.200 10.554 7.801 1.00 1.22 H new ATOM 153 N LEU A 13 -7.066 9.919 4.030 1.00 61.21 N ATOM 154 CA LEU A 13 -6.661 11.289 4.021 1.00 43.52 C ATOM 155 C LEU A 13 -7.710 12.124 4.682 1.00 2.24 C ATOM 156 O LEU A 13 -8.846 12.210 4.183 1.00 31.34 O ATOM 157 CB LEU A 13 -6.490 11.775 2.585 1.00 15.20 C ATOM 158 CG LEU A 13 -6.175 13.259 2.427 1.00 24.14 C ATOM 159 CD1 LEU A 13 -4.799 13.604 2.973 1.00 51.32 C ATOM 160 CD2 LEU A 13 -6.332 13.699 0.992 1.00 12.20 C ATOM 0 H LEU A 13 -7.824 9.709 3.380 1.00 61.21 H new ATOM 0 HA LEU A 13 -5.715 11.378 4.555 1.00 43.52 H new ATOM 0 HB2 LEU A 13 -5.690 11.200 2.118 1.00 15.20 H new ATOM 0 HB3 LEU A 13 -7.404 11.555 2.034 1.00 15.20 H new ATOM 0 HG LEU A 13 -6.900 13.813 3.022 1.00 24.14 H new ATOM 0 HD11 LEU A 13 -4.612 14.670 2.842 1.00 51.32 H new ATOM 0 HD12 LEU A 13 -4.756 13.356 4.033 1.00 51.32 H new ATOM 0 HD13 LEU A 13 -4.041 13.034 2.436 1.00 51.32 H new ATOM 0 HD21 LEU A 13 -6.101 14.761 0.910 1.00 12.20 H new ATOM 0 HD22 LEU A 13 -5.650 13.129 0.360 1.00 12.20 H new ATOM 0 HD23 LEU A 13 -7.358 13.525 0.668 1.00 12.20 H new ATOM 172 N ASP A 14 -7.363 12.753 5.774 1.00 54.45 N ATOM 173 CA ASP A 14 -8.301 13.620 6.406 1.00 41.12 C ATOM 174 C ASP A 14 -8.133 14.966 5.775 1.00 52.24 C ATOM 175 O ASP A 14 -7.180 15.702 6.059 1.00 60.10 O ATOM 176 CB ASP A 14 -8.089 13.698 7.919 1.00 3.30 C ATOM 177 CG ASP A 14 -9.181 14.494 8.605 1.00 14.12 C ATOM 178 OD1 ASP A 14 -10.234 13.911 8.930 1.00 52.21 O ATOM 179 OD2 ASP A 14 -9.010 15.712 8.839 1.00 3.43 O ATOM 0 H ASP A 14 -6.454 12.679 6.231 1.00 54.45 H new ATOM 0 HA ASP A 14 -9.313 13.239 6.268 1.00 41.12 H new ATOM 0 HB2 ASP A 14 -8.060 12.690 8.333 1.00 3.30 H new ATOM 0 HB3 ASP A 14 -7.122 14.156 8.126 1.00 3.30 H new ATOM 184 N ASP A 15 -9.006 15.239 4.867 1.00 24.22 N ATOM 185 CA ASP A 15 -8.991 16.462 4.099 1.00 54.52 C ATOM 186 C ASP A 15 -10.225 17.284 4.415 1.00 24.32 C ATOM 187 O ASP A 15 -10.274 18.482 4.156 1.00 12.05 O ATOM 188 CB ASP A 15 -9.015 16.116 2.600 1.00 61.23 C ATOM 189 CG ASP A 15 -10.335 15.470 2.170 1.00 21.14 C ATOM 190 OD1 ASP A 15 -10.854 14.586 2.904 1.00 31.41 O ATOM 191 OD2 ASP A 15 -10.868 15.827 1.108 1.00 62.44 O ATOM 0 H ASP A 15 -9.772 14.612 4.623 1.00 24.22 H new ATOM 0 HA ASP A 15 -8.094 17.028 4.349 1.00 54.52 H new ATOM 0 HB2 ASP A 15 -8.851 17.023 2.018 1.00 61.23 H new ATOM 0 HB3 ASP A 15 -8.192 15.439 2.373 1.00 61.23 H new ATOM 196 N GLY A 16 -11.213 16.626 4.962 1.00 63.01 N ATOM 197 CA GLY A 16 -12.468 17.249 5.219 1.00 43.30 C ATOM 198 C GLY A 16 -13.598 16.377 4.760 1.00 62.33 C ATOM 199 O GLY A 16 -14.761 16.633 5.073 1.00 62.10 O ATOM 0 H GLY A 16 -11.163 15.645 5.238 1.00 63.01 H new ATOM 0 HA2 GLY A 16 -12.568 17.450 6.286 1.00 43.30 H new ATOM 0 HA3 GLY A 16 -12.514 18.211 4.708 1.00 43.30 H new ATOM 203 N SER A 17 -13.270 15.371 3.988 1.00 23.12 N ATOM 204 CA SER A 17 -14.239 14.413 3.549 1.00 4.04 C ATOM 205 C SER A 17 -13.806 13.019 3.990 1.00 23.33 C ATOM 206 O SER A 17 -14.643 12.163 4.312 1.00 43.34 O ATOM 207 CB SER A 17 -14.403 14.475 2.020 1.00 20.21 C ATOM 208 OG SER A 17 -15.410 13.574 1.564 1.00 25.51 O ATOM 0 H SER A 17 -12.323 15.198 3.650 1.00 23.12 H new ATOM 0 HA SER A 17 -15.205 14.644 3.998 1.00 4.04 H new ATOM 0 HB2 SER A 17 -14.661 15.491 1.722 1.00 20.21 H new ATOM 0 HB3 SER A 17 -13.454 14.234 1.541 1.00 20.21 H new ATOM 0 HG SER A 17 -15.490 13.639 0.589 1.00 25.51 H new ATOM 214 N GLY A 18 -12.512 12.793 4.012 1.00 11.20 N ATOM 215 CA GLY A 18 -11.999 11.516 4.388 1.00 70.21 C ATOM 216 C GLY A 18 -11.856 10.687 3.163 1.00 31.22 C ATOM 217 O GLY A 18 -12.729 9.867 2.838 1.00 42.23 O ATOM 0 H GLY A 18 -11.802 13.485 3.772 1.00 11.20 H new ATOM 0 HA2 GLY A 18 -11.035 11.626 4.886 1.00 70.21 H new ATOM 0 HA3 GLY A 18 -12.670 11.032 5.097 1.00 70.21 H new ATOM 221 N ARG A 19 -10.806 10.933 2.442 1.00 34.13 N ATOM 222 CA ARG A 19 -10.584 10.263 1.191 1.00 55.50 C ATOM 223 C ARG A 19 -9.822 9.009 1.418 1.00 31.12 C ATOM 224 O ARG A 19 -8.962 8.951 2.287 1.00 44.54 O ATOM 225 CB ARG A 19 -9.818 11.125 0.232 1.00 34.13 C ATOM 226 CG ARG A 19 -10.451 12.472 -0.035 1.00 5.13 C ATOM 227 CD ARG A 19 -9.680 13.238 -1.083 1.00 3.01 C ATOM 228 NE ARG A 19 -10.124 14.639 -1.175 1.00 0.02 N ATOM 229 CZ ARG A 19 -10.012 15.430 -2.251 1.00 22.31 C ATOM 230 NH1 ARG A 19 -9.424 14.980 -3.355 1.00 54.11 N ATOM 231 NH2 ARG A 19 -10.466 16.682 -2.204 1.00 33.10 N ATOM 0 H ARG A 19 -10.079 11.601 2.700 1.00 34.13 H new ATOM 0 HA ARG A 19 -11.560 10.042 0.759 1.00 55.50 H new ATOM 0 HB2 ARG A 19 -8.813 11.280 0.624 1.00 34.13 H new ATOM 0 HB3 ARG A 19 -9.713 10.592 -0.713 1.00 34.13 H new ATOM 0 HG2 ARG A 19 -11.481 12.334 -0.365 1.00 5.13 H new ATOM 0 HG3 ARG A 19 -10.487 13.050 0.889 1.00 5.13 H new ATOM 0 HD2 ARG A 19 -8.617 13.209 -0.845 1.00 3.01 H new ATOM 0 HD3 ARG A 19 -9.804 12.753 -2.051 1.00 3.01 H new ATOM 0 HE ARG A 19 -10.556 15.044 -0.345 1.00 0.02 H new ATOM 0 HH11 ARG A 19 -9.056 14.029 -3.385 1.00 54.11 H new ATOM 0 HH12 ARG A 19 -9.341 15.585 -4.172 1.00 54.11 H new ATOM 0 HH21 ARG A 19 -10.898 17.036 -1.350 1.00 33.10 H new ATOM 0 HH22 ARG A 19 -10.382 17.286 -3.022 1.00 33.10 H new ATOM 245 N THR A 20 -10.109 8.019 0.650 1.00 23.20 N ATOM 246 CA THR A 20 -9.487 6.748 0.831 1.00 12.21 C ATOM 247 C THR A 20 -9.016 6.174 -0.492 1.00 21.41 C ATOM 248 O THR A 20 -9.712 6.271 -1.519 1.00 32.10 O ATOM 249 CB THR A 20 -10.433 5.769 1.568 1.00 52.45 C ATOM 250 OG1 THR A 20 -11.718 5.735 0.918 1.00 64.12 O ATOM 251 CG2 THR A 20 -10.621 6.203 3.009 1.00 51.33 C ATOM 0 H THR A 20 -10.778 8.062 -0.119 1.00 23.20 H new ATOM 0 HA THR A 20 -8.606 6.891 1.456 1.00 12.21 H new ATOM 0 HB THR A 20 -9.984 4.776 1.543 1.00 52.45 H new ATOM 0 HG1 THR A 20 -12.308 5.112 1.391 1.00 64.12 H new ATOM 0 HG21 THR A 20 -11.288 5.505 3.515 1.00 51.33 H new ATOM 0 HG22 THR A 20 -9.656 6.213 3.515 1.00 51.33 H new ATOM 0 HG23 THR A 20 -11.054 7.203 3.034 1.00 51.33 H new ATOM 259 N TYR A 21 -7.825 5.659 -0.491 1.00 72.30 N ATOM 260 CA TYR A 21 -7.256 5.041 -1.656 1.00 4.14 C ATOM 261 C TYR A 21 -6.502 3.777 -1.279 1.00 23.33 C ATOM 262 O TYR A 21 -5.575 3.809 -0.459 1.00 72.03 O ATOM 263 CB TYR A 21 -6.351 6.033 -2.420 1.00 74.44 C ATOM 264 CG TYR A 21 -5.509 5.405 -3.517 1.00 14.12 C ATOM 265 CD1 TYR A 21 -6.095 4.868 -4.650 1.00 51.34 C ATOM 266 CD2 TYR A 21 -4.123 5.329 -3.398 1.00 1.21 C ATOM 267 CE1 TYR A 21 -5.330 4.280 -5.633 1.00 32.33 C ATOM 268 CE2 TYR A 21 -3.352 4.738 -4.378 1.00 70.32 C ATOM 269 CZ TYR A 21 -3.958 4.216 -5.493 1.00 72.33 C ATOM 270 OH TYR A 21 -3.187 3.610 -6.478 1.00 31.15 O ATOM 0 H TYR A 21 -7.212 5.654 0.325 1.00 72.30 H new ATOM 0 HA TYR A 21 -8.068 4.756 -2.325 1.00 4.14 H new ATOM 0 HB2 TYR A 21 -6.976 6.810 -2.860 1.00 74.44 H new ATOM 0 HB3 TYR A 21 -5.688 6.523 -1.707 1.00 74.44 H new ATOM 0 HD1 TYR A 21 -7.168 4.911 -4.765 1.00 51.34 H new ATOM 0 HD2 TYR A 21 -3.643 5.740 -2.522 1.00 1.21 H new ATOM 0 HE1 TYR A 21 -5.803 3.869 -6.513 1.00 32.33 H new ATOM 0 HE2 TYR A 21 -2.279 4.687 -4.268 1.00 70.32 H new ATOM 0 HH TYR A 21 -2.331 3.325 -6.095 1.00 31.15 H new ATOM 280 N GLN A 22 -6.934 2.679 -1.841 1.00 4.05 N ATOM 281 CA GLN A 22 -6.288 1.408 -1.661 1.00 42.44 C ATOM 282 C GLN A 22 -5.131 1.310 -2.645 1.00 64.31 C ATOM 283 O GLN A 22 -5.300 1.552 -3.847 1.00 63.45 O ATOM 284 CB GLN A 22 -7.291 0.277 -1.900 1.00 33.43 C ATOM 285 CG GLN A 22 -6.734 -1.120 -1.683 1.00 53.12 C ATOM 286 CD GLN A 22 -7.767 -2.204 -1.932 1.00 12.32 C ATOM 287 OE1 GLN A 22 -8.969 -2.004 -1.743 1.00 73.11 O ATOM 288 NE2 GLN A 22 -7.318 -3.355 -2.343 1.00 11.45 N ATOM 0 H GLN A 22 -7.756 2.643 -2.445 1.00 4.05 H new ATOM 0 HA GLN A 22 -5.910 1.319 -0.643 1.00 42.44 H new ATOM 0 HB2 GLN A 22 -8.145 0.420 -1.238 1.00 33.43 H new ATOM 0 HB3 GLN A 22 -7.664 0.350 -2.921 1.00 33.43 H new ATOM 0 HG2 GLN A 22 -5.883 -1.275 -2.346 1.00 53.12 H new ATOM 0 HG3 GLN A 22 -6.362 -1.205 -0.662 1.00 53.12 H new ATOM 0 HE21 GLN A 22 -6.318 -3.489 -2.490 1.00 11.45 H new ATOM 0 HE22 GLN A 22 -7.967 -4.123 -2.518 1.00 11.45 H new ATOM 297 N LEU A 23 -3.974 1.008 -2.137 1.00 31.53 N ATOM 298 CA LEU A 23 -2.777 0.872 -2.937 1.00 74.11 C ATOM 299 C LEU A 23 -2.876 -0.321 -3.864 1.00 50.55 C ATOM 300 O LEU A 23 -3.572 -1.300 -3.571 1.00 23.02 O ATOM 301 CB LEU A 23 -1.553 0.703 -2.038 1.00 41.52 C ATOM 302 CG LEU A 23 -1.203 1.877 -1.125 1.00 3.04 C ATOM 303 CD1 LEU A 23 -0.039 1.506 -0.241 1.00 72.43 C ATOM 304 CD2 LEU A 23 -0.857 3.113 -1.937 1.00 24.43 C ATOM 0 H LEU A 23 -3.825 0.845 -1.141 1.00 31.53 H new ATOM 0 HA LEU A 23 -2.673 1.778 -3.533 1.00 74.11 H new ATOM 0 HB2 LEU A 23 -1.708 -0.178 -1.415 1.00 41.52 H new ATOM 0 HB3 LEU A 23 -0.691 0.497 -2.673 1.00 41.52 H new ATOM 0 HG LEU A 23 -2.073 2.103 -0.509 1.00 3.04 H new ATOM 0 HD11 LEU A 23 0.207 2.346 0.408 1.00 72.43 H new ATOM 0 HD12 LEU A 23 -0.306 0.642 0.368 1.00 72.43 H new ATOM 0 HD13 LEU A 23 0.824 1.261 -0.860 1.00 72.43 H new ATOM 0 HD21 LEU A 23 -0.612 3.934 -1.263 1.00 24.43 H new ATOM 0 HD22 LEU A 23 -0.000 2.900 -2.577 1.00 24.43 H new ATOM 0 HD23 LEU A 23 -1.710 3.393 -2.555 1.00 24.43 H new ATOM 316 N ARG A 24 -2.238 -0.216 -4.989 1.00 4.34 N ATOM 317 CA ARG A 24 -2.137 -1.323 -5.906 1.00 42.31 C ATOM 318 C ARG A 24 -0.757 -1.901 -5.755 1.00 63.42 C ATOM 319 O ARG A 24 0.127 -1.219 -5.212 1.00 51.41 O ATOM 320 CB ARG A 24 -2.333 -0.887 -7.359 1.00 45.41 C ATOM 321 CG ARG A 24 -1.322 0.149 -7.845 1.00 24.43 C ATOM 322 CD ARG A 24 -1.212 0.141 -9.355 1.00 2.24 C ATOM 323 NE ARG A 24 -0.654 -1.134 -9.836 1.00 2.05 N ATOM 324 CZ ARG A 24 -1.282 -2.021 -10.618 1.00 70.35 C ATOM 325 NH1 ARG A 24 -2.552 -1.816 -10.990 1.00 31.02 N ATOM 326 NH2 ARG A 24 -0.650 -3.124 -11.008 1.00 11.21 N ATOM 0 H ARG A 24 -1.771 0.635 -5.302 1.00 4.34 H new ATOM 0 HA ARG A 24 -2.917 -2.048 -5.675 1.00 42.31 H new ATOM 0 HB2 ARG A 24 -2.273 -1.766 -8.001 1.00 45.41 H new ATOM 0 HB3 ARG A 24 -3.337 -0.478 -7.471 1.00 45.41 H new ATOM 0 HG2 ARG A 24 -1.621 1.140 -7.505 1.00 24.43 H new ATOM 0 HG3 ARG A 24 -0.346 -0.058 -7.406 1.00 24.43 H new ATOM 0 HD2 ARG A 24 -2.196 0.301 -9.796 1.00 2.24 H new ATOM 0 HD3 ARG A 24 -0.579 0.966 -9.682 1.00 2.24 H new ATOM 0 HE ARG A 24 0.297 -1.362 -9.547 1.00 2.05 H new ATOM 0 HH11 ARG A 24 -3.046 -0.980 -10.677 1.00 31.02 H new ATOM 0 HH12 ARG A 24 -3.025 -2.495 -11.586 1.00 31.02 H new ATOM 0 HH21 ARG A 24 0.311 -3.293 -10.711 1.00 11.21 H new ATOM 0 HH22 ARG A 24 -1.126 -3.801 -11.604 1.00 11.21 H new ATOM 340 N GLU A 25 -0.549 -3.116 -6.218 1.00 12.53 N ATOM 341 CA GLU A 25 0.765 -3.698 -6.151 1.00 1.14 C ATOM 342 C GLU A 25 1.675 -2.983 -7.120 1.00 72.24 C ATOM 343 O GLU A 25 1.237 -2.507 -8.178 1.00 23.52 O ATOM 344 CB GLU A 25 0.764 -5.213 -6.375 1.00 50.34 C ATOM 345 CG GLU A 25 0.337 -5.671 -7.752 1.00 65.43 C ATOM 346 CD GLU A 25 0.423 -7.163 -7.887 1.00 50.24 C ATOM 347 OE1 GLU A 25 1.549 -7.708 -8.004 1.00 3.31 O ATOM 348 OE2 GLU A 25 -0.627 -7.834 -7.838 1.00 32.40 O ATOM 0 H GLU A 25 -1.265 -3.709 -6.638 1.00 12.53 H new ATOM 0 HA GLU A 25 1.143 -3.563 -5.137 1.00 1.14 H new ATOM 0 HB2 GLU A 25 1.768 -5.591 -6.181 1.00 50.34 H new ATOM 0 HB3 GLU A 25 0.103 -5.670 -5.639 1.00 50.34 H new ATOM 0 HG2 GLU A 25 -0.685 -5.346 -7.944 1.00 65.43 H new ATOM 0 HG3 GLU A 25 0.968 -5.200 -8.505 1.00 65.43 H new ATOM 355 N GLY A 26 2.889 -2.867 -6.743 1.00 11.24 N ATOM 356 CA GLY A 26 3.821 -2.114 -7.490 1.00 64.44 C ATOM 357 C GLY A 26 4.047 -0.845 -6.746 1.00 24.00 C ATOM 358 O GLY A 26 3.616 -0.728 -5.590 1.00 13.24 O ATOM 0 H GLY A 26 3.269 -3.296 -5.899 1.00 11.24 H new ATOM 0 HA2 GLY A 26 4.755 -2.664 -7.609 1.00 64.44 H new ATOM 0 HA3 GLY A 26 3.440 -1.912 -8.491 1.00 64.44 H new ATOM 362 N SER A 27 4.671 0.098 -7.325 1.00 0.12 N ATOM 363 CA SER A 27 4.891 1.295 -6.614 1.00 72.31 C ATOM 364 C SER A 27 3.937 2.389 -7.057 1.00 63.24 C ATOM 365 O SER A 27 3.717 2.619 -8.248 1.00 54.15 O ATOM 366 CB SER A 27 6.361 1.708 -6.640 1.00 43.51 C ATOM 367 OG SER A 27 6.866 1.742 -7.967 1.00 14.31 O ATOM 0 H SER A 27 5.036 0.071 -8.277 1.00 0.12 H new ATOM 0 HA SER A 27 4.661 1.112 -5.564 1.00 72.31 H new ATOM 0 HB2 SER A 27 6.473 2.690 -6.181 1.00 43.51 H new ATOM 0 HB3 SER A 27 6.948 1.009 -6.044 1.00 43.51 H new ATOM 0 HG SER A 27 7.808 2.011 -7.952 1.00 14.31 H new ATOM 373 N ASN A 28 3.330 3.008 -6.091 1.00 24.52 N ATOM 374 CA ASN A 28 2.375 4.059 -6.332 1.00 54.03 C ATOM 375 C ASN A 28 3.107 5.355 -6.052 1.00 71.34 C ATOM 376 O ASN A 28 3.485 5.620 -4.908 1.00 5.42 O ATOM 377 CB ASN A 28 1.106 3.930 -5.409 1.00 65.51 C ATOM 378 CG ASN A 28 0.329 2.575 -5.485 1.00 64.11 C ATOM 379 OD1 ASN A 28 -0.911 2.543 -5.389 1.00 41.12 O ATOM 380 ND2 ASN A 28 1.029 1.462 -5.579 1.00 75.04 N ATOM 0 H ASN A 28 3.481 2.800 -5.104 1.00 24.52 H new ATOM 0 HA ASN A 28 2.004 4.011 -7.356 1.00 54.03 H new ATOM 0 HB2 ASN A 28 1.416 4.089 -4.376 1.00 65.51 H new ATOM 0 HB3 ASN A 28 0.416 4.735 -5.662 1.00 65.51 H new ATOM 0 HD21 ASN A 28 0.554 0.559 -5.574 1.00 75.04 H new ATOM 0 HD22 ASN A 28 2.045 1.504 -5.657 1.00 75.04 H new ATOM 387 N ILE A 29 3.374 6.122 -7.084 1.00 31.12 N ATOM 388 CA ILE A 29 4.193 7.323 -6.949 1.00 12.24 C ATOM 389 C ILE A 29 3.328 8.583 -6.822 1.00 20.24 C ATOM 390 O ILE A 29 2.384 8.790 -7.601 1.00 13.30 O ATOM 391 CB ILE A 29 5.180 7.467 -8.154 1.00 25.11 C ATOM 392 CG1 ILE A 29 5.958 6.150 -8.349 1.00 3.32 C ATOM 393 CG2 ILE A 29 6.155 8.630 -7.920 1.00 3.20 C ATOM 394 CD1 ILE A 29 6.883 6.136 -9.548 1.00 33.25 C ATOM 0 H ILE A 29 3.039 5.942 -8.031 1.00 31.12 H new ATOM 0 HA ILE A 29 4.773 7.216 -6.033 1.00 12.24 H new ATOM 0 HB ILE A 29 4.605 7.681 -9.055 1.00 25.11 H new ATOM 0 HG12 ILE A 29 6.545 5.954 -7.452 1.00 3.32 H new ATOM 0 HG13 ILE A 29 5.244 5.333 -8.448 1.00 3.32 H new ATOM 0 HG21 ILE A 29 6.833 8.713 -8.770 1.00 3.20 H new ATOM 0 HG22 ILE A 29 5.594 9.558 -7.811 1.00 3.20 H new ATOM 0 HG23 ILE A 29 6.731 8.445 -7.013 1.00 3.20 H new ATOM 0 HD11 ILE A 29 7.388 5.172 -9.607 1.00 33.25 H new ATOM 0 HD12 ILE A 29 6.303 6.298 -10.457 1.00 33.25 H new ATOM 0 HD13 ILE A 29 7.624 6.928 -9.445 1.00 33.25 H new ATOM 406 N ILE A 30 3.660 9.404 -5.852 1.00 11.04 N ATOM 407 CA ILE A 30 2.971 10.645 -5.576 1.00 3.51 C ATOM 408 C ILE A 30 3.880 11.829 -5.933 1.00 51.22 C ATOM 409 O ILE A 30 5.090 11.828 -5.601 1.00 61.33 O ATOM 410 CB ILE A 30 2.568 10.740 -4.065 1.00 62.44 C ATOM 411 CG1 ILE A 30 1.659 9.557 -3.671 1.00 74.53 C ATOM 412 CG2 ILE A 30 1.910 12.086 -3.747 1.00 75.11 C ATOM 413 CD1 ILE A 30 1.268 9.534 -2.204 1.00 65.23 C ATOM 0 H ILE A 30 4.437 9.223 -5.216 1.00 11.04 H new ATOM 0 HA ILE A 30 2.064 10.674 -6.180 1.00 3.51 H new ATOM 0 HB ILE A 30 3.477 10.679 -3.466 1.00 62.44 H new ATOM 0 HG12 ILE A 30 0.753 9.592 -4.276 1.00 74.53 H new ATOM 0 HG13 ILE A 30 2.169 8.625 -3.914 1.00 74.53 H new ATOM 0 HG21 ILE A 30 1.642 12.120 -2.691 1.00 75.11 H new ATOM 0 HG22 ILE A 30 2.607 12.894 -3.971 1.00 75.11 H new ATOM 0 HG23 ILE A 30 1.012 12.204 -4.353 1.00 75.11 H new ATOM 0 HD11 ILE A 30 0.630 8.672 -2.011 1.00 65.23 H new ATOM 0 HD12 ILE A 30 2.166 9.466 -1.589 1.00 65.23 H new ATOM 0 HD13 ILE A 30 0.728 10.448 -1.957 1.00 65.23 H new ATOM 425 N GLY A 31 3.317 12.797 -6.631 1.00 43.43 N ATOM 426 CA GLY A 31 4.020 13.992 -6.994 1.00 31.23 C ATOM 427 C GLY A 31 3.476 14.559 -8.265 1.00 41.02 C ATOM 428 O GLY A 31 2.457 14.080 -8.768 1.00 24.31 O ATOM 0 H GLY A 31 2.352 12.767 -6.960 1.00 43.43 H new ATOM 0 HA2 GLY A 31 3.933 14.728 -6.195 1.00 31.23 H new ATOM 0 HA3 GLY A 31 5.081 13.774 -7.112 1.00 31.23 H new ATOM 432 N ARG A 32 4.097 15.575 -8.784 1.00 51.25 N ATOM 433 CA ARG A 32 3.677 16.101 -10.056 1.00 50.33 C ATOM 434 C ARG A 32 4.837 15.944 -11.006 1.00 52.12 C ATOM 435 O ARG A 32 5.794 16.716 -10.961 1.00 20.44 O ATOM 436 CB ARG A 32 3.323 17.582 -9.932 1.00 73.41 C ATOM 437 CG ARG A 32 2.278 17.895 -8.879 1.00 43.03 C ATOM 438 CD ARG A 32 1.982 19.379 -8.863 1.00 4.24 C ATOM 439 NE ARG A 32 0.979 19.745 -7.863 1.00 71.32 N ATOM 440 CZ ARG A 32 0.713 20.993 -7.475 1.00 72.33 C ATOM 441 NH1 ARG A 32 1.396 22.008 -7.974 1.00 74.11 N ATOM 442 NH2 ARG A 32 -0.228 21.211 -6.578 1.00 53.55 N ATOM 0 H ARG A 32 4.888 16.055 -8.355 1.00 51.25 H new ATOM 0 HA ARG A 32 2.795 15.569 -10.412 1.00 50.33 H new ATOM 0 HB2 ARG A 32 4.230 18.141 -9.702 1.00 73.41 H new ATOM 0 HB3 ARG A 32 2.965 17.939 -10.898 1.00 73.41 H new ATOM 0 HG2 ARG A 32 1.365 17.337 -9.085 1.00 43.03 H new ATOM 0 HG3 ARG A 32 2.632 17.577 -7.899 1.00 43.03 H new ATOM 0 HD2 ARG A 32 2.903 19.927 -8.665 1.00 4.24 H new ATOM 0 HD3 ARG A 32 1.634 19.686 -9.849 1.00 4.24 H new ATOM 0 HE ARG A 32 0.444 18.991 -7.431 1.00 71.32 H new ATOM 0 HH11 ARG A 32 2.132 21.840 -8.660 1.00 74.11 H new ATOM 0 HH12 ARG A 32 1.188 22.960 -7.673 1.00 74.11 H new ATOM 0 HH21 ARG A 32 -0.749 20.427 -6.184 1.00 53.55 H new ATOM 0 HH22 ARG A 32 -0.435 22.163 -6.278 1.00 53.55 H new ATOM 456 N GLY A 33 4.739 14.985 -11.868 1.00 72.12 N ATOM 457 CA GLY A 33 5.806 14.685 -12.755 1.00 33.41 C ATOM 458 C GLY A 33 5.496 13.496 -13.595 1.00 54.21 C ATOM 459 O GLY A 33 4.420 12.902 -13.460 1.00 71.32 O ATOM 0 H GLY A 33 3.917 14.391 -11.974 1.00 72.12 H new ATOM 0 HA2 GLY A 33 6.001 15.545 -13.396 1.00 33.41 H new ATOM 0 HA3 GLY A 33 6.716 14.501 -12.183 1.00 33.41 H new ATOM 463 N GLN A 34 6.451 13.111 -14.398 1.00 71.04 N ATOM 464 CA GLN A 34 6.325 12.015 -15.345 1.00 60.43 C ATOM 465 C GLN A 34 5.978 10.674 -14.675 1.00 33.54 C ATOM 466 O GLN A 34 5.018 10.017 -15.063 1.00 65.21 O ATOM 467 CB GLN A 34 7.619 11.875 -16.167 1.00 11.34 C ATOM 468 CG GLN A 34 8.865 11.668 -15.317 1.00 24.24 C ATOM 469 CD GLN A 34 10.099 11.340 -16.104 1.00 21.23 C ATOM 470 OE1 GLN A 34 10.272 11.778 -17.243 1.00 44.42 O ATOM 471 NE2 GLN A 34 10.942 10.533 -15.524 1.00 13.20 N ATOM 0 H GLN A 34 7.368 13.558 -14.419 1.00 71.04 H new ATOM 0 HA GLN A 34 5.491 12.263 -16.002 1.00 60.43 H new ATOM 0 HB2 GLN A 34 7.514 11.034 -16.853 1.00 11.34 H new ATOM 0 HB3 GLN A 34 7.750 12.769 -16.777 1.00 11.34 H new ATOM 0 HG2 GLN A 34 9.048 12.571 -14.735 1.00 24.24 H new ATOM 0 HG3 GLN A 34 8.677 10.864 -14.606 1.00 24.24 H new ATOM 0 HE21 GLN A 34 10.757 10.196 -14.579 1.00 13.20 H new ATOM 0 HE22 GLN A 34 11.786 10.239 -16.015 1.00 13.20 H new ATOM 480 N ASP A 35 6.723 10.317 -13.634 1.00 40.41 N ATOM 481 CA ASP A 35 6.615 8.993 -12.999 1.00 55.34 C ATOM 482 C ASP A 35 5.457 8.950 -12.029 1.00 61.30 C ATOM 483 O ASP A 35 4.951 7.879 -11.685 1.00 42.22 O ATOM 484 CB ASP A 35 7.907 8.643 -12.223 1.00 13.12 C ATOM 485 CG ASP A 35 9.178 8.716 -13.048 1.00 61.11 C ATOM 486 OD1 ASP A 35 9.513 7.748 -13.762 1.00 53.21 O ATOM 487 OD2 ASP A 35 9.873 9.756 -12.990 1.00 10.43 O ATOM 0 H ASP A 35 7.417 10.928 -13.203 1.00 40.41 H new ATOM 0 HA ASP A 35 6.455 8.269 -13.798 1.00 55.34 H new ATOM 0 HB2 ASP A 35 8.001 9.321 -11.375 1.00 13.12 H new ATOM 0 HB3 ASP A 35 7.810 7.636 -11.817 1.00 13.12 H new ATOM 492 N ALA A 36 5.027 10.114 -11.610 1.00 64.53 N ATOM 493 CA ALA A 36 4.006 10.236 -10.602 1.00 75.24 C ATOM 494 C ALA A 36 2.635 9.886 -11.135 1.00 35.41 C ATOM 495 O ALA A 36 2.320 10.140 -12.298 1.00 72.21 O ATOM 496 CB ALA A 36 4.007 11.620 -10.021 1.00 3.33 C ATOM 0 H ALA A 36 5.377 11.006 -11.960 1.00 64.53 H new ATOM 0 HA ALA A 36 4.239 9.519 -9.815 1.00 75.24 H new ATOM 0 HB1 ALA A 36 3.230 11.696 -9.261 1.00 3.33 H new ATOM 0 HB2 ALA A 36 4.978 11.824 -9.569 1.00 3.33 H new ATOM 0 HB3 ALA A 36 3.814 12.346 -10.811 1.00 3.33 H new ATOM 502 N GLN A 37 1.847 9.302 -10.283 1.00 74.54 N ATOM 503 CA GLN A 37 0.504 8.897 -10.587 1.00 41.45 C ATOM 504 C GLN A 37 -0.458 9.842 -9.890 1.00 24.33 C ATOM 505 O GLN A 37 -1.296 10.485 -10.514 1.00 23.31 O ATOM 506 CB GLN A 37 0.294 7.484 -10.049 1.00 43.12 C ATOM 507 CG GLN A 37 1.154 6.420 -10.706 1.00 0.12 C ATOM 508 CD GLN A 37 1.188 5.132 -9.908 1.00 52.11 C ATOM 509 OE1 GLN A 37 0.247 4.796 -9.187 1.00 0.35 O ATOM 510 NE2 GLN A 37 2.269 4.405 -10.026 1.00 14.44 N ATOM 0 H GLN A 37 2.128 9.087 -9.327 1.00 74.54 H new ATOM 0 HA GLN A 37 0.331 8.919 -11.663 1.00 41.45 H new ATOM 0 HB2 GLN A 37 0.496 7.484 -8.978 1.00 43.12 H new ATOM 0 HB3 GLN A 37 -0.754 7.214 -10.176 1.00 43.12 H new ATOM 0 HG2 GLN A 37 0.773 6.215 -11.706 1.00 0.12 H new ATOM 0 HG3 GLN A 37 2.169 6.799 -10.823 1.00 0.12 H new ATOM 0 HE21 GLN A 37 3.028 4.715 -10.633 1.00 14.44 H new ATOM 0 HE22 GLN A 37 2.353 3.528 -9.512 1.00 14.44 H new ATOM 519 N PHE A 38 -0.292 9.938 -8.592 1.00 12.23 N ATOM 520 CA PHE A 38 -1.139 10.738 -7.757 1.00 12.10 C ATOM 521 C PHE A 38 -0.514 12.109 -7.549 1.00 63.35 C ATOM 522 O PHE A 38 0.642 12.218 -7.137 1.00 74.01 O ATOM 523 CB PHE A 38 -1.358 10.005 -6.423 1.00 23.41 C ATOM 524 CG PHE A 38 -2.185 10.742 -5.408 1.00 70.44 C ATOM 525 CD1 PHE A 38 -3.555 10.841 -5.542 1.00 54.14 C ATOM 526 CD2 PHE A 38 -1.585 11.315 -4.309 1.00 11.04 C ATOM 527 CE1 PHE A 38 -4.307 11.503 -4.592 1.00 13.01 C ATOM 528 CE2 PHE A 38 -2.317 11.975 -3.364 1.00 61.11 C ATOM 529 CZ PHE A 38 -3.685 12.072 -3.498 1.00 53.40 C ATOM 0 H PHE A 38 0.448 9.453 -8.084 1.00 12.23 H new ATOM 0 HA PHE A 38 -2.108 10.888 -8.233 1.00 12.10 H new ATOM 0 HB2 PHE A 38 -1.836 9.047 -6.629 1.00 23.41 H new ATOM 0 HB3 PHE A 38 -0.384 9.788 -5.984 1.00 23.41 H new ATOM 0 HD1 PHE A 38 -4.043 10.397 -6.397 1.00 54.14 H new ATOM 0 HD2 PHE A 38 -0.514 11.241 -4.192 1.00 11.04 H new ATOM 0 HE1 PHE A 38 -5.379 11.576 -4.704 1.00 13.01 H new ATOM 0 HE2 PHE A 38 -1.824 12.421 -2.512 1.00 61.11 H new ATOM 0 HZ PHE A 38 -4.268 12.590 -2.751 1.00 53.40 H new ATOM 539 N ARG A 39 -1.258 13.135 -7.857 1.00 2.54 N ATOM 540 CA ARG A 39 -0.788 14.497 -7.722 1.00 14.32 C ATOM 541 C ARG A 39 -1.304 15.054 -6.399 1.00 40.54 C ATOM 542 O ARG A 39 -2.403 14.708 -5.976 1.00 72.44 O ATOM 543 CB ARG A 39 -1.368 15.386 -8.830 1.00 35.52 C ATOM 544 CG ARG A 39 -1.404 14.804 -10.236 1.00 51.31 C ATOM 545 CD ARG A 39 -0.046 14.467 -10.790 1.00 43.33 C ATOM 546 NE ARG A 39 -0.152 14.005 -12.180 1.00 71.00 N ATOM 547 CZ ARG A 39 0.839 13.477 -12.891 1.00 12.34 C ATOM 548 NH1 ARG A 39 1.996 13.204 -12.309 1.00 44.11 N ATOM 549 NH2 ARG A 39 0.654 13.192 -14.169 1.00 21.25 N ATOM 0 H ARG A 39 -2.212 13.056 -8.210 1.00 2.54 H new ATOM 0 HA ARG A 39 0.301 14.493 -7.776 1.00 14.32 H new ATOM 0 HB2 ARG A 39 -2.386 15.656 -8.549 1.00 35.52 H new ATOM 0 HB3 ARG A 39 -0.790 16.310 -8.861 1.00 35.52 H new ATOM 0 HG2 ARG A 39 -2.017 13.903 -10.230 1.00 51.31 H new ATOM 0 HG3 ARG A 39 -1.891 15.517 -10.902 1.00 51.31 H new ATOM 0 HD2 ARG A 39 0.600 15.344 -10.741 1.00 43.33 H new ATOM 0 HD3 ARG A 39 0.420 13.694 -10.179 1.00 43.33 H new ATOM 0 HE ARG A 39 -1.059 14.097 -12.637 1.00 71.00 H new ATOM 0 HH11 ARG A 39 2.126 13.399 -11.316 1.00 44.11 H new ATOM 0 HH12 ARG A 39 2.758 12.799 -12.853 1.00 44.11 H new ATOM 0 HH21 ARG A 39 -0.248 13.377 -14.607 1.00 21.25 H new ATOM 0 HH22 ARG A 39 1.413 12.787 -14.716 1.00 21.25 H new ATOM 563 N LEU A 40 -0.522 15.877 -5.745 1.00 24.35 N ATOM 564 CA LEU A 40 -0.996 16.554 -4.556 1.00 35.02 C ATOM 565 C LEU A 40 -1.530 17.928 -4.933 1.00 65.44 C ATOM 566 O LEU A 40 -0.857 18.664 -5.659 1.00 63.50 O ATOM 567 CB LEU A 40 0.092 16.682 -3.489 1.00 12.35 C ATOM 568 CG LEU A 40 0.481 15.406 -2.744 1.00 62.23 C ATOM 569 CD1 LEU A 40 1.583 15.705 -1.757 1.00 32.35 C ATOM 570 CD2 LEU A 40 -0.720 14.827 -2.011 1.00 14.51 C ATOM 0 H LEU A 40 0.438 16.095 -6.010 1.00 24.35 H new ATOM 0 HA LEU A 40 -1.795 15.951 -4.125 1.00 35.02 H new ATOM 0 HB2 LEU A 40 0.987 17.084 -3.963 1.00 12.35 H new ATOM 0 HB3 LEU A 40 -0.237 17.417 -2.755 1.00 12.35 H new ATOM 0 HG LEU A 40 0.833 14.674 -3.471 1.00 62.23 H new ATOM 0 HD11 LEU A 40 1.856 14.791 -1.229 1.00 32.35 H new ATOM 0 HD12 LEU A 40 2.453 16.091 -2.289 1.00 32.35 H new ATOM 0 HD13 LEU A 40 1.237 16.449 -1.040 1.00 32.35 H new ATOM 0 HD21 LEU A 40 -0.423 13.919 -1.487 1.00 14.51 H new ATOM 0 HD22 LEU A 40 -1.093 15.556 -1.292 1.00 14.51 H new ATOM 0 HD23 LEU A 40 -1.505 14.591 -2.729 1.00 14.51 H new ATOM 582 N PRO A 41 -2.743 18.297 -4.468 1.00 12.05 N ATOM 583 CA PRO A 41 -3.375 19.589 -4.800 1.00 53.40 C ATOM 584 C PRO A 41 -2.633 20.781 -4.190 1.00 51.24 C ATOM 585 O PRO A 41 -2.680 21.894 -4.714 1.00 2.34 O ATOM 586 CB PRO A 41 -4.788 19.478 -4.197 1.00 21.30 C ATOM 587 CG PRO A 41 -4.978 18.024 -3.921 1.00 44.34 C ATOM 588 CD PRO A 41 -3.616 17.489 -3.599 1.00 43.12 C ATOM 0 HA PRO A 41 -3.370 19.768 -5.875 1.00 53.40 H new ATOM 0 HB2 PRO A 41 -4.875 20.067 -3.284 1.00 21.30 H new ATOM 0 HB3 PRO A 41 -5.543 19.850 -4.890 1.00 21.30 H new ATOM 0 HG2 PRO A 41 -5.665 17.870 -3.089 1.00 44.34 H new ATOM 0 HG3 PRO A 41 -5.404 17.514 -4.785 1.00 44.34 H new ATOM 0 HD2 PRO A 41 -3.369 17.616 -2.545 1.00 43.12 H new ATOM 0 HD3 PRO A 41 -3.535 16.425 -3.820 1.00 43.12 H new ATOM 596 N ASP A 42 -1.951 20.544 -3.102 1.00 24.23 N ATOM 597 CA ASP A 42 -1.180 21.586 -2.440 1.00 22.44 C ATOM 598 C ASP A 42 0.237 21.594 -2.939 1.00 51.32 C ATOM 599 O ASP A 42 0.659 20.674 -3.645 1.00 35.11 O ATOM 600 CB ASP A 42 -1.199 21.437 -0.916 1.00 25.41 C ATOM 601 CG ASP A 42 -2.504 21.871 -0.288 1.00 25.32 C ATOM 602 OD1 ASP A 42 -3.479 21.084 -0.276 1.00 0.23 O ATOM 603 OD2 ASP A 42 -2.586 23.017 0.186 1.00 15.22 O ATOM 0 H ASP A 42 -1.908 19.633 -2.645 1.00 24.23 H new ATOM 0 HA ASP A 42 -1.652 22.537 -2.685 1.00 22.44 H new ATOM 0 HB2 ASP A 42 -1.008 20.395 -0.658 1.00 25.41 H new ATOM 0 HB3 ASP A 42 -0.386 22.025 -0.490 1.00 25.41 H new ATOM 608 N THR A 43 0.966 22.627 -2.599 1.00 11.33 N ATOM 609 CA THR A 43 2.343 22.739 -2.995 1.00 3.23 C ATOM 610 C THR A 43 3.222 21.973 -1.982 1.00 74.24 C ATOM 611 O THR A 43 2.703 21.319 -1.081 1.00 11.12 O ATOM 612 CB THR A 43 2.776 24.243 -3.112 1.00 14.13 C ATOM 613 OG1 THR A 43 4.098 24.360 -3.680 1.00 62.34 O ATOM 614 CG2 THR A 43 2.748 24.938 -1.755 1.00 43.22 C ATOM 0 H THR A 43 0.622 23.409 -2.043 1.00 11.33 H new ATOM 0 HA THR A 43 2.473 22.296 -3.982 1.00 3.23 H new ATOM 0 HB THR A 43 2.058 24.730 -3.772 1.00 14.13 H new ATOM 0 HG1 THR A 43 4.344 25.306 -3.744 1.00 62.34 H new ATOM 0 HG21 THR A 43 3.053 25.978 -1.872 1.00 43.22 H new ATOM 0 HG22 THR A 43 1.738 24.900 -1.348 1.00 43.22 H new ATOM 0 HG23 THR A 43 3.433 24.433 -1.074 1.00 43.22 H new ATOM 622 N GLY A 44 4.529 22.019 -2.157 1.00 23.42 N ATOM 623 CA GLY A 44 5.426 21.328 -1.259 1.00 1.02 C ATOM 624 C GLY A 44 5.805 19.985 -1.802 1.00 71.53 C ATOM 625 O GLY A 44 6.759 19.336 -1.330 1.00 23.12 O ATOM 0 H GLY A 44 4.990 22.527 -2.912 1.00 23.42 H new ATOM 0 HA2 GLY A 44 6.323 21.927 -1.104 1.00 1.02 H new ATOM 0 HA3 GLY A 44 4.950 21.209 -0.286 1.00 1.02 H new ATOM 629 N VAL A 45 5.080 19.590 -2.800 1.00 0.13 N ATOM 630 CA VAL A 45 5.253 18.343 -3.456 1.00 13.02 C ATOM 631 C VAL A 45 6.245 18.511 -4.614 1.00 11.33 C ATOM 632 O VAL A 45 6.300 19.568 -5.252 1.00 13.14 O ATOM 633 CB VAL A 45 3.873 17.818 -3.968 1.00 71.21 C ATOM 634 CG1 VAL A 45 3.234 18.764 -4.984 1.00 22.43 C ATOM 635 CG2 VAL A 45 3.979 16.416 -4.523 1.00 73.22 C ATOM 0 H VAL A 45 4.324 20.152 -3.191 1.00 0.13 H new ATOM 0 HA VAL A 45 5.656 17.609 -2.758 1.00 13.02 H new ATOM 0 HB VAL A 45 3.214 17.784 -3.100 1.00 71.21 H new ATOM 0 HG11 VAL A 45 2.277 18.356 -5.310 1.00 22.43 H new ATOM 0 HG12 VAL A 45 3.074 19.739 -4.523 1.00 22.43 H new ATOM 0 HG13 VAL A 45 3.894 18.873 -5.845 1.00 22.43 H new ATOM 0 HG21 VAL A 45 2.999 16.086 -4.869 1.00 73.22 H new ATOM 0 HG22 VAL A 45 4.680 16.407 -5.358 1.00 73.22 H new ATOM 0 HG23 VAL A 45 4.334 15.742 -3.743 1.00 73.22 H new ATOM 645 N SER A 46 7.042 17.510 -4.843 1.00 12.31 N ATOM 646 CA SER A 46 7.995 17.515 -5.922 1.00 62.45 C ATOM 647 C SER A 46 7.466 16.654 -7.095 1.00 71.42 C ATOM 648 O SER A 46 6.305 16.215 -7.059 1.00 12.24 O ATOM 649 CB SER A 46 9.321 17.000 -5.382 1.00 24.43 C ATOM 650 OG SER A 46 9.760 17.828 -4.305 1.00 75.21 O ATOM 0 H SER A 46 7.052 16.657 -4.283 1.00 12.31 H new ATOM 0 HA SER A 46 8.143 18.522 -6.311 1.00 62.45 H new ATOM 0 HB2 SER A 46 9.210 15.971 -5.040 1.00 24.43 H new ATOM 0 HB3 SER A 46 10.069 16.993 -6.175 1.00 24.43 H new ATOM 0 HG SER A 46 10.613 17.491 -3.960 1.00 75.21 H new ATOM 656 N ARG A 47 8.282 16.446 -8.143 1.00 53.05 N ATOM 657 CA ARG A 47 7.866 15.593 -9.279 1.00 72.44 C ATOM 658 C ARG A 47 7.675 14.167 -8.820 1.00 61.35 C ATOM 659 O ARG A 47 6.732 13.480 -9.209 1.00 15.11 O ATOM 660 CB ARG A 47 8.838 15.662 -10.476 1.00 71.04 C ATOM 661 CG ARG A 47 10.279 15.332 -10.148 1.00 12.34 C ATOM 662 CD ARG A 47 11.149 15.281 -11.382 1.00 61.12 C ATOM 663 NE ARG A 47 12.526 14.888 -11.049 1.00 62.13 N ATOM 664 CZ ARG A 47 13.491 14.646 -11.944 1.00 72.15 C ATOM 665 NH1 ARG A 47 13.231 14.716 -13.241 1.00 51.32 N ATOM 666 NH2 ARG A 47 14.713 14.322 -11.538 1.00 22.51 N ATOM 0 H ARG A 47 9.216 16.846 -8.231 1.00 53.05 H new ATOM 0 HA ARG A 47 6.914 15.985 -9.638 1.00 72.44 H new ATOM 0 HB2 ARG A 47 8.490 14.975 -11.248 1.00 71.04 H new ATOM 0 HB3 ARG A 47 8.798 16.665 -10.900 1.00 71.04 H new ATOM 0 HG2 ARG A 47 10.673 16.079 -9.459 1.00 12.34 H new ATOM 0 HG3 ARG A 47 10.322 14.371 -9.635 1.00 12.34 H new ATOM 0 HD2 ARG A 47 10.729 14.573 -12.096 1.00 61.12 H new ATOM 0 HD3 ARG A 47 11.154 16.257 -11.866 1.00 61.12 H new ATOM 0 HE ARG A 47 12.764 14.793 -10.062 1.00 62.13 H new ATOM 0 HH11 ARG A 47 12.292 14.955 -13.561 1.00 51.32 H new ATOM 0 HH12 ARG A 47 13.969 14.531 -13.920 1.00 51.32 H new ATOM 0 HH21 ARG A 47 14.919 14.257 -10.541 1.00 22.51 H new ATOM 0 HH22 ARG A 47 15.446 14.138 -12.223 1.00 22.51 H new ATOM 680 N ARG A 48 8.577 13.747 -8.002 1.00 44.00 N ATOM 681 CA ARG A 48 8.512 12.508 -7.325 1.00 24.34 C ATOM 682 C ARG A 48 8.754 12.861 -5.907 1.00 24.14 C ATOM 683 O ARG A 48 9.837 13.300 -5.566 1.00 73.21 O ATOM 684 CB ARG A 48 9.570 11.519 -7.832 1.00 24.12 C ATOM 685 CG ARG A 48 9.350 11.047 -9.263 1.00 55.15 C ATOM 686 CD ARG A 48 10.493 10.163 -9.742 1.00 43.22 C ATOM 687 NE ARG A 48 11.779 10.881 -9.768 1.00 73.15 N ATOM 688 CZ ARG A 48 12.618 10.939 -10.819 1.00 43.23 C ATOM 689 NH1 ARG A 48 12.223 10.558 -12.031 1.00 41.33 N ATOM 690 NH2 ARG A 48 13.838 11.444 -10.661 1.00 41.32 N ATOM 0 H ARG A 48 9.415 14.285 -7.780 1.00 44.00 H new ATOM 0 HA ARG A 48 7.556 12.008 -7.482 1.00 24.34 H new ATOM 0 HB2 ARG A 48 10.552 11.988 -7.763 1.00 24.12 H new ATOM 0 HB3 ARG A 48 9.584 10.651 -7.173 1.00 24.12 H new ATOM 0 HG2 ARG A 48 8.412 10.496 -9.325 1.00 55.15 H new ATOM 0 HG3 ARG A 48 9.256 11.911 -9.921 1.00 55.15 H new ATOM 0 HD2 ARG A 48 10.577 9.295 -9.088 1.00 43.22 H new ATOM 0 HD3 ARG A 48 10.267 9.790 -10.741 1.00 43.22 H new ATOM 0 HE ARG A 48 12.057 11.375 -8.920 1.00 73.15 H new ATOM 0 HH11 ARG A 48 11.273 10.216 -12.174 1.00 41.33 H new ATOM 0 HH12 ARG A 48 12.871 10.608 -12.818 1.00 41.33 H new ATOM 0 HH21 ARG A 48 14.134 11.785 -9.747 1.00 41.32 H new ATOM 0 HH22 ARG A 48 14.478 11.490 -11.454 1.00 41.32 H new ATOM 704 N HIS A 49 7.727 12.793 -5.129 1.00 44.43 N ATOM 705 CA HIS A 49 7.790 13.183 -3.742 1.00 12.45 C ATOM 706 C HIS A 49 7.892 11.957 -2.892 1.00 14.20 C ATOM 707 O HIS A 49 8.585 11.941 -1.894 1.00 31.53 O ATOM 708 CB HIS A 49 6.531 14.004 -3.360 1.00 51.30 C ATOM 709 CG HIS A 49 6.474 14.466 -1.918 1.00 14.13 C ATOM 710 ND1 HIS A 49 6.769 15.757 -1.563 1.00 4.12 N ATOM 711 CD2 HIS A 49 6.138 13.768 -0.803 1.00 4.11 C ATOM 712 CE1 HIS A 49 6.605 15.809 -0.240 1.00 10.24 C ATOM 713 NE2 HIS A 49 6.230 14.628 0.256 1.00 72.42 N ATOM 0 H HIS A 49 6.809 12.464 -5.430 1.00 44.43 H new ATOM 0 HA HIS A 49 8.668 13.808 -3.578 1.00 12.45 H new ATOM 0 HB2 HIS A 49 6.478 14.879 -4.007 1.00 51.30 H new ATOM 0 HB3 HIS A 49 5.647 13.401 -3.566 1.00 51.30 H new ATOM 0 HD1 HIS A 49 7.054 16.517 -2.180 1.00 4.12 H new ATOM 0 HD2 HIS A 49 5.851 12.728 -0.760 1.00 4.11 H new ATOM 0 HE1 HIS A 49 6.757 16.697 0.356 1.00 10.24 H new ATOM 721 N LEU A 50 7.202 10.928 -3.290 1.00 31.34 N ATOM 722 CA LEU A 50 7.186 9.718 -2.536 1.00 2.13 C ATOM 723 C LEU A 50 6.633 8.602 -3.373 1.00 53.05 C ATOM 724 O LEU A 50 5.811 8.836 -4.252 1.00 5.22 O ATOM 725 CB LEU A 50 6.375 9.949 -1.236 1.00 4.25 C ATOM 726 CG LEU A 50 6.122 8.765 -0.311 1.00 52.11 C ATOM 727 CD1 LEU A 50 5.939 9.283 1.091 1.00 14.32 C ATOM 728 CD2 LEU A 50 4.848 8.040 -0.713 1.00 40.00 C ATOM 0 H LEU A 50 6.640 10.908 -4.141 1.00 31.34 H new ATOM 0 HA LEU A 50 8.197 9.426 -2.252 1.00 2.13 H new ATOM 0 HB2 LEU A 50 6.890 10.716 -0.657 1.00 4.25 H new ATOM 0 HB3 LEU A 50 5.406 10.360 -1.520 1.00 4.25 H new ATOM 0 HG LEU A 50 6.967 8.079 -0.374 1.00 52.11 H new ATOM 0 HD11 LEU A 50 5.757 8.447 1.767 1.00 14.32 H new ATOM 0 HD12 LEU A 50 6.839 9.813 1.404 1.00 14.32 H new ATOM 0 HD13 LEU A 50 5.089 9.964 1.119 1.00 14.32 H new ATOM 0 HD21 LEU A 50 4.682 7.197 -0.042 1.00 40.00 H new ATOM 0 HD22 LEU A 50 4.003 8.726 -0.649 1.00 40.00 H new ATOM 0 HD23 LEU A 50 4.944 7.676 -1.736 1.00 40.00 H new ATOM 740 N GLU A 51 7.110 7.419 -3.139 1.00 44.20 N ATOM 741 CA GLU A 51 6.611 6.252 -3.809 1.00 44.34 C ATOM 742 C GLU A 51 6.371 5.155 -2.799 1.00 35.25 C ATOM 743 O GLU A 51 7.191 4.918 -1.908 1.00 30.03 O ATOM 744 CB GLU A 51 7.551 5.779 -4.934 1.00 43.22 C ATOM 745 CG GLU A 51 8.967 5.455 -4.487 1.00 71.13 C ATOM 746 CD GLU A 51 9.874 5.059 -5.636 1.00 45.30 C ATOM 747 OE1 GLU A 51 10.339 5.943 -6.385 1.00 41.22 O ATOM 748 OE2 GLU A 51 10.152 3.843 -5.808 1.00 54.10 O ATOM 0 H GLU A 51 7.861 7.232 -2.475 1.00 44.20 H new ATOM 0 HA GLU A 51 5.667 6.512 -4.288 1.00 44.34 H new ATOM 0 HB2 GLU A 51 7.120 4.893 -5.400 1.00 43.22 H new ATOM 0 HB3 GLU A 51 7.595 6.552 -5.701 1.00 43.22 H new ATOM 0 HG2 GLU A 51 9.390 6.322 -3.980 1.00 71.13 H new ATOM 0 HG3 GLU A 51 8.936 4.644 -3.759 1.00 71.13 H new ATOM 755 N ILE A 52 5.233 4.544 -2.878 1.00 65.43 N ATOM 756 CA ILE A 52 4.938 3.443 -2.015 1.00 44.05 C ATOM 757 C ILE A 52 4.994 2.173 -2.813 1.00 25.21 C ATOM 758 O ILE A 52 4.180 1.970 -3.714 1.00 61.40 O ATOM 759 CB ILE A 52 3.547 3.546 -1.350 1.00 74.14 C ATOM 760 CG1 ILE A 52 3.419 4.850 -0.557 1.00 33.25 C ATOM 761 CG2 ILE A 52 3.351 2.347 -0.433 1.00 21.32 C ATOM 762 CD1 ILE A 52 2.055 5.072 0.071 1.00 32.22 C ATOM 0 H ILE A 52 4.490 4.788 -3.533 1.00 65.43 H new ATOM 0 HA ILE A 52 5.681 3.454 -1.217 1.00 44.05 H new ATOM 0 HB ILE A 52 2.777 3.549 -2.122 1.00 74.14 H new ATOM 0 HG12 ILE A 52 4.173 4.858 0.230 1.00 33.25 H new ATOM 0 HG13 ILE A 52 3.641 5.687 -1.219 1.00 33.25 H new ATOM 0 HG21 ILE A 52 2.372 2.409 0.042 1.00 21.32 H new ATOM 0 HG22 ILE A 52 3.414 1.429 -1.017 1.00 21.32 H new ATOM 0 HG23 ILE A 52 4.127 2.344 0.333 1.00 21.32 H new ATOM 0 HD11 ILE A 52 2.053 6.018 0.613 1.00 32.22 H new ATOM 0 HD12 ILE A 52 1.295 5.100 -0.710 1.00 32.22 H new ATOM 0 HD13 ILE A 52 1.836 4.258 0.762 1.00 32.22 H new ATOM 774 N ARG A 53 5.939 1.340 -2.515 1.00 34.22 N ATOM 775 CA ARG A 53 6.048 0.085 -3.184 1.00 12.11 C ATOM 776 C ARG A 53 5.279 -0.958 -2.424 1.00 54.31 C ATOM 777 O ARG A 53 5.634 -1.331 -1.307 1.00 34.10 O ATOM 778 CB ARG A 53 7.494 -0.356 -3.388 1.00 4.11 C ATOM 779 CG ARG A 53 7.574 -1.755 -3.965 1.00 64.15 C ATOM 780 CD ARG A 53 8.988 -2.235 -4.140 1.00 24.13 C ATOM 781 NE ARG A 53 9.009 -3.653 -4.491 1.00 31.11 N ATOM 782 CZ ARG A 53 9.841 -4.229 -5.359 1.00 71.35 C ATOM 783 NH1 ARG A 53 10.700 -3.493 -6.072 1.00 31.35 N ATOM 784 NH2 ARG A 53 9.794 -5.539 -5.532 1.00 33.50 N ATOM 0 H ARG A 53 6.652 1.509 -1.806 1.00 34.22 H new ATOM 0 HA ARG A 53 5.622 0.208 -4.180 1.00 12.11 H new ATOM 0 HB2 ARG A 53 7.997 0.343 -4.056 1.00 4.11 H new ATOM 0 HB3 ARG A 53 8.023 -0.324 -2.435 1.00 4.11 H new ATOM 0 HG2 ARG A 53 7.040 -2.444 -3.310 1.00 64.15 H new ATOM 0 HG3 ARG A 53 7.067 -1.774 -4.930 1.00 64.15 H new ATOM 0 HD2 ARG A 53 9.481 -1.654 -4.920 1.00 24.13 H new ATOM 0 HD3 ARG A 53 9.549 -2.074 -3.219 1.00 24.13 H new ATOM 0 HE ARG A 53 8.327 -4.256 -4.031 1.00 31.11 H new ATOM 0 HH11 ARG A 53 10.723 -2.480 -5.955 1.00 31.35 H new ATOM 0 HH12 ARG A 53 11.332 -3.945 -6.733 1.00 31.35 H new ATOM 0 HH21 ARG A 53 9.125 -6.100 -5.004 1.00 33.50 H new ATOM 0 HH22 ARG A 53 10.426 -5.989 -6.194 1.00 33.50 H new ATOM 798 N TRP A 54 4.234 -1.398 -3.003 1.00 11.45 N ATOM 799 CA TRP A 54 3.420 -2.373 -2.404 1.00 4.22 C ATOM 800 C TRP A 54 3.645 -3.736 -3.058 1.00 10.25 C ATOM 801 O TRP A 54 3.613 -3.873 -4.287 1.00 60.21 O ATOM 802 CB TRP A 54 1.945 -1.926 -2.445 1.00 65.22 C ATOM 803 CG TRP A 54 0.949 -2.985 -2.020 1.00 1.43 C ATOM 804 CD1 TRP A 54 -0.071 -3.496 -2.763 1.00 73.45 C ATOM 805 CD2 TRP A 54 0.902 -3.679 -0.765 1.00 71.04 C ATOM 806 NE1 TRP A 54 -0.742 -4.450 -2.052 1.00 74.40 N ATOM 807 CE2 TRP A 54 -0.167 -4.584 -0.827 1.00 53.32 C ATOM 808 CE3 TRP A 54 1.655 -3.620 0.393 1.00 51.02 C ATOM 809 CZ2 TRP A 54 -0.493 -5.428 0.229 1.00 74.25 C ATOM 810 CZ3 TRP A 54 1.336 -4.454 1.441 1.00 75.42 C ATOM 811 CH2 TRP A 54 0.271 -5.347 1.357 1.00 60.13 C ATOM 0 H TRP A 54 3.915 -1.086 -3.920 1.00 11.45 H new ATOM 0 HA TRP A 54 3.694 -2.483 -1.355 1.00 4.22 H new ATOM 0 HB2 TRP A 54 1.826 -1.055 -1.800 1.00 65.22 H new ATOM 0 HB3 TRP A 54 1.705 -1.607 -3.459 1.00 65.22 H new ATOM 0 HD1 TRP A 54 -0.315 -3.191 -3.770 1.00 73.45 H new ATOM 0 HE1 TRP A 54 -1.547 -4.979 -2.387 1.00 74.40 H new ATOM 0 HE3 TRP A 54 2.482 -2.930 0.474 1.00 51.02 H new ATOM 0 HZ2 TRP A 54 -1.319 -6.121 0.159 1.00 74.25 H new ATOM 0 HZ3 TRP A 54 1.924 -4.415 2.346 1.00 75.42 H new ATOM 0 HH2 TRP A 54 0.046 -5.986 2.198 1.00 60.13 H new ATOM 822 N ASP A 55 3.920 -4.706 -2.236 1.00 22.34 N ATOM 823 CA ASP A 55 4.094 -6.094 -2.644 1.00 12.31 C ATOM 824 C ASP A 55 3.269 -6.895 -1.696 1.00 31.53 C ATOM 825 O ASP A 55 2.809 -6.347 -0.700 1.00 50.35 O ATOM 826 CB ASP A 55 5.561 -6.579 -2.512 1.00 74.22 C ATOM 827 CG ASP A 55 6.561 -5.864 -3.388 1.00 42.25 C ATOM 828 OD1 ASP A 55 6.721 -6.241 -4.582 1.00 31.24 O ATOM 829 OD2 ASP A 55 7.256 -4.959 -2.888 1.00 23.34 O ATOM 0 H ASP A 55 4.035 -4.563 -1.233 1.00 22.34 H new ATOM 0 HA ASP A 55 3.809 -6.201 -3.691 1.00 12.31 H new ATOM 0 HB2 ASP A 55 5.870 -6.469 -1.473 1.00 74.22 H new ATOM 0 HB3 ASP A 55 5.596 -7.643 -2.744 1.00 74.22 H new ATOM 834 N GLY A 56 3.130 -8.178 -1.928 1.00 74.44 N ATOM 835 CA GLY A 56 2.359 -9.017 -1.023 1.00 71.33 C ATOM 836 C GLY A 56 3.157 -9.379 0.229 1.00 25.31 C ATOM 837 O GLY A 56 3.312 -10.549 0.571 1.00 61.25 O ATOM 0 H GLY A 56 3.534 -8.667 -2.727 1.00 74.44 H new ATOM 0 HA2 GLY A 56 1.445 -8.498 -0.735 1.00 71.33 H new ATOM 0 HA3 GLY A 56 2.058 -9.929 -1.539 1.00 71.33 H new ATOM 841 N GLN A 57 3.673 -8.359 0.880 1.00 3.33 N ATOM 842 CA GLN A 57 4.487 -8.468 2.070 1.00 42.05 C ATOM 843 C GLN A 57 4.093 -7.334 3.009 1.00 23.14 C ATOM 844 O GLN A 57 3.278 -7.509 3.916 1.00 1.32 O ATOM 845 CB GLN A 57 5.987 -8.321 1.725 1.00 24.51 C ATOM 846 CG GLN A 57 6.562 -9.358 0.782 1.00 62.10 C ATOM 847 CD GLN A 57 7.979 -9.012 0.373 1.00 50.23 C ATOM 848 OE1 GLN A 57 8.349 -7.839 0.288 1.00 4.43 O ATOM 849 NE2 GLN A 57 8.779 -10.001 0.131 1.00 71.51 N ATOM 0 H GLN A 57 3.531 -7.394 0.583 1.00 3.33 H new ATOM 0 HA GLN A 57 4.328 -9.444 2.529 1.00 42.05 H new ATOM 0 HB2 GLN A 57 6.142 -7.335 1.286 1.00 24.51 H new ATOM 0 HB3 GLN A 57 6.556 -8.350 2.654 1.00 24.51 H new ATOM 0 HG2 GLN A 57 6.550 -10.336 1.264 1.00 62.10 H new ATOM 0 HG3 GLN A 57 5.934 -9.432 -0.106 1.00 62.10 H new ATOM 0 HE21 GLN A 57 8.442 -10.961 0.210 1.00 71.51 H new ATOM 0 HE22 GLN A 57 9.746 -9.821 -0.139 1.00 71.51 H new ATOM 858 N VAL A 58 4.635 -6.156 2.724 1.00 11.31 N ATOM 859 CA VAL A 58 4.413 -4.931 3.464 1.00 34.55 C ATOM 860 C VAL A 58 4.504 -3.786 2.470 1.00 60.21 C ATOM 861 O VAL A 58 5.039 -3.973 1.356 1.00 41.04 O ATOM 862 CB VAL A 58 5.467 -4.698 4.606 1.00 22.40 C ATOM 863 CG1 VAL A 58 5.372 -5.760 5.694 1.00 65.22 C ATOM 864 CG2 VAL A 58 6.887 -4.637 4.048 1.00 22.22 C ATOM 0 H VAL A 58 5.269 -6.029 1.935 1.00 11.31 H new ATOM 0 HA VAL A 58 3.438 -4.993 3.948 1.00 34.55 H new ATOM 0 HB VAL A 58 5.231 -3.735 5.058 1.00 22.40 H new ATOM 0 HG11 VAL A 58 6.118 -5.561 6.463 1.00 65.22 H new ATOM 0 HG12 VAL A 58 4.377 -5.737 6.139 1.00 65.22 H new ATOM 0 HG13 VAL A 58 5.553 -6.743 5.259 1.00 65.22 H new ATOM 0 HG21 VAL A 58 7.592 -4.475 4.864 1.00 22.22 H new ATOM 0 HG22 VAL A 58 7.122 -5.576 3.547 1.00 22.22 H new ATOM 0 HG23 VAL A 58 6.963 -3.816 3.335 1.00 22.22 H new ATOM 874 N ALA A 59 3.958 -2.649 2.814 1.00 32.24 N ATOM 875 CA ALA A 59 4.010 -1.509 1.936 1.00 53.20 C ATOM 876 C ALA A 59 5.238 -0.684 2.248 1.00 61.50 C ATOM 877 O ALA A 59 5.392 -0.151 3.347 1.00 50.34 O ATOM 878 CB ALA A 59 2.734 -0.689 2.023 1.00 63.34 C ATOM 0 H ALA A 59 3.472 -2.487 3.696 1.00 32.24 H new ATOM 0 HA ALA A 59 4.085 -1.856 0.905 1.00 53.20 H new ATOM 0 HB1 ALA A 59 2.803 0.165 1.349 1.00 63.34 H new ATOM 0 HB2 ALA A 59 1.883 -1.308 1.738 1.00 63.34 H new ATOM 0 HB3 ALA A 59 2.598 -0.334 3.045 1.00 63.34 H new ATOM 884 N LEU A 60 6.108 -0.624 1.304 1.00 73.51 N ATOM 885 CA LEU A 60 7.358 0.065 1.435 1.00 42.05 C ATOM 886 C LEU A 60 7.188 1.545 1.113 1.00 4.33 C ATOM 887 O LEU A 60 6.886 1.921 -0.016 1.00 10.41 O ATOM 888 CB LEU A 60 8.377 -0.579 0.509 1.00 52.44 C ATOM 889 CG LEU A 60 9.778 0.008 0.501 1.00 32.24 C ATOM 890 CD1 LEU A 60 10.427 -0.137 1.871 1.00 32.41 C ATOM 891 CD2 LEU A 60 10.601 -0.680 -0.564 1.00 41.51 C ATOM 0 H LEU A 60 5.974 -1.062 0.392 1.00 73.51 H new ATOM 0 HA LEU A 60 7.711 -0.010 2.463 1.00 42.05 H new ATOM 0 HB2 LEU A 60 8.454 -1.634 0.773 1.00 52.44 H new ATOM 0 HB3 LEU A 60 7.986 -0.533 -0.507 1.00 52.44 H new ATOM 0 HG LEU A 60 9.723 1.073 0.273 1.00 32.24 H new ATOM 0 HD11 LEU A 60 11.430 0.289 1.845 1.00 32.41 H new ATOM 0 HD12 LEU A 60 9.828 0.389 2.615 1.00 32.41 H new ATOM 0 HD13 LEU A 60 10.488 -1.193 2.135 1.00 32.41 H new ATOM 0 HD21 LEU A 60 11.607 -0.261 -0.573 1.00 41.51 H new ATOM 0 HD22 LEU A 60 10.654 -1.747 -0.350 1.00 41.51 H new ATOM 0 HD23 LEU A 60 10.136 -0.528 -1.538 1.00 41.51 H new ATOM 903 N LEU A 61 7.374 2.350 2.105 1.00 23.13 N ATOM 904 CA LEU A 61 7.240 3.775 2.007 1.00 64.40 C ATOM 905 C LEU A 61 8.615 4.347 1.676 1.00 20.43 C ATOM 906 O LEU A 61 9.544 4.228 2.472 1.00 71.23 O ATOM 907 CB LEU A 61 6.705 4.285 3.383 1.00 71.40 C ATOM 908 CG LEU A 61 6.305 5.773 3.584 1.00 74.43 C ATOM 909 CD1 LEU A 61 7.473 6.744 3.455 1.00 11.41 C ATOM 910 CD2 LEU A 61 5.169 6.148 2.654 1.00 24.33 C ATOM 0 H LEU A 61 7.632 2.029 3.038 1.00 23.13 H new ATOM 0 HA LEU A 61 6.545 4.086 1.227 1.00 64.40 H new ATOM 0 HB2 LEU A 61 5.830 3.683 3.628 1.00 71.40 H new ATOM 0 HB3 LEU A 61 7.468 4.056 4.127 1.00 71.40 H new ATOM 0 HG LEU A 61 5.964 5.864 4.615 1.00 74.43 H new ATOM 0 HD11 LEU A 61 7.118 7.763 3.607 1.00 11.41 H new ATOM 0 HD12 LEU A 61 8.228 6.507 4.205 1.00 11.41 H new ATOM 0 HD13 LEU A 61 7.910 6.657 2.460 1.00 11.41 H new ATOM 0 HD21 LEU A 61 4.902 7.193 2.809 1.00 24.33 H new ATOM 0 HD22 LEU A 61 5.482 6.003 1.620 1.00 24.33 H new ATOM 0 HD23 LEU A 61 4.304 5.518 2.863 1.00 24.33 H new ATOM 922 N ALA A 62 8.756 4.906 0.502 1.00 64.40 N ATOM 923 CA ALA A 62 10.005 5.509 0.097 1.00 22.23 C ATOM 924 C ALA A 62 9.798 6.989 -0.176 1.00 3.11 C ATOM 925 O ALA A 62 8.974 7.371 -1.013 1.00 24.24 O ATOM 926 CB ALA A 62 10.571 4.799 -1.122 1.00 63.45 C ATOM 0 H ALA A 62 8.016 4.958 -0.198 1.00 64.40 H new ATOM 0 HA ALA A 62 10.729 5.406 0.905 1.00 22.23 H new ATOM 0 HB1 ALA A 62 11.512 5.267 -1.412 1.00 63.45 H new ATOM 0 HB2 ALA A 62 10.747 3.750 -0.883 1.00 63.45 H new ATOM 0 HB3 ALA A 62 9.861 4.870 -1.946 1.00 63.45 H new ATOM 932 N ASP A 63 10.521 7.801 0.542 1.00 22.24 N ATOM 933 CA ASP A 63 10.424 9.255 0.446 1.00 52.32 C ATOM 934 C ASP A 63 11.405 9.809 -0.564 1.00 73.31 C ATOM 935 O ASP A 63 12.584 9.424 -0.571 1.00 32.12 O ATOM 936 CB ASP A 63 10.712 9.876 1.823 1.00 14.52 C ATOM 937 CG ASP A 63 10.920 11.383 1.784 1.00 13.33 C ATOM 938 OD1 ASP A 63 9.926 12.125 1.851 1.00 74.50 O ATOM 939 OD2 ASP A 63 12.096 11.830 1.731 1.00 34.03 O ATOM 0 H ASP A 63 11.208 7.481 1.224 1.00 22.24 H new ATOM 0 HA ASP A 63 9.416 9.507 0.118 1.00 52.32 H new ATOM 0 HB2 ASP A 63 9.883 9.650 2.494 1.00 14.52 H new ATOM 0 HB3 ASP A 63 11.601 9.406 2.245 1.00 14.52 H new ATOM 944 N LEU A 64 10.935 10.686 -1.422 1.00 51.33 N ATOM 945 CA LEU A 64 11.804 11.382 -2.346 1.00 32.51 C ATOM 946 C LEU A 64 11.625 12.887 -2.146 1.00 31.12 C ATOM 947 O LEU A 64 10.981 13.545 -2.964 1.00 4.10 O ATOM 948 CB LEU A 64 11.455 11.092 -3.844 1.00 14.22 C ATOM 949 CG LEU A 64 11.524 9.668 -4.413 1.00 21.35 C ATOM 950 CD1 LEU A 64 12.876 9.032 -4.200 1.00 42.31 C ATOM 951 CD2 LEU A 64 10.415 8.779 -3.908 1.00 35.44 C ATOM 0 H LEU A 64 9.949 10.936 -1.500 1.00 51.33 H new ATOM 0 HA LEU A 64 12.819 11.039 -2.144 1.00 32.51 H new ATOM 0 HB2 LEU A 64 10.440 11.453 -4.010 1.00 14.22 H new ATOM 0 HB3 LEU A 64 12.117 11.710 -4.451 1.00 14.22 H new ATOM 0 HG LEU A 64 11.377 9.774 -5.488 1.00 21.35 H new ATOM 0 HD11 LEU A 64 12.875 8.026 -4.620 1.00 42.31 H new ATOM 0 HD12 LEU A 64 13.641 9.630 -4.694 1.00 42.31 H new ATOM 0 HD13 LEU A 64 13.089 8.980 -3.132 1.00 42.31 H new ATOM 0 HD21 LEU A 64 10.517 7.786 -4.345 1.00 35.44 H new ATOM 0 HD22 LEU A 64 10.474 8.705 -2.822 1.00 35.44 H new ATOM 0 HD23 LEU A 64 9.451 9.203 -4.191 1.00 35.44 H new ATOM 963 N ASN A 65 12.188 13.440 -1.095 1.00 13.04 N ATOM 964 CA ASN A 65 12.117 14.889 -0.867 1.00 42.51 C ATOM 965 C ASN A 65 12.979 15.244 0.323 1.00 30.24 C ATOM 966 O ASN A 65 12.684 14.879 1.437 1.00 44.13 O ATOM 967 CB ASN A 65 10.650 15.360 -0.626 1.00 34.20 C ATOM 968 CG ASN A 65 10.464 16.881 -0.681 1.00 75.23 C ATOM 969 OD1 ASN A 65 11.355 17.664 -0.341 1.00 74.12 O ATOM 970 ND2 ASN A 65 9.303 17.311 -1.107 1.00 60.11 N ATOM 0 H ASN A 65 12.700 12.922 -0.381 1.00 13.04 H new ATOM 0 HA ASN A 65 12.482 15.399 -1.759 1.00 42.51 H new ATOM 0 HB2 ASN A 65 10.004 14.898 -1.373 1.00 34.20 H new ATOM 0 HB3 ASN A 65 10.319 14.999 0.348 1.00 34.20 H new ATOM 0 HD21 ASN A 65 9.120 18.313 -1.163 1.00 60.11 H new ATOM 0 HD22 ASN A 65 8.582 16.644 -1.383 1.00 60.11 H new ATOM 977 N SER A 66 14.046 15.946 0.087 1.00 62.34 N ATOM 978 CA SER A 66 14.946 16.301 1.154 1.00 4.22 C ATOM 979 C SER A 66 14.496 17.564 1.900 1.00 13.15 C ATOM 980 O SER A 66 14.926 17.822 3.019 1.00 21.20 O ATOM 981 CB SER A 66 16.347 16.457 0.585 1.00 21.44 C ATOM 982 OG SER A 66 16.324 17.224 -0.622 1.00 34.04 O ATOM 0 H SER A 66 14.319 16.287 -0.835 1.00 62.34 H new ATOM 0 HA SER A 66 14.942 15.501 1.894 1.00 4.22 H new ATOM 0 HB2 SER A 66 16.990 16.944 1.318 1.00 21.44 H new ATOM 0 HB3 SER A 66 16.776 15.474 0.388 1.00 21.44 H new ATOM 0 HG SER A 66 17.236 17.314 -0.970 1.00 34.04 H new ATOM 988 N THR A 67 13.624 18.323 1.284 1.00 52.11 N ATOM 989 CA THR A 67 13.160 19.577 1.848 1.00 23.53 C ATOM 990 C THR A 67 11.922 19.359 2.742 1.00 60.32 C ATOM 991 O THR A 67 11.923 19.680 3.920 1.00 42.24 O ATOM 992 CB THR A 67 12.802 20.563 0.708 1.00 61.42 C ATOM 993 OG1 THR A 67 13.853 20.554 -0.278 1.00 55.44 O ATOM 994 CG2 THR A 67 12.641 21.980 1.245 1.00 23.24 C ATOM 0 H THR A 67 13.213 18.094 0.379 1.00 52.11 H new ATOM 0 HA THR A 67 13.961 19.991 2.460 1.00 23.53 H new ATOM 0 HB THR A 67 11.859 20.246 0.262 1.00 61.42 H new ATOM 0 HG1 THR A 67 13.628 21.176 -1.001 1.00 55.44 H new ATOM 0 HG21 THR A 67 12.390 22.653 0.425 1.00 23.24 H new ATOM 0 HG22 THR A 67 11.843 21.999 1.988 1.00 23.24 H new ATOM 0 HG23 THR A 67 13.574 22.302 1.706 1.00 23.24 H new ATOM 1002 N ASN A 68 10.905 18.762 2.167 1.00 73.44 N ATOM 1003 CA ASN A 68 9.598 18.569 2.817 1.00 61.23 C ATOM 1004 C ASN A 68 9.386 17.110 3.118 1.00 75.41 C ATOM 1005 O ASN A 68 8.243 16.620 3.134 1.00 30.53 O ATOM 1006 CB ASN A 68 8.467 19.099 1.923 1.00 50.22 C ATOM 1007 CG ASN A 68 8.560 20.590 1.678 1.00 43.30 C ATOM 1008 OD1 ASN A 68 9.079 21.339 2.501 1.00 50.13 O ATOM 1009 ND2 ASN A 68 8.066 21.029 0.557 1.00 14.41 N ATOM 0 H ASN A 68 10.947 18.385 1.220 1.00 73.44 H new ATOM 0 HA ASN A 68 9.586 19.129 3.752 1.00 61.23 H new ATOM 0 HB2 ASN A 68 8.491 18.576 0.967 1.00 50.22 H new ATOM 0 HB3 ASN A 68 7.507 18.871 2.386 1.00 50.22 H new ATOM 0 HD21 ASN A 68 8.103 22.025 0.339 1.00 14.41 H new ATOM 0 HD22 ASN A 68 7.642 20.377 -0.103 1.00 14.41 H new ATOM 1016 N GLY A 69 10.505 16.437 3.343 1.00 73.45 N ATOM 1017 CA GLY A 69 10.572 15.002 3.568 1.00 20.05 C ATOM 1018 C GLY A 69 9.521 14.433 4.491 1.00 12.45 C ATOM 1019 O GLY A 69 9.127 15.047 5.516 1.00 43.02 O ATOM 0 H GLY A 69 11.419 16.889 3.375 1.00 73.45 H new ATOM 0 HA2 GLY A 69 10.494 14.498 2.605 1.00 20.05 H new ATOM 0 HA3 GLY A 69 11.554 14.762 3.975 1.00 20.05 H new ATOM 1023 N THR A 70 9.077 13.285 4.116 1.00 11.24 N ATOM 1024 CA THR A 70 8.050 12.560 4.767 1.00 52.32 C ATOM 1025 C THR A 70 8.454 12.110 6.181 1.00 1.00 C ATOM 1026 O THR A 70 9.568 11.637 6.438 1.00 72.31 O ATOM 1027 CB THR A 70 7.672 11.364 3.901 1.00 61.05 C ATOM 1028 OG1 THR A 70 7.395 11.844 2.571 1.00 51.12 O ATOM 1029 CG2 THR A 70 6.449 10.664 4.444 1.00 2.44 C ATOM 0 H THR A 70 9.445 12.801 3.297 1.00 11.24 H new ATOM 0 HA THR A 70 7.190 13.217 4.893 1.00 52.32 H new ATOM 0 HB THR A 70 8.495 10.650 3.896 1.00 61.05 H new ATOM 0 HG1 THR A 70 8.202 11.765 2.020 1.00 51.12 H new ATOM 0 HG21 THR A 70 6.203 9.815 3.806 1.00 2.44 H new ATOM 0 HG22 THR A 70 6.651 10.312 5.456 1.00 2.44 H new ATOM 0 HG23 THR A 70 5.610 11.359 4.463 1.00 2.44 H new ATOM 1037 N THR A 71 7.545 12.296 7.081 1.00 1.44 N ATOM 1038 CA THR A 71 7.718 11.948 8.440 1.00 3.04 C ATOM 1039 C THR A 71 6.733 10.804 8.729 1.00 60.01 C ATOM 1040 O THR A 71 5.603 10.844 8.259 1.00 4.35 O ATOM 1041 CB THR A 71 7.320 13.178 9.256 1.00 21.41 C ATOM 1042 OG1 THR A 71 7.699 14.351 8.521 1.00 71.02 O ATOM 1043 CG2 THR A 71 8.035 13.230 10.563 1.00 74.20 C ATOM 0 H THR A 71 6.635 12.708 6.877 1.00 1.44 H new ATOM 0 HA THR A 71 8.737 11.643 8.679 1.00 3.04 H new ATOM 0 HB THR A 71 6.246 13.127 9.437 1.00 21.41 H new ATOM 0 HG1 THR A 71 7.449 15.151 9.030 1.00 71.02 H new ATOM 0 HG21 THR A 71 7.724 14.119 11.113 1.00 74.20 H new ATOM 0 HG22 THR A 71 7.794 12.341 11.145 1.00 74.20 H new ATOM 0 HG23 THR A 71 9.110 13.269 10.388 1.00 74.20 H new ATOM 1051 N VAL A 72 7.138 9.829 9.480 1.00 22.45 N ATOM 1052 CA VAL A 72 6.286 8.695 9.802 1.00 21.03 C ATOM 1053 C VAL A 72 6.109 8.615 11.302 1.00 63.33 C ATOM 1054 O VAL A 72 7.081 8.604 12.034 1.00 71.43 O ATOM 1055 CB VAL A 72 6.857 7.350 9.246 1.00 12.43 C ATOM 1056 CG1 VAL A 72 6.872 7.369 7.729 1.00 1.20 C ATOM 1057 CG2 VAL A 72 8.261 7.101 9.763 1.00 24.31 C ATOM 0 H VAL A 72 8.069 9.783 9.895 1.00 22.45 H new ATOM 0 HA VAL A 72 5.320 8.850 9.322 1.00 21.03 H new ATOM 0 HB VAL A 72 6.209 6.544 9.591 1.00 12.43 H new ATOM 0 HG11 VAL A 72 7.272 6.426 7.357 1.00 1.20 H new ATOM 0 HG12 VAL A 72 5.856 7.504 7.357 1.00 1.20 H new ATOM 0 HG13 VAL A 72 7.498 8.191 7.382 1.00 1.20 H new ATOM 0 HG21 VAL A 72 8.635 6.159 9.361 1.00 24.31 H new ATOM 0 HG22 VAL A 72 8.914 7.915 9.448 1.00 24.31 H new ATOM 0 HG23 VAL A 72 8.244 7.050 10.852 1.00 24.31 H new ATOM 1067 N ASN A 73 4.868 8.683 11.755 1.00 72.15 N ATOM 1068 CA ASN A 73 4.528 8.627 13.196 1.00 34.04 C ATOM 1069 C ASN A 73 5.227 9.756 13.950 1.00 21.12 C ATOM 1070 O ASN A 73 5.536 9.650 15.130 1.00 0.15 O ATOM 1071 CB ASN A 73 4.858 7.244 13.791 1.00 31.32 C ATOM 1072 CG ASN A 73 3.989 6.138 13.209 1.00 72.13 C ATOM 1073 OD1 ASN A 73 2.843 6.373 12.821 1.00 3.32 O ATOM 1074 ND2 ASN A 73 4.516 4.943 13.133 1.00 71.31 N ATOM 0 H ASN A 73 4.056 8.779 11.146 1.00 72.15 H new ATOM 0 HA ASN A 73 3.453 8.770 13.307 1.00 34.04 H new ATOM 0 HB2 ASN A 73 5.907 7.013 13.606 1.00 31.32 H new ATOM 0 HB3 ASN A 73 4.725 7.276 14.872 1.00 31.32 H new ATOM 0 HD21 ASN A 73 3.975 4.171 12.743 1.00 71.31 H new ATOM 0 HD22 ASN A 73 5.468 4.783 13.463 1.00 71.31 H new ATOM 1081 N ASN A 74 5.434 10.856 13.205 1.00 3.34 N ATOM 1082 CA ASN A 74 6.069 12.107 13.661 1.00 54.44 C ATOM 1083 C ASN A 74 7.620 11.950 13.746 1.00 41.53 C ATOM 1084 O ASN A 74 8.312 12.696 14.429 1.00 74.44 O ATOM 1085 CB ASN A 74 5.446 12.613 14.996 1.00 51.32 C ATOM 1086 CG ASN A 74 5.672 14.101 15.266 1.00 32.11 C ATOM 1087 OD1 ASN A 74 4.862 14.945 14.857 1.00 62.25 O ATOM 1088 ND2 ASN A 74 6.734 14.439 15.948 1.00 41.01 N ATOM 0 H ASN A 74 5.151 10.900 12.226 1.00 3.34 H new ATOM 0 HA ASN A 74 5.868 12.878 12.917 1.00 54.44 H new ATOM 0 HB2 ASN A 74 4.374 12.416 14.982 1.00 51.32 H new ATOM 0 HB3 ASN A 74 5.865 12.037 15.821 1.00 51.32 H new ATOM 0 HD21 ASN A 74 6.915 15.421 16.157 1.00 41.01 H new ATOM 0 HD22 ASN A 74 7.382 13.721 16.271 1.00 41.01 H new ATOM 1095 N ALA A 75 8.154 11.006 12.985 1.00 42.33 N ATOM 1096 CA ALA A 75 9.599 10.781 12.925 1.00 61.50 C ATOM 1097 C ALA A 75 10.082 10.831 11.468 1.00 73.22 C ATOM 1098 O ALA A 75 9.612 10.064 10.640 1.00 23.13 O ATOM 1099 CB ALA A 75 9.958 9.451 13.562 1.00 50.01 C ATOM 0 H ALA A 75 7.608 10.378 12.395 1.00 42.33 H new ATOM 0 HA ALA A 75 10.099 11.572 13.484 1.00 61.50 H new ATOM 0 HB1 ALA A 75 11.036 9.301 13.508 1.00 50.01 H new ATOM 0 HB2 ALA A 75 9.643 9.451 14.606 1.00 50.01 H new ATOM 0 HB3 ALA A 75 9.453 8.645 13.030 1.00 50.01 H new ATOM 1105 N PRO A 76 10.969 11.783 11.119 1.00 21.44 N ATOM 1106 CA PRO A 76 11.469 11.933 9.745 1.00 74.12 C ATOM 1107 C PRO A 76 12.329 10.750 9.313 1.00 40.31 C ATOM 1108 O PRO A 76 13.211 10.293 10.067 1.00 53.35 O ATOM 1109 CB PRO A 76 12.285 13.229 9.791 1.00 73.11 C ATOM 1110 CG PRO A 76 12.674 13.384 11.221 1.00 14.42 C ATOM 1111 CD PRO A 76 11.549 12.793 12.026 1.00 45.52 C ATOM 0 HA PRO A 76 10.660 11.967 9.016 1.00 74.12 H new ATOM 0 HB2 PRO A 76 13.162 13.167 9.147 1.00 73.11 H new ATOM 0 HB3 PRO A 76 11.696 14.079 9.447 1.00 73.11 H new ATOM 0 HG2 PRO A 76 13.613 12.870 11.427 1.00 14.42 H new ATOM 0 HG3 PRO A 76 12.824 14.434 11.473 1.00 14.42 H new ATOM 0 HD2 PRO A 76 11.911 12.342 12.950 1.00 45.52 H new ATOM 0 HD3 PRO A 76 10.816 13.549 12.306 1.00 45.52 H new ATOM 1119 N VAL A 77 12.064 10.248 8.119 1.00 43.13 N ATOM 1120 CA VAL A 77 12.750 9.079 7.575 1.00 13.41 C ATOM 1121 C VAL A 77 12.944 9.235 6.074 1.00 35.13 C ATOM 1122 O VAL A 77 12.372 10.137 5.465 1.00 23.43 O ATOM 1123 CB VAL A 77 11.932 7.770 7.803 1.00 50.13 C ATOM 1124 CG1 VAL A 77 11.843 7.401 9.277 1.00 21.05 C ATOM 1125 CG2 VAL A 77 10.537 7.900 7.193 1.00 12.45 C ATOM 0 H VAL A 77 11.362 10.640 7.492 1.00 43.13 H new ATOM 0 HA VAL A 77 13.707 9.008 8.092 1.00 13.41 H new ATOM 0 HB VAL A 77 12.463 6.961 7.301 1.00 50.13 H new ATOM 0 HG11 VAL A 77 11.265 6.484 9.388 1.00 21.05 H new ATOM 0 HG12 VAL A 77 12.846 7.248 9.675 1.00 21.05 H new ATOM 0 HG13 VAL A 77 11.354 8.207 9.825 1.00 21.05 H new ATOM 0 HG21 VAL A 77 9.979 6.979 7.361 1.00 12.45 H new ATOM 0 HG22 VAL A 77 10.011 8.733 7.661 1.00 12.45 H new ATOM 0 HG23 VAL A 77 10.624 8.082 6.122 1.00 12.45 H new ATOM 1135 N GLN A 78 13.740 8.362 5.492 1.00 22.31 N ATOM 1136 CA GLN A 78 13.910 8.337 4.043 1.00 60.23 C ATOM 1137 C GLN A 78 13.092 7.172 3.481 1.00 20.31 C ATOM 1138 O GLN A 78 12.736 7.138 2.296 1.00 32.43 O ATOM 1139 CB GLN A 78 15.394 8.174 3.653 1.00 14.10 C ATOM 1140 CG GLN A 78 16.013 6.843 4.078 1.00 54.44 C ATOM 1141 CD GLN A 78 17.448 6.669 3.637 1.00 44.12 C ATOM 1142 OE1 GLN A 78 18.201 7.632 3.522 1.00 21.45 O ATOM 1143 NE2 GLN A 78 17.831 5.441 3.362 1.00 3.43 N ATOM 0 H GLN A 78 14.282 7.659 5.994 1.00 22.31 H new ATOM 0 HA GLN A 78 13.564 9.283 3.627 1.00 60.23 H new ATOM 0 HB2 GLN A 78 15.487 8.276 2.572 1.00 14.10 H new ATOM 0 HB3 GLN A 78 15.966 8.987 4.100 1.00 14.10 H new ATOM 0 HG2 GLN A 78 15.964 6.760 5.164 1.00 54.44 H new ATOM 0 HG3 GLN A 78 15.416 6.028 3.669 1.00 54.44 H new ATOM 0 HE21 GLN A 78 17.176 4.666 3.470 1.00 3.43 H new ATOM 0 HE22 GLN A 78 18.783 5.263 3.041 1.00 3.43 H new ATOM 1152 N GLU A 79 12.805 6.221 4.350 1.00 34.22 N ATOM 1153 CA GLU A 79 12.073 5.035 4.010 1.00 10.11 C ATOM 1154 C GLU A 79 11.464 4.470 5.283 1.00 31.14 C ATOM 1155 O GLU A 79 11.971 4.739 6.390 1.00 0.15 O ATOM 1156 CB GLU A 79 13.004 4.007 3.361 1.00 23.11 C ATOM 1157 CG GLU A 79 14.137 3.547 4.260 1.00 31.35 C ATOM 1158 CD GLU A 79 15.101 2.667 3.548 1.00 33.40 C ATOM 1159 OE1 GLU A 79 14.830 1.464 3.406 1.00 74.01 O ATOM 1160 OE2 GLU A 79 16.162 3.177 3.100 1.00 12.31 O ATOM 0 H GLU A 79 13.084 6.261 5.330 1.00 34.22 H new ATOM 0 HA GLU A 79 11.285 5.273 3.295 1.00 10.11 H new ATOM 0 HB2 GLU A 79 12.417 3.139 3.060 1.00 23.11 H new ATOM 0 HB3 GLU A 79 13.426 4.437 2.453 1.00 23.11 H new ATOM 0 HG2 GLU A 79 14.664 4.417 4.651 1.00 31.35 H new ATOM 0 HG3 GLU A 79 13.725 3.013 5.116 1.00 31.35 H new ATOM 1167 N TRP A 80 10.406 3.725 5.135 1.00 62.20 N ATOM 1168 CA TRP A 80 9.700 3.141 6.244 1.00 4.20 C ATOM 1169 C TRP A 80 8.851 1.997 5.732 1.00 45.52 C ATOM 1170 O TRP A 80 8.466 1.975 4.573 1.00 52.24 O ATOM 1171 CB TRP A 80 8.826 4.229 6.917 1.00 52.32 C ATOM 1172 CG TRP A 80 7.978 3.791 8.081 1.00 61.43 C ATOM 1173 CD1 TRP A 80 6.654 3.477 8.045 1.00 65.24 C ATOM 1174 CD2 TRP A 80 8.382 3.662 9.447 1.00 72.12 C ATOM 1175 NE1 TRP A 80 6.207 3.158 9.295 1.00 51.32 N ATOM 1176 CE2 TRP A 80 7.244 3.267 10.178 1.00 61.54 C ATOM 1177 CE3 TRP A 80 9.592 3.842 10.126 1.00 64.21 C ATOM 1178 CZ2 TRP A 80 7.279 3.052 11.548 1.00 40.50 C ATOM 1179 CZ3 TRP A 80 9.622 3.629 11.490 1.00 13.54 C ATOM 1180 CH2 TRP A 80 8.471 3.240 12.184 1.00 62.24 C ATOM 0 H TRP A 80 10.001 3.501 4.226 1.00 62.20 H new ATOM 0 HA TRP A 80 10.398 2.753 6.986 1.00 4.20 H new ATOM 0 HB2 TRP A 80 9.482 5.030 7.257 1.00 52.32 H new ATOM 0 HB3 TRP A 80 8.169 4.655 6.159 1.00 52.32 H new ATOM 0 HD1 TRP A 80 6.044 3.480 7.154 1.00 65.24 H new ATOM 0 HE1 TRP A 80 5.254 2.883 9.531 1.00 51.32 H new ATOM 0 HE3 TRP A 80 10.483 4.141 9.595 1.00 64.21 H new ATOM 0 HZ2 TRP A 80 6.396 2.747 12.090 1.00 40.50 H new ATOM 0 HZ3 TRP A 80 10.548 3.765 12.029 1.00 13.54 H new ATOM 0 HH2 TRP A 80 8.528 3.085 13.251 1.00 62.24 H new ATOM 1191 N GLN A 81 8.605 1.046 6.560 1.00 33.04 N ATOM 1192 CA GLN A 81 7.753 -0.048 6.215 1.00 54.40 C ATOM 1193 C GLN A 81 6.382 0.173 6.860 1.00 21.42 C ATOM 1194 O GLN A 81 6.224 0.032 8.064 1.00 71.04 O ATOM 1195 CB GLN A 81 8.385 -1.422 6.594 1.00 1.31 C ATOM 1196 CG GLN A 81 8.742 -1.615 8.076 1.00 54.02 C ATOM 1197 CD GLN A 81 9.920 -0.778 8.582 1.00 10.21 C ATOM 1198 OE1 GLN A 81 10.893 -0.524 7.737 1.00 60.22 O flip ATOM 1199 NE2 GLN A 81 9.951 -0.378 9.746 1.00 12.24 N flip ATOM 0 H GLN A 81 8.989 0.999 7.504 1.00 33.04 H new ATOM 0 HA GLN A 81 7.626 -0.082 5.133 1.00 54.40 H new ATOM 0 HB2 GLN A 81 7.692 -2.211 6.302 1.00 1.31 H new ATOM 0 HB3 GLN A 81 9.290 -1.558 6.002 1.00 1.31 H new ATOM 0 HG2 GLN A 81 7.865 -1.377 8.678 1.00 54.02 H new ATOM 0 HG3 GLN A 81 8.968 -2.668 8.244 1.00 54.02 H new ATOM 0 HE21 GLN A 81 9.180 -0.591 10.379 1.00 12.24 H new ATOM 0 HE22 GLN A 81 10.747 0.167 10.077 1.00 12.24 H new ATOM 1208 N LEU A 82 5.428 0.589 6.049 1.00 43.43 N ATOM 1209 CA LEU A 82 4.067 0.923 6.501 1.00 31.40 C ATOM 1210 C LEU A 82 3.377 -0.233 7.207 1.00 13.21 C ATOM 1211 O LEU A 82 3.501 -1.402 6.797 1.00 1.44 O ATOM 1212 CB LEU A 82 3.197 1.311 5.311 1.00 53.52 C ATOM 1213 CG LEU A 82 3.656 2.498 4.486 1.00 51.15 C ATOM 1214 CD1 LEU A 82 2.717 2.732 3.317 1.00 52.04 C ATOM 1215 CD2 LEU A 82 3.741 3.729 5.343 1.00 61.32 C ATOM 0 H LEU A 82 5.565 0.710 5.046 1.00 43.43 H new ATOM 0 HA LEU A 82 4.180 1.749 7.203 1.00 31.40 H new ATOM 0 HB2 LEU A 82 3.121 0.447 4.650 1.00 53.52 H new ATOM 0 HB3 LEU A 82 2.193 1.521 5.679 1.00 53.52 H new ATOM 0 HG LEU A 82 4.648 2.279 4.091 1.00 51.15 H new ATOM 0 HD11 LEU A 82 3.064 3.588 2.738 1.00 52.04 H new ATOM 0 HD12 LEU A 82 2.699 1.847 2.682 1.00 52.04 H new ATOM 0 HD13 LEU A 82 1.713 2.930 3.691 1.00 52.04 H new ATOM 0 HD21 LEU A 82 4.072 4.572 4.737 1.00 61.32 H new ATOM 0 HD22 LEU A 82 2.760 3.948 5.764 1.00 61.32 H new ATOM 0 HD23 LEU A 82 4.453 3.561 6.151 1.00 61.32 H new ATOM 1227 N ALA A 83 2.672 0.100 8.251 1.00 53.34 N ATOM 1228 CA ALA A 83 1.835 -0.813 8.972 1.00 63.02 C ATOM 1229 C ALA A 83 0.525 -0.099 9.282 1.00 10.13 C ATOM 1230 O ALA A 83 0.428 1.132 9.116 1.00 60.25 O ATOM 1231 CB ALA A 83 2.518 -1.278 10.252 1.00 4.45 C ATOM 0 H ALA A 83 2.665 1.045 8.635 1.00 53.34 H new ATOM 0 HA ALA A 83 1.643 -1.702 8.371 1.00 63.02 H new ATOM 0 HB1 ALA A 83 1.864 -1.970 10.783 1.00 4.45 H new ATOM 0 HB2 ALA A 83 3.453 -1.780 10.004 1.00 4.45 H new ATOM 0 HB3 ALA A 83 2.726 -0.417 10.887 1.00 4.45 H new ATOM 1237 N ASP A 84 -0.476 -0.845 9.697 1.00 31.42 N ATOM 1238 CA ASP A 84 -1.792 -0.289 10.017 1.00 70.44 C ATOM 1239 C ASP A 84 -1.705 0.660 11.200 1.00 35.14 C ATOM 1240 O ASP A 84 -1.286 0.272 12.293 1.00 71.41 O ATOM 1241 CB ASP A 84 -2.801 -1.408 10.327 1.00 32.45 C ATOM 1242 CG ASP A 84 -4.184 -0.890 10.694 1.00 34.11 C ATOM 1243 OD1 ASP A 84 -4.979 -0.571 9.789 1.00 72.12 O ATOM 1244 OD2 ASP A 84 -4.518 -0.808 11.894 1.00 4.53 O ATOM 0 H ASP A 84 -0.410 -1.855 9.825 1.00 31.42 H new ATOM 0 HA ASP A 84 -2.136 0.264 9.143 1.00 70.44 H new ATOM 0 HB2 ASP A 84 -2.885 -2.062 9.459 1.00 32.45 H new ATOM 0 HB3 ASP A 84 -2.419 -2.015 11.148 1.00 32.45 H new ATOM 1249 N GLY A 85 -2.051 1.896 10.974 1.00 1.12 N ATOM 1250 CA GLY A 85 -2.053 2.869 12.031 1.00 22.03 C ATOM 1251 C GLY A 85 -0.851 3.777 12.002 1.00 24.11 C ATOM 1252 O GLY A 85 -0.586 4.492 12.977 1.00 43.25 O ATOM 0 H GLY A 85 -2.337 2.255 10.063 1.00 1.12 H new ATOM 0 HA2 GLY A 85 -2.958 3.472 11.960 1.00 22.03 H new ATOM 0 HA3 GLY A 85 -2.088 2.354 12.991 1.00 22.03 H new ATOM 1256 N ASP A 86 -0.098 3.750 10.918 1.00 34.30 N ATOM 1257 CA ASP A 86 1.044 4.648 10.804 1.00 51.12 C ATOM 1258 C ASP A 86 0.603 5.965 10.230 1.00 34.15 C ATOM 1259 O ASP A 86 -0.204 6.003 9.283 1.00 23.14 O ATOM 1260 CB ASP A 86 2.210 4.066 9.976 1.00 11.04 C ATOM 1261 CG ASP A 86 2.965 2.938 10.656 1.00 74.23 C ATOM 1262 OD1 ASP A 86 2.916 2.815 11.911 1.00 12.44 O ATOM 1263 OD2 ASP A 86 3.661 2.179 9.953 1.00 50.30 O ATOM 0 H ASP A 86 -0.248 3.133 10.120 1.00 34.30 H new ATOM 0 HA ASP A 86 1.431 4.788 11.813 1.00 51.12 H new ATOM 0 HB2 ASP A 86 1.818 3.703 9.026 1.00 11.04 H new ATOM 0 HB3 ASP A 86 2.911 4.868 9.746 1.00 11.04 H new ATOM 1268 N VAL A 87 1.093 7.035 10.805 1.00 23.35 N ATOM 1269 CA VAL A 87 0.739 8.371 10.365 1.00 61.34 C ATOM 1270 C VAL A 87 1.853 8.917 9.493 1.00 62.14 C ATOM 1271 O VAL A 87 2.961 9.170 9.964 1.00 72.30 O ATOM 1272 CB VAL A 87 0.521 9.339 11.566 1.00 71.43 C ATOM 1273 CG1 VAL A 87 -0.003 10.688 11.088 1.00 73.24 C ATOM 1274 CG2 VAL A 87 -0.422 8.731 12.594 1.00 21.24 C ATOM 0 H VAL A 87 1.746 7.010 11.588 1.00 23.35 H new ATOM 0 HA VAL A 87 -0.196 8.304 9.809 1.00 61.34 H new ATOM 0 HB VAL A 87 1.487 9.498 12.046 1.00 71.43 H new ATOM 0 HG11 VAL A 87 -0.147 11.347 11.945 1.00 73.24 H new ATOM 0 HG12 VAL A 87 0.717 11.136 10.403 1.00 73.24 H new ATOM 0 HG13 VAL A 87 -0.954 10.548 10.574 1.00 73.24 H new ATOM 0 HG21 VAL A 87 -0.556 9.428 13.421 1.00 21.24 H new ATOM 0 HG22 VAL A 87 -1.387 8.530 12.129 1.00 21.24 H new ATOM 0 HG23 VAL A 87 0.001 7.799 12.969 1.00 21.24 H new ATOM 1284 N ILE A 88 1.570 9.104 8.249 1.00 31.22 N ATOM 1285 CA ILE A 88 2.544 9.583 7.312 1.00 54.43 C ATOM 1286 C ILE A 88 2.287 11.059 7.042 1.00 53.33 C ATOM 1287 O ILE A 88 1.265 11.439 6.485 1.00 33.12 O ATOM 1288 CB ILE A 88 2.555 8.738 5.979 1.00 73.33 C ATOM 1289 CG1 ILE A 88 3.175 7.328 6.166 1.00 64.45 C ATOM 1290 CG2 ILE A 88 3.272 9.460 4.851 1.00 71.31 C ATOM 1291 CD1 ILE A 88 2.443 6.392 7.106 1.00 62.45 C ATOM 0 H ILE A 88 0.650 8.929 7.844 1.00 31.22 H new ATOM 0 HA ILE A 88 3.537 9.465 7.747 1.00 54.43 H new ATOM 0 HB ILE A 88 1.506 8.614 5.709 1.00 73.33 H new ATOM 0 HG12 ILE A 88 3.239 6.850 5.188 1.00 64.45 H new ATOM 0 HG13 ILE A 88 4.196 7.448 6.529 1.00 64.45 H new ATOM 0 HG21 ILE A 88 3.255 8.841 3.954 1.00 71.31 H new ATOM 0 HG22 ILE A 88 2.771 10.407 4.649 1.00 71.31 H new ATOM 0 HG23 ILE A 88 4.305 9.651 5.140 1.00 71.31 H new ATOM 0 HD11 ILE A 88 2.971 5.439 7.155 1.00 62.45 H new ATOM 0 HD12 ILE A 88 2.401 6.835 8.101 1.00 62.45 H new ATOM 0 HD13 ILE A 88 1.430 6.227 6.739 1.00 62.45 H new ATOM 1303 N ARG A 89 3.190 11.876 7.487 1.00 21.33 N ATOM 1304 CA ARG A 89 3.077 13.301 7.343 1.00 64.54 C ATOM 1305 C ARG A 89 4.055 13.796 6.311 1.00 53.51 C ATOM 1306 O ARG A 89 5.269 13.640 6.453 1.00 45.14 O ATOM 1307 CB ARG A 89 3.293 13.992 8.681 1.00 35.14 C ATOM 1308 CG ARG A 89 2.200 13.703 9.692 1.00 63.31 C ATOM 1309 CD ARG A 89 2.502 14.330 11.038 1.00 62.42 C ATOM 1310 NE ARG A 89 2.759 15.768 10.933 1.00 34.53 N ATOM 1311 CZ ARG A 89 2.183 16.720 11.671 1.00 55.20 C ATOM 1312 NH1 ARG A 89 1.147 16.442 12.442 1.00 42.43 N ATOM 1313 NH2 ARG A 89 2.621 17.963 11.580 1.00 71.31 N ATOM 0 H ARG A 89 4.038 11.573 7.967 1.00 21.33 H new ATOM 0 HA ARG A 89 2.070 13.543 7.003 1.00 64.54 H new ATOM 0 HB2 ARG A 89 4.252 13.677 9.093 1.00 35.14 H new ATOM 0 HB3 ARG A 89 3.353 15.068 8.520 1.00 35.14 H new ATOM 0 HG2 ARG A 89 1.249 14.083 9.319 1.00 63.31 H new ATOM 0 HG3 ARG A 89 2.089 12.625 9.809 1.00 63.31 H new ATOM 0 HD2 ARG A 89 1.662 14.161 11.712 1.00 62.42 H new ATOM 0 HD3 ARG A 89 3.369 13.839 11.479 1.00 62.42 H new ATOM 0 HE ARG A 89 3.438 16.069 10.234 1.00 34.53 H new ATOM 0 HH11 ARG A 89 0.779 15.492 12.478 1.00 42.43 H new ATOM 0 HH12 ARG A 89 0.715 17.178 13.001 1.00 42.43 H new ATOM 0 HH21 ARG A 89 3.392 18.187 10.951 1.00 71.31 H new ATOM 0 HH22 ARG A 89 2.188 18.698 12.139 1.00 71.31 H new ATOM 1327 N LEU A 90 3.536 14.390 5.303 1.00 71.14 N ATOM 1328 CA LEU A 90 4.305 14.858 4.184 1.00 74.35 C ATOM 1329 C LEU A 90 4.025 16.327 3.977 1.00 73.42 C ATOM 1330 O LEU A 90 3.111 16.856 4.606 1.00 32.33 O ATOM 1331 CB LEU A 90 4.057 14.024 2.889 1.00 24.23 C ATOM 1332 CG LEU A 90 2.624 13.954 2.299 1.00 74.53 C ATOM 1333 CD1 LEU A 90 2.679 13.337 0.915 1.00 2.43 C ATOM 1334 CD2 LEU A 90 1.693 13.111 3.167 1.00 63.30 C ATOM 0 H LEU A 90 2.537 14.576 5.219 1.00 71.14 H new ATOM 0 HA LEU A 90 5.363 14.723 4.410 1.00 74.35 H new ATOM 0 HB2 LEU A 90 4.713 14.419 2.113 1.00 24.23 H new ATOM 0 HB3 LEU A 90 4.380 13.002 3.089 1.00 24.23 H new ATOM 0 HG LEU A 90 2.234 14.971 2.259 1.00 74.53 H new ATOM 0 HD11 LEU A 90 1.673 13.287 0.499 1.00 2.43 H new ATOM 0 HD12 LEU A 90 3.309 13.948 0.269 1.00 2.43 H new ATOM 0 HD13 LEU A 90 3.095 12.332 0.981 1.00 2.43 H new ATOM 0 HD21 LEU A 90 0.700 13.088 2.719 1.00 63.30 H new ATOM 0 HD22 LEU A 90 2.083 12.096 3.239 1.00 63.30 H new ATOM 0 HD23 LEU A 90 1.631 13.547 4.164 1.00 63.30 H new ATOM 1346 N GLY A 91 4.867 16.996 3.211 1.00 13.14 N ATOM 1347 CA GLY A 91 4.680 18.412 2.918 1.00 23.32 C ATOM 1348 C GLY A 91 3.238 18.770 2.557 1.00 52.23 C ATOM 1349 O GLY A 91 2.710 18.310 1.547 1.00 20.03 O ATOM 0 H GLY A 91 5.692 16.582 2.777 1.00 13.14 H new ATOM 0 HA2 GLY A 91 4.987 18.999 3.784 1.00 23.32 H new ATOM 0 HA3 GLY A 91 5.334 18.695 2.093 1.00 23.32 H new ATOM 1353 N HIS A 92 2.604 19.533 3.455 1.00 62.54 N ATOM 1354 CA HIS A 92 1.233 20.056 3.315 1.00 62.10 C ATOM 1355 C HIS A 92 0.124 19.003 3.452 1.00 63.14 C ATOM 1356 O HIS A 92 -1.058 19.334 3.289 1.00 54.33 O ATOM 1357 CB HIS A 92 1.037 20.869 2.018 1.00 2.12 C ATOM 1358 CG HIS A 92 1.805 22.157 1.959 1.00 43.33 C ATOM 1359 ND1 HIS A 92 1.219 23.400 2.020 1.00 24.54 N ATOM 1360 CD2 HIS A 92 3.129 22.381 1.791 1.00 31.22 C ATOM 1361 CE1 HIS A 92 2.169 24.314 1.887 1.00 31.52 C ATOM 1362 NE2 HIS A 92 3.359 23.752 1.743 1.00 74.10 N ATOM 0 H HIS A 92 3.044 19.815 4.331 1.00 62.54 H new ATOM 0 HA HIS A 92 1.128 20.725 4.169 1.00 62.10 H new ATOM 0 HB2 HIS A 92 1.329 20.249 1.170 1.00 2.12 H new ATOM 0 HB3 HIS A 92 -0.024 21.090 1.901 1.00 2.12 H new ATOM 0 HD2 HIS A 92 3.887 21.616 1.707 1.00 31.22 H new ATOM 0 HE1 HIS A 92 1.995 25.380 1.895 1.00 31.52 H new ATOM 0 HE2 HIS A 92 4.255 24.224 1.622 1.00 74.10 H new ATOM 1370 N SER A 93 0.454 17.779 3.808 1.00 31.15 N ATOM 1371 CA SER A 93 -0.564 16.753 3.884 1.00 12.12 C ATOM 1372 C SER A 93 -0.224 15.707 4.967 1.00 30.44 C ATOM 1373 O SER A 93 0.908 15.628 5.441 1.00 44.11 O ATOM 1374 CB SER A 93 -0.716 16.098 2.491 1.00 30.03 C ATOM 1375 OG SER A 93 -1.822 15.219 2.432 1.00 11.25 O ATOM 0 H SER A 93 1.398 17.474 4.045 1.00 31.15 H new ATOM 0 HA SER A 93 -1.513 17.204 4.173 1.00 12.12 H new ATOM 0 HB2 SER A 93 -0.832 16.876 1.736 1.00 30.03 H new ATOM 0 HB3 SER A 93 0.195 15.550 2.248 1.00 30.03 H new ATOM 0 HG SER A 93 -1.882 14.829 1.535 1.00 11.25 H new ATOM 1381 N GLU A 94 -1.201 14.933 5.365 1.00 52.10 N ATOM 1382 CA GLU A 94 -1.012 13.874 6.321 1.00 22.11 C ATOM 1383 C GLU A 94 -1.956 12.746 5.980 1.00 74.31 C ATOM 1384 O GLU A 94 -3.162 12.955 5.805 1.00 1.31 O ATOM 1385 CB GLU A 94 -1.167 14.365 7.777 1.00 42.02 C ATOM 1386 CG GLU A 94 -2.515 14.960 8.137 1.00 25.44 C ATOM 1387 CD GLU A 94 -2.488 15.589 9.501 1.00 61.34 C ATOM 1388 OE1 GLU A 94 -2.135 16.783 9.598 1.00 74.43 O ATOM 1389 OE2 GLU A 94 -2.791 14.902 10.509 1.00 5.24 O ATOM 0 H GLU A 94 -2.160 15.022 5.030 1.00 52.10 H new ATOM 0 HA GLU A 94 0.013 13.507 6.258 1.00 22.11 H new ATOM 0 HB2 GLU A 94 -0.972 13.526 8.445 1.00 42.02 H new ATOM 0 HB3 GLU A 94 -0.398 15.113 7.971 1.00 42.02 H new ATOM 0 HG2 GLU A 94 -2.795 15.708 7.395 1.00 25.44 H new ATOM 0 HG3 GLU A 94 -3.278 14.182 8.108 1.00 25.44 H new ATOM 1396 N ILE A 95 -1.411 11.587 5.838 1.00 13.41 N ATOM 1397 CA ILE A 95 -2.146 10.455 5.390 1.00 2.12 C ATOM 1398 C ILE A 95 -2.005 9.320 6.426 1.00 0.13 C ATOM 1399 O ILE A 95 -0.926 9.118 7.004 1.00 23.21 O ATOM 1400 CB ILE A 95 -1.622 10.025 3.973 1.00 70.23 C ATOM 1401 CG1 ILE A 95 -2.509 9.005 3.328 1.00 24.22 C ATOM 1402 CG2 ILE A 95 -0.196 9.531 3.995 1.00 62.11 C ATOM 1403 CD1 ILE A 95 -3.788 9.586 2.819 1.00 24.20 C ATOM 0 H ILE A 95 -0.428 11.396 6.033 1.00 13.41 H new ATOM 0 HA ILE A 95 -3.205 10.695 5.295 1.00 2.12 H new ATOM 0 HB ILE A 95 -1.645 10.934 3.372 1.00 70.23 H new ATOM 0 HG12 ILE A 95 -1.974 8.536 2.502 1.00 24.22 H new ATOM 0 HG13 ILE A 95 -2.734 8.219 4.049 1.00 24.22 H new ATOM 0 HG21 ILE A 95 0.107 9.249 2.987 1.00 62.11 H new ATOM 0 HG22 ILE A 95 0.457 10.322 4.363 1.00 62.11 H new ATOM 0 HG23 ILE A 95 -0.121 8.664 4.652 1.00 62.11 H new ATOM 0 HD11 ILE A 95 -4.389 8.799 2.362 1.00 24.20 H new ATOM 0 HD12 ILE A 95 -4.341 10.030 3.647 1.00 24.20 H new ATOM 0 HD13 ILE A 95 -3.569 10.353 2.076 1.00 24.20 H new ATOM 1415 N ILE A 96 -3.084 8.636 6.708 1.00 50.54 N ATOM 1416 CA ILE A 96 -3.063 7.567 7.680 1.00 41.14 C ATOM 1417 C ILE A 96 -3.201 6.239 6.953 1.00 34.51 C ATOM 1418 O ILE A 96 -4.132 6.045 6.181 1.00 3.35 O ATOM 1419 CB ILE A 96 -4.200 7.700 8.771 1.00 22.34 C ATOM 1420 CG1 ILE A 96 -4.118 9.029 9.568 1.00 51.54 C ATOM 1421 CG2 ILE A 96 -4.167 6.524 9.742 1.00 71.15 C ATOM 1422 CD1 ILE A 96 -4.596 10.271 8.828 1.00 13.12 C ATOM 0 H ILE A 96 -3.994 8.800 6.277 1.00 50.54 H new ATOM 0 HA ILE A 96 -2.113 7.624 8.211 1.00 41.14 H new ATOM 0 HB ILE A 96 -5.143 7.698 8.224 1.00 22.34 H new ATOM 0 HG12 ILE A 96 -4.706 8.922 10.479 1.00 51.54 H new ATOM 0 HG13 ILE A 96 -3.083 9.186 9.873 1.00 51.54 H new ATOM 0 HG21 ILE A 96 -4.959 6.641 10.482 1.00 71.15 H new ATOM 0 HG22 ILE A 96 -4.317 5.594 9.193 1.00 71.15 H new ATOM 0 HG23 ILE A 96 -3.201 6.496 10.246 1.00 71.15 H new ATOM 0 HD11 ILE A 96 -4.495 11.142 9.476 1.00 13.12 H new ATOM 0 HD12 ILE A 96 -3.994 10.414 7.931 1.00 13.12 H new ATOM 0 HD13 ILE A 96 -5.642 10.147 8.547 1.00 13.12 H new ATOM 1434 N VAL A 97 -2.275 5.346 7.178 1.00 21.20 N ATOM 1435 CA VAL A 97 -2.280 4.061 6.514 1.00 45.12 C ATOM 1436 C VAL A 97 -3.060 3.030 7.308 1.00 62.12 C ATOM 1437 O VAL A 97 -2.757 2.773 8.472 1.00 52.20 O ATOM 1438 CB VAL A 97 -0.834 3.561 6.272 1.00 2.51 C ATOM 1439 CG1 VAL A 97 -0.824 2.127 5.759 1.00 3.30 C ATOM 1440 CG2 VAL A 97 -0.153 4.461 5.268 1.00 31.43 C ATOM 0 H VAL A 97 -1.497 5.483 7.823 1.00 21.20 H new ATOM 0 HA VAL A 97 -2.773 4.194 5.551 1.00 45.12 H new ATOM 0 HB VAL A 97 -0.299 3.587 7.221 1.00 2.51 H new ATOM 0 HG11 VAL A 97 0.205 1.805 5.599 1.00 3.30 H new ATOM 0 HG12 VAL A 97 -1.298 1.475 6.492 1.00 3.30 H new ATOM 0 HG13 VAL A 97 -1.372 2.073 4.818 1.00 3.30 H new ATOM 0 HG21 VAL A 97 0.865 4.110 5.097 1.00 31.43 H new ATOM 0 HG22 VAL A 97 -0.706 4.443 4.329 1.00 31.43 H new ATOM 0 HG23 VAL A 97 -0.126 5.480 5.653 1.00 31.43 H new ATOM 1450 N ARG A 98 -4.074 2.465 6.698 1.00 4.34 N ATOM 1451 CA ARG A 98 -4.841 1.421 7.309 1.00 3.02 C ATOM 1452 C ARG A 98 -4.765 0.189 6.456 1.00 74.20 C ATOM 1453 O ARG A 98 -4.577 0.274 5.243 1.00 52.14 O ATOM 1454 CB ARG A 98 -6.300 1.818 7.504 1.00 72.04 C ATOM 1455 CG ARG A 98 -6.527 3.072 8.330 1.00 12.42 C ATOM 1456 CD ARG A 98 -5.834 3.029 9.693 1.00 31.20 C ATOM 1457 NE ARG A 98 -6.109 1.804 10.452 1.00 23.11 N ATOM 1458 CZ ARG A 98 -6.915 1.706 11.509 1.00 42.02 C ATOM 1459 NH1 ARG A 98 -7.736 2.699 11.828 1.00 54.52 N ATOM 1460 NH2 ARG A 98 -6.899 0.601 12.233 1.00 73.34 N ATOM 0 H ARG A 98 -4.387 2.721 5.761 1.00 4.34 H new ATOM 0 HA ARG A 98 -4.419 1.230 8.296 1.00 3.02 H new ATOM 0 HB2 ARG A 98 -6.754 1.961 6.524 1.00 72.04 H new ATOM 0 HB3 ARG A 98 -6.824 0.989 7.980 1.00 72.04 H new ATOM 0 HG2 ARG A 98 -6.166 3.937 7.773 1.00 12.42 H new ATOM 0 HG3 ARG A 98 -7.598 3.213 8.478 1.00 12.42 H new ATOM 0 HD2 ARG A 98 -4.758 3.123 9.547 1.00 31.20 H new ATOM 0 HD3 ARG A 98 -6.152 3.890 10.281 1.00 31.20 H new ATOM 0 HE ARG A 98 -5.642 0.951 10.143 1.00 23.11 H new ATOM 0 HH11 ARG A 98 -7.754 3.547 11.262 1.00 54.52 H new ATOM 0 HH12 ARG A 98 -8.349 2.614 12.639 1.00 54.52 H new ATOM 0 HH21 ARG A 98 -6.275 -0.165 11.981 1.00 73.34 H new ATOM 0 HH22 ARG A 98 -7.511 0.514 13.044 1.00 73.34 H new ATOM 1474 N MET A 99 -4.878 -0.937 7.072 1.00 14.32 N ATOM 1475 CA MET A 99 -4.809 -2.196 6.359 1.00 70.13 C ATOM 1476 C MET A 99 -6.023 -3.054 6.627 1.00 43.01 C ATOM 1477 O MET A 99 -6.611 -3.016 7.721 1.00 31.24 O ATOM 1478 CB MET A 99 -3.525 -2.973 6.673 1.00 31.24 C ATOM 1479 CG MET A 99 -2.255 -2.287 6.203 1.00 42.12 C ATOM 1480 SD MET A 99 -0.780 -3.286 6.473 1.00 15.03 S ATOM 1481 CE MET A 99 0.470 -2.216 5.772 1.00 53.24 C ATOM 0 H MET A 99 -5.020 -1.027 8.078 1.00 14.32 H new ATOM 0 HA MET A 99 -4.792 -1.947 5.298 1.00 70.13 H new ATOM 0 HB2 MET A 99 -3.463 -3.131 7.750 1.00 31.24 H new ATOM 0 HB3 MET A 99 -3.586 -3.958 6.209 1.00 31.24 H new ATOM 0 HG2 MET A 99 -2.343 -2.057 5.141 1.00 42.12 H new ATOM 0 HG3 MET A 99 -2.146 -1.337 6.726 1.00 42.12 H new ATOM 0 HE1 MET A 99 1.447 -2.691 5.860 1.00 53.24 H new ATOM 0 HE2 MET A 99 0.247 -2.037 4.720 1.00 53.24 H new ATOM 0 HE3 MET A 99 0.479 -1.267 6.308 1.00 53.24 H new ATOM 1491 N HIS A 100 -6.421 -3.781 5.628 1.00 11.24 N ATOM 1492 CA HIS A 100 -7.539 -4.688 5.711 1.00 3.04 C ATOM 1493 C HIS A 100 -6.993 -6.088 5.830 1.00 12.24 C ATOM 1494 O HIS A 100 -7.139 -6.695 6.898 1.00 11.30 O ATOM 1495 CB HIS A 100 -8.456 -4.581 4.477 1.00 2.50 C ATOM 1496 CG HIS A 100 -9.076 -3.215 4.249 1.00 60.31 C ATOM 1497 ND1 HIS A 100 -10.425 -2.999 4.091 1.00 54.05 N ATOM 1498 CD2 HIS A 100 -8.490 -1.998 4.093 1.00 75.45 C ATOM 1499 CE1 HIS A 100 -10.617 -1.703 3.845 1.00 13.22 C ATOM 1500 NE2 HIS A 100 -9.467 -1.045 3.837 1.00 41.43 N ATOM 1501 OXT HIS A 100 -6.326 -6.559 4.876 1.00 38.66 O ATOM 0 H HIS A 100 -5.973 -3.765 4.712 1.00 11.24 H new ATOM 0 HA HIS A 100 -8.144 -4.431 6.580 1.00 3.04 H new ATOM 0 HB2 HIS A 100 -7.881 -4.853 3.592 1.00 2.50 H new ATOM 0 HB3 HIS A 100 -9.257 -5.314 4.575 1.00 2.50 H new ATOM 0 HD1 HIS A 100 -11.154 -3.709 4.152 1.00 54.05 H new ATOM 0 HD2 HIS A 100 -7.430 -1.803 4.158 1.00 75.45 H new ATOM 0 HE1 HIS A 100 -11.582 -1.249 3.675 1.00 13.22 H new TER 1509 HIS A 100