USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -140:sc= -0.36 (180deg=-1.5!) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0 (180deg=-0.117) USER MOD Single : A 3 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 6 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.059) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.237 (180deg=-0.748) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -119:sc= -0.538 USER MOD Single : A 42 GLN : amide:sc= -1.51! C(o=-1.5!,f=-4.5!) USER MOD Single : A 43 SER OG : rot 29:sc= 0.729 USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.204) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 121:sc= 0.0126 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.017 (180deg=-0.19) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.57 K(o=-1.6,f=-9.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -123:sc= -2.5! USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= -0.0518 (180deg=-0.716) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.935 7.675 3.216 1.00 5.02 N ATOM 2 CA MET A 1 18.245 8.369 4.492 1.00 4.66 C ATOM 3 C MET A 1 17.060 9.204 4.970 1.00 4.42 C ATOM 4 O MET A 1 16.945 10.384 4.637 1.00 4.63 O ATOM 5 CB MET A 1 19.470 9.261 4.279 1.00 4.39 C ATOM 6 CG MET A 1 20.778 8.490 4.202 1.00 4.63 C ATOM 7 SD MET A 1 21.446 8.093 5.829 1.00 5.44 S ATOM 8 CE MET A 1 21.657 9.732 6.517 1.00 5.68 C ATOM 0 H1 MET A 1 18.316 6.708 3.246 1.00 5.02 H new ATOM 0 H2 MET A 1 16.904 7.638 3.083 1.00 5.02 H new ATOM 0 H3 MET A 1 18.368 8.193 2.425 1.00 5.02 H new ATOM 0 HA MET A 1 18.452 7.625 5.261 1.00 4.66 H new ATOM 0 HB2 MET A 1 19.339 9.830 3.359 1.00 4.39 H new ATOM 0 HB3 MET A 1 19.530 9.982 5.094 1.00 4.39 H new ATOM 0 HG2 MET A 1 20.619 7.567 3.644 1.00 4.63 H new ATOM 0 HG3 MET A 1 21.509 9.077 3.646 1.00 4.63 H new ATOM 0 HE1 MET A 1 22.592 9.774 7.076 1.00 5.68 H new ATOM 0 HE2 MET A 1 21.683 10.465 5.710 1.00 5.68 H new ATOM 0 HE3 MET A 1 20.825 9.957 7.184 1.00 5.68 H new ATOM 20 N GLY A 2 16.187 8.584 5.757 1.00 4.11 N ATOM 21 CA GLY A 2 15.025 9.281 6.279 1.00 4.01 C ATOM 22 C GLY A 2 13.946 9.524 5.235 1.00 3.33 C ATOM 23 O GLY A 2 12.965 10.216 5.506 1.00 3.34 O ATOM 0 H GLY A 2 16.264 7.608 6.044 1.00 4.11 H new ATOM 0 HA2 GLY A 2 14.602 8.702 7.100 1.00 4.01 H new ATOM 0 HA3 GLY A 2 15.341 10.238 6.694 1.00 4.01 H new ATOM 27 N GLN A 3 14.121 8.960 4.042 1.00 2.87 N ATOM 28 CA GLN A 3 13.147 9.131 2.966 1.00 2.29 C ATOM 29 C GLN A 3 12.451 7.816 2.632 1.00 1.97 C ATOM 30 O GLN A 3 13.101 6.784 2.458 1.00 2.17 O ATOM 31 CB GLN A 3 13.831 9.666 1.714 1.00 2.41 C ATOM 32 CG GLN A 3 13.015 10.710 0.968 1.00 3.17 C ATOM 33 CD GLN A 3 13.413 12.131 1.320 1.00 3.60 C ATOM 34 OE1 GLN A 3 14.570 12.404 1.637 1.00 3.44 O ATOM 35 NE2 GLN A 3 12.449 13.043 1.268 1.00 4.47 N ATOM 0 H GLN A 3 14.925 8.383 3.796 1.00 2.87 H new ATOM 0 HA GLN A 3 12.399 9.844 3.312 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.791 10.100 1.993 1.00 2.41 H new ATOM 0 HB3 GLN A 3 14.041 8.834 1.042 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.135 10.559 -0.105 1.00 3.17 H new ATOM 0 HG3 GLN A 3 11.958 10.567 1.194 1.00 3.17 H new ATOM 0 HE21 GLN A 3 11.503 12.771 1.000 1.00 4.47 H new ATOM 0 HE22 GLN A 3 12.654 14.016 1.496 1.00 4.47 H new ATOM 44 N VAL A 4 11.125 7.862 2.542 1.00 1.57 N ATOM 45 CA VAL A 4 10.332 6.678 2.225 1.00 1.29 C ATOM 46 C VAL A 4 9.170 7.021 1.299 1.00 1.28 C ATOM 47 O VAL A 4 8.602 8.111 1.379 1.00 1.44 O ATOM 48 CB VAL A 4 9.769 6.006 3.495 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.895 5.596 4.431 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.786 6.930 4.198 1.00 1.57 C ATOM 0 H VAL A 4 10.575 8.709 2.685 1.00 1.57 H new ATOM 0 HA VAL A 4 11.007 5.984 1.724 1.00 1.29 H new ATOM 0 HB VAL A 4 9.233 5.104 3.198 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.476 5.124 5.320 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.553 4.891 3.922 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.465 6.478 4.723 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.400 6.439 5.091 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.293 7.852 4.482 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.960 7.162 3.526 1.00 1.57 H new ATOM 60 N VAL A 5 8.803 6.076 0.440 1.00 1.14 N ATOM 61 CA VAL A 5 7.688 6.274 -0.472 1.00 1.22 C ATOM 62 C VAL A 5 6.447 5.638 0.130 1.00 1.03 C ATOM 63 O VAL A 5 6.444 4.453 0.461 1.00 0.92 O ATOM 64 CB VAL A 5 7.956 5.663 -1.862 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.049 6.438 -2.582 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.325 4.192 -1.748 1.00 1.70 C ATOM 0 H VAL A 5 9.261 5.169 0.358 1.00 1.14 H new ATOM 0 HA VAL A 5 7.549 7.346 -0.610 1.00 1.22 H new ATOM 0 HB VAL A 5 7.039 5.735 -2.448 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.225 5.993 -3.561 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.739 7.476 -2.705 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.967 6.401 -1.996 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.509 3.785 -2.742 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.225 4.089 -1.141 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.506 3.647 -1.279 1.00 1.70 H new ATOM 76 N GLN A 6 5.409 6.438 0.323 1.00 1.03 N ATOM 77 CA GLN A 6 4.193 5.941 0.942 1.00 0.85 C ATOM 78 C GLN A 6 3.079 5.714 -0.059 1.00 0.83 C ATOM 79 O GLN A 6 2.831 6.537 -0.939 1.00 0.94 O ATOM 80 CB GLN A 6 3.719 6.911 2.023 1.00 0.83 C ATOM 81 CG GLN A 6 4.606 6.918 3.254 1.00 1.45 C ATOM 82 CD GLN A 6 5.089 8.309 3.616 1.00 1.81 C ATOM 83 OE1 GLN A 6 5.004 8.727 4.771 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.597 9.035 2.626 1.00 2.01 N ATOM 0 H GLN A 6 5.385 7.424 0.062 1.00 1.03 H new ATOM 0 HA GLN A 6 4.436 4.975 1.385 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.680 7.917 1.606 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.703 6.648 2.317 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.056 6.498 4.096 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.467 6.272 3.081 1.00 1.45 H new ATOM 0 HE21 GLN A 6 5.648 8.648 1.684 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.936 9.980 2.808 1.00 2.01 H new ATOM 93 N PHE A 7 2.390 4.596 0.115 1.00 0.74 N ATOM 94 CA PHE A 7 1.272 4.248 -0.733 1.00 0.78 C ATOM 95 C PHE A 7 -0.025 4.592 -0.008 1.00 0.62 C ATOM 96 O PHE A 7 -0.176 4.299 1.181 1.00 0.55 O ATOM 97 CB PHE A 7 1.314 2.753 -1.087 1.00 0.86 C ATOM 98 CG PHE A 7 0.010 2.221 -1.612 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.379 2.467 -2.918 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.831 1.493 -0.790 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.584 1.992 -3.396 1.00 1.29 C ATOM 102 CE2 PHE A 7 -2.038 1.017 -1.259 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.417 1.266 -2.564 1.00 1.29 C ATOM 0 H PHE A 7 2.592 3.912 0.844 1.00 0.74 H new ATOM 0 HA PHE A 7 1.328 4.814 -1.663 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.091 2.587 -1.833 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.597 2.186 -0.200 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.267 3.037 -3.570 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.539 1.295 0.231 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -1.876 2.187 -4.417 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.686 0.450 -0.607 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.361 0.895 -2.934 1.00 1.29 H new ATOM 113 N LYS A 8 -0.951 5.213 -0.724 1.00 0.60 N ATOM 114 CA LYS A 8 -2.232 5.595 -0.145 1.00 0.54 C ATOM 115 C LYS A 8 -3.382 4.946 -0.908 1.00 0.68 C ATOM 116 O LYS A 8 -3.354 4.861 -2.136 1.00 0.77 O ATOM 117 CB LYS A 8 -2.387 7.119 -0.163 1.00 0.61 C ATOM 118 CG LYS A 8 -2.368 7.710 -1.566 1.00 1.40 C ATOM 119 CD LYS A 8 -2.017 9.192 -1.555 1.00 2.22 C ATOM 120 CE LYS A 8 -0.721 9.464 -0.803 1.00 1.88 C ATOM 121 NZ LYS A 8 0.329 8.452 -1.112 1.00 2.42 N ATOM 0 H LYS A 8 -0.840 5.463 -1.707 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.259 5.246 0.887 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.324 7.388 0.324 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.584 7.566 0.423 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -1.644 7.170 -2.177 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.344 7.572 -2.031 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -1.924 9.550 -2.580 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -2.829 9.754 -1.094 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -0.354 10.457 -1.061 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.918 9.466 0.269 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 1.269 8.882 -0.999 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 0.237 7.646 -0.461 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 0.215 8.121 -2.091 1.00 2.42 H new ATOM 135 N LEU A 9 -4.399 4.495 -0.172 1.00 0.86 N ATOM 136 CA LEU A 9 -5.576 3.858 -0.771 1.00 1.06 C ATOM 137 C LEU A 9 -6.012 4.615 -2.027 1.00 1.74 C ATOM 138 O LEU A 9 -6.170 5.834 -1.997 1.00 2.24 O ATOM 139 CB LEU A 9 -6.714 3.822 0.262 1.00 1.28 C ATOM 140 CG LEU A 9 -7.986 3.059 -0.139 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.682 3.723 -1.315 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.680 1.606 -0.442 1.00 1.96 C ATOM 0 H LEU A 9 -4.432 4.559 0.845 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.326 2.838 -1.063 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.327 3.379 1.180 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.993 4.849 0.497 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.668 3.089 0.711 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.578 3.159 -1.574 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.960 4.742 -1.045 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.008 3.746 -2.171 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.599 1.092 -0.723 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.966 1.548 -1.264 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.254 1.132 0.442 1.00 1.96 H new ATOM 154 N SER A 10 -6.186 3.891 -3.129 1.00 2.11 N ATOM 155 CA SER A 10 -6.587 4.508 -4.391 1.00 2.83 C ATOM 156 C SER A 10 -7.763 3.766 -5.020 1.00 2.93 C ATOM 157 O SER A 10 -8.217 2.746 -4.500 1.00 3.26 O ATOM 158 CB SER A 10 -5.409 4.530 -5.368 1.00 3.76 C ATOM 159 OG SER A 10 -4.698 5.754 -5.286 1.00 4.49 O ATOM 0 H SER A 10 -6.056 2.880 -3.175 1.00 2.11 H new ATOM 0 HA SER A 10 -6.900 5.530 -4.178 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.737 3.700 -5.150 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.774 4.386 -6.385 1.00 3.76 H new ATOM 0 HG SER A 10 -3.950 5.741 -5.919 1.00 4.49 H new ATOM 165 N ASP A 11 -8.246 4.288 -6.152 1.00 3.22 N ATOM 166 CA ASP A 11 -9.368 3.693 -6.888 1.00 3.68 C ATOM 167 C ASP A 11 -10.721 4.173 -6.358 1.00 3.44 C ATOM 168 O ASP A 11 -11.741 4.027 -7.031 1.00 4.01 O ATOM 169 CB ASP A 11 -9.303 2.162 -6.857 1.00 4.18 C ATOM 170 CG ASP A 11 -9.555 1.553 -8.222 1.00 4.90 C ATOM 171 OD1 ASP A 11 -8.819 1.896 -9.170 1.00 5.24 O ATOM 172 OD2 ASP A 11 -10.491 0.736 -8.343 1.00 5.41 O ATOM 0 H ASP A 11 -7.872 5.133 -6.584 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.276 4.026 -7.922 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.324 1.848 -6.496 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.040 1.782 -6.149 1.00 4.18 H new ATOM 177 N ILE A 12 -10.732 4.742 -5.155 1.00 2.82 N ATOM 178 CA ILE A 12 -11.972 5.231 -4.557 1.00 2.70 C ATOM 179 C ILE A 12 -12.069 6.757 -4.648 1.00 2.96 C ATOM 180 O ILE A 12 -11.111 7.473 -4.361 1.00 3.29 O ATOM 181 CB ILE A 12 -12.096 4.776 -3.079 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.329 3.267 -3.017 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.224 5.510 -2.358 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.070 2.450 -3.206 1.00 1.97 C ATOM 0 H ILE A 12 -9.902 4.875 -4.578 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.798 4.800 -5.123 1.00 2.70 H new ATOM 0 HB ILE A 12 -11.162 5.022 -2.573 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.773 3.016 -2.054 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.051 2.988 -3.784 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -13.281 5.165 -1.325 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -13.028 6.582 -2.372 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -14.170 5.307 -2.861 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.313 1.389 -3.150 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.635 2.672 -4.181 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.353 2.700 -2.424 1.00 1.97 H new ATOM 196 N GLY A 13 -13.242 7.241 -5.040 1.00 3.15 N ATOM 197 CA GLY A 13 -13.455 8.670 -5.152 1.00 3.67 C ATOM 198 C GLY A 13 -13.914 9.284 -3.846 1.00 3.84 C ATOM 199 O GLY A 13 -14.763 8.722 -3.155 1.00 3.63 O ATOM 0 H GLY A 13 -14.050 6.667 -5.282 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.530 9.150 -5.472 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.199 8.865 -5.925 1.00 3.67 H new ATOM 203 N GLU A 14 -13.348 10.437 -3.506 1.00 4.49 N ATOM 204 CA GLU A 14 -13.700 11.129 -2.271 1.00 4.81 C ATOM 205 C GLU A 14 -15.199 11.404 -2.203 1.00 4.15 C ATOM 206 O GLU A 14 -15.658 12.485 -2.572 1.00 4.04 O ATOM 207 CB GLU A 14 -12.922 12.442 -2.166 1.00 5.76 C ATOM 208 CG GLU A 14 -12.819 12.980 -0.748 1.00 6.16 C ATOM 209 CD GLU A 14 -11.675 13.963 -0.577 1.00 7.04 C ATOM 210 OE1 GLU A 14 -11.108 14.400 -1.600 1.00 7.20 O ATOM 211 OE2 GLU A 14 -11.348 14.296 0.582 1.00 7.72 O ATOM 0 H GLU A 14 -12.643 10.913 -4.069 1.00 4.49 H new ATOM 0 HA GLU A 14 -13.434 10.484 -1.433 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -11.918 12.291 -2.562 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -13.404 13.191 -2.795 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -13.756 13.469 -0.480 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -12.684 12.148 -0.057 1.00 6.16 H new ATOM 218 N GLY A 15 -15.959 10.421 -1.729 1.00 3.81 N ATOM 219 CA GLY A 15 -17.397 10.584 -1.624 1.00 3.32 C ATOM 220 C GLY A 15 -18.142 9.267 -1.697 1.00 2.93 C ATOM 221 O GLY A 15 -19.255 9.147 -1.184 1.00 3.13 O ATOM 0 H GLY A 15 -15.605 9.517 -1.417 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -17.635 11.079 -0.683 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.744 11.238 -2.424 1.00 3.32 H new ATOM 225 N ILE A 16 -17.534 8.278 -2.340 1.00 2.53 N ATOM 226 CA ILE A 16 -18.155 6.968 -2.480 1.00 2.22 C ATOM 227 C ILE A 16 -17.683 6.008 -1.390 1.00 1.91 C ATOM 228 O ILE A 16 -17.088 6.422 -0.396 1.00 1.88 O ATOM 229 CB ILE A 16 -17.870 6.354 -3.871 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.402 5.924 -3.996 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.225 7.346 -4.968 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.158 4.946 -5.121 1.00 2.22 C ATOM 0 H ILE A 16 -16.613 8.358 -2.772 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.230 7.115 -2.376 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.492 5.466 -3.982 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.784 6.808 -4.152 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -16.082 5.473 -3.057 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.019 6.901 -5.942 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.283 7.599 -4.901 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.627 8.250 -4.849 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.100 4.684 -5.153 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.750 4.046 -4.955 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.447 5.401 -6.068 1.00 2.22 H new ATOM 244 N ARG A 17 -17.953 4.724 -1.595 1.00 1.82 N ATOM 245 CA ARG A 17 -17.565 3.688 -0.650 1.00 1.64 C ATOM 246 C ARG A 17 -16.052 3.507 -0.619 1.00 1.22 C ATOM 247 O ARG A 17 -15.358 3.795 -1.594 1.00 1.14 O ATOM 248 CB ARG A 17 -18.244 2.364 -1.007 1.00 1.77 C ATOM 249 CG ARG A 17 -18.168 1.323 0.098 1.00 2.27 C ATOM 250 CD ARG A 17 -18.644 -0.040 -0.382 1.00 2.75 C ATOM 251 NE ARG A 17 -19.769 -0.533 0.408 1.00 3.16 N ATOM 252 CZ ARG A 17 -20.180 -1.796 0.392 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.554 -2.688 -0.363 1.00 4.04 N ATOM 254 NH2 ARG A 17 -21.214 -2.168 1.134 1.00 4.40 N ATOM 0 H ARG A 17 -18.445 4.375 -2.417 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.890 4.001 0.342 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -19.291 2.555 -1.244 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.782 1.960 -1.908 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -17.141 1.245 0.455 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -18.776 1.644 0.944 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -18.937 0.026 -1.430 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -17.821 -0.752 -0.326 1.00 2.75 H new ATOM 0 HE ARG A 17 -20.266 0.128 1.004 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -18.756 -2.405 -0.932 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -19.870 -3.658 -0.375 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -21.695 -1.484 1.718 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -21.528 -3.138 1.121 1.00 4.40 H new ATOM 268 N GLU A 18 -15.552 3.019 0.510 1.00 1.16 N ATOM 269 CA GLU A 18 -14.124 2.783 0.684 1.00 0.91 C ATOM 270 C GLU A 18 -13.816 1.318 0.415 1.00 0.63 C ATOM 271 O GLU A 18 -14.729 0.526 0.192 1.00 0.66 O ATOM 272 CB GLU A 18 -13.690 3.164 2.097 1.00 1.29 C ATOM 273 CG GLU A 18 -13.719 4.659 2.357 1.00 1.64 C ATOM 274 CD GLU A 18 -14.244 4.998 3.738 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.149 4.284 4.220 1.00 2.11 O ATOM 276 OE2 GLU A 18 -13.750 5.976 4.339 1.00 2.17 O ATOM 0 H GLU A 18 -16.118 2.778 1.323 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.571 3.402 -0.022 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.341 2.666 2.815 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.680 2.793 2.271 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.713 5.064 2.245 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -14.343 5.143 1.606 1.00 1.64 H new ATOM 283 N VAL A 19 -12.540 0.949 0.409 1.00 0.63 N ATOM 284 CA VAL A 19 -12.189 -0.442 0.129 1.00 0.57 C ATOM 285 C VAL A 19 -11.358 -1.073 1.237 1.00 0.41 C ATOM 286 O VAL A 19 -10.571 -0.402 1.905 1.00 0.47 O ATOM 287 CB VAL A 19 -11.439 -0.576 -1.213 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.060 0.053 -1.127 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.338 -2.036 -1.633 1.00 1.16 C ATOM 0 H VAL A 19 -11.751 1.570 0.589 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.135 -0.980 0.069 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.010 -0.042 -1.972 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.551 -0.054 -2.085 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.157 1.111 -0.884 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.480 -0.446 -0.350 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.806 -2.106 -2.582 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.797 -2.597 -0.871 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.339 -2.452 -1.747 1.00 1.16 H new ATOM 299 N THR A 20 -11.543 -2.379 1.411 1.00 0.37 N ATOM 300 CA THR A 20 -10.819 -3.140 2.422 1.00 0.30 C ATOM 301 C THR A 20 -9.649 -3.865 1.788 1.00 0.33 C ATOM 302 O THR A 20 -9.665 -4.158 0.593 1.00 0.65 O ATOM 303 CB THR A 20 -11.710 -4.207 3.096 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.095 -3.872 2.956 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.354 -4.364 4.572 1.00 0.54 C ATOM 0 H THR A 20 -12.195 -2.936 0.858 1.00 0.37 H new ATOM 0 HA THR A 20 -10.485 -2.422 3.171 1.00 0.30 H new ATOM 0 HB THR A 20 -11.528 -5.158 2.595 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.643 -4.560 3.388 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.996 -5.121 5.023 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.312 -4.670 4.664 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.500 -3.413 5.085 1.00 0.54 H new ATOM 313 N VAL A 21 -8.647 -4.183 2.591 1.00 0.28 N ATOM 314 CA VAL A 21 -7.498 -4.911 2.078 1.00 0.25 C ATOM 315 C VAL A 21 -7.836 -6.394 1.978 1.00 0.29 C ATOM 316 O VAL A 21 -8.381 -6.977 2.912 1.00 0.33 O ATOM 317 CB VAL A 21 -6.247 -4.720 2.954 1.00 0.29 C ATOM 318 CG1 VAL A 21 -5.048 -5.402 2.316 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.970 -3.240 3.173 1.00 1.21 C ATOM 0 H VAL A 21 -8.605 -3.953 3.584 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.268 -4.510 1.091 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.429 -5.180 3.925 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.170 -5.259 2.946 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.249 -6.468 2.211 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.863 -4.969 1.333 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.082 -3.124 3.794 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.806 -2.754 2.211 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.824 -2.780 3.671 1.00 1.21 H new ATOM 329 N LYS A 22 -7.541 -6.999 0.835 1.00 0.36 N ATOM 330 CA LYS A 22 -7.846 -8.409 0.631 1.00 0.46 C ATOM 331 C LYS A 22 -6.614 -9.284 0.832 1.00 0.52 C ATOM 332 O LYS A 22 -6.730 -10.450 1.208 1.00 0.66 O ATOM 333 CB LYS A 22 -8.424 -8.632 -0.768 1.00 0.52 C ATOM 334 CG LYS A 22 -9.707 -9.447 -0.771 1.00 0.78 C ATOM 335 CD LYS A 22 -9.462 -10.870 -1.247 1.00 1.48 C ATOM 336 CE LYS A 22 -10.095 -11.114 -2.606 1.00 2.16 C ATOM 337 NZ LYS A 22 -9.943 -12.528 -3.043 1.00 2.95 N ATOM 0 H LYS A 22 -7.095 -6.540 0.041 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.588 -8.697 1.376 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.616 -7.664 -1.231 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.680 -9.138 -1.383 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -10.130 -9.466 0.234 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -10.442 -8.968 -1.417 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -8.390 -11.057 -1.304 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -9.870 -11.574 -0.522 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.154 -10.859 -2.564 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -9.637 -10.455 -3.343 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -10.388 -12.653 -3.975 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -8.932 -12.765 -3.108 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -10.402 -13.156 -2.353 1.00 2.95 H new ATOM 351 N GLU A 23 -5.435 -8.728 0.573 1.00 0.46 N ATOM 352 CA GLU A 23 -4.201 -9.489 0.725 1.00 0.56 C ATOM 353 C GLU A 23 -3.092 -8.660 1.366 1.00 0.42 C ATOM 354 O GLU A 23 -2.783 -7.556 0.919 1.00 0.42 O ATOM 355 CB GLU A 23 -3.734 -10.014 -0.632 1.00 0.73 C ATOM 356 CG GLU A 23 -4.841 -10.661 -1.448 1.00 1.09 C ATOM 357 CD GLU A 23 -5.064 -12.115 -1.077 1.00 1.33 C ATOM 358 OE1 GLU A 23 -4.079 -12.795 -0.716 1.00 1.63 O ATOM 359 OE2 GLU A 23 -6.223 -12.575 -1.147 1.00 2.13 O ATOM 0 H GLU A 23 -5.308 -7.765 0.261 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.417 -10.326 1.389 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.307 -9.190 -1.204 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.937 -10.741 -0.476 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -5.768 -10.106 -1.301 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -4.593 -10.594 -2.507 1.00 1.09 H new ATOM 366 N TRP A 24 -2.488 -9.221 2.407 1.00 0.35 N ATOM 367 CA TRP A 24 -1.395 -8.571 3.120 1.00 0.26 C ATOM 368 C TRP A 24 -0.213 -9.531 3.223 1.00 0.24 C ATOM 369 O TRP A 24 -0.318 -10.583 3.853 1.00 0.33 O ATOM 370 CB TRP A 24 -1.855 -8.150 4.518 1.00 0.37 C ATOM 371 CG TRP A 24 -2.315 -6.729 4.595 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.570 -6.294 4.896 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.526 -5.556 4.369 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.613 -4.922 4.876 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.371 -4.445 4.553 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.189 -5.334 4.031 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.923 -3.137 4.411 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.253 -4.034 3.889 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.611 -2.950 4.080 1.00 0.70 C ATOM 0 H TRP A 24 -2.741 -10.136 2.780 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.088 -7.680 2.572 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.667 -8.804 4.836 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.034 -8.296 5.221 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.410 -6.936 5.118 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.436 -4.351 5.070 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.486 -6.164 3.884 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.588 -2.299 4.557 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.284 -3.850 3.626 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.233 -1.945 3.963 1.00 0.70 H new ATOM 390 N TYR A 25 0.905 -9.185 2.586 1.00 0.20 N ATOM 391 CA TYR A 25 2.080 -10.055 2.607 1.00 0.31 C ATOM 392 C TYR A 25 3.275 -9.398 3.298 1.00 0.27 C ATOM 393 O TYR A 25 4.377 -9.945 3.287 1.00 0.36 O ATOM 394 CB TYR A 25 2.465 -10.449 1.179 1.00 0.42 C ATOM 395 CG TYR A 25 2.480 -11.943 0.926 1.00 0.70 C ATOM 396 CD1 TYR A 25 3.501 -12.745 1.421 1.00 1.16 C ATOM 397 CD2 TYR A 25 1.475 -12.548 0.181 1.00 1.07 C ATOM 398 CE1 TYR A 25 3.520 -14.107 1.180 1.00 1.44 C ATOM 399 CE2 TYR A 25 1.485 -13.910 -0.063 1.00 1.34 C ATOM 400 CZ TYR A 25 2.510 -14.685 0.438 1.00 1.36 C ATOM 401 OH TYR A 25 2.524 -16.042 0.192 1.00 1.72 O ATOM 0 H TYR A 25 1.022 -8.321 2.056 1.00 0.20 H new ATOM 0 HA TYR A 25 1.814 -10.943 3.180 1.00 0.31 H new ATOM 0 HB2 TYR A 25 1.766 -9.982 0.485 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.453 -10.045 0.957 1.00 0.42 H new ATOM 0 HD1 TYR A 25 4.293 -12.298 2.004 1.00 1.16 H new ATOM 0 HD2 TYR A 25 0.672 -11.944 -0.215 1.00 1.07 H new ATOM 0 HE1 TYR A 25 4.322 -14.716 1.571 1.00 1.44 H new ATOM 0 HE2 TYR A 25 0.695 -14.364 -0.643 1.00 1.34 H new ATOM 0 HH TYR A 25 1.740 -16.285 -0.344 1.00 1.72 H new ATOM 411 N VAL A 26 3.065 -8.230 3.898 1.00 0.22 N ATOM 412 CA VAL A 26 4.145 -7.529 4.581 1.00 0.22 C ATOM 413 C VAL A 26 3.706 -7.043 5.959 1.00 0.22 C ATOM 414 O VAL A 26 2.517 -7.050 6.280 1.00 0.31 O ATOM 415 CB VAL A 26 4.649 -6.333 3.749 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.072 -6.797 2.368 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.578 -5.255 3.652 1.00 0.40 C ATOM 0 H VAL A 26 2.164 -7.753 3.925 1.00 0.22 H new ATOM 0 HA VAL A 26 4.961 -8.242 4.703 1.00 0.22 H new ATOM 0 HB VAL A 26 5.516 -5.902 4.250 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.426 -5.943 1.790 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.873 -7.530 2.460 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.221 -7.251 1.860 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.954 -4.420 3.061 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.689 -5.667 3.174 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.322 -4.905 4.652 1.00 0.40 H new ATOM 427 N LYS A 27 4.674 -6.627 6.771 1.00 0.24 N ATOM 428 CA LYS A 27 4.390 -6.144 8.118 1.00 0.26 C ATOM 429 C LYS A 27 5.367 -5.047 8.521 1.00 0.29 C ATOM 430 O LYS A 27 6.353 -4.793 7.829 1.00 0.42 O ATOM 431 CB LYS A 27 4.460 -7.299 9.118 1.00 0.38 C ATOM 432 CG LYS A 27 3.263 -8.234 9.052 1.00 0.61 C ATOM 433 CD LYS A 27 2.789 -8.630 10.441 1.00 0.99 C ATOM 434 CE LYS A 27 1.399 -8.088 10.728 1.00 1.52 C ATOM 435 NZ LYS A 27 1.204 -7.801 12.176 1.00 1.89 N ATOM 0 H LYS A 27 5.662 -6.615 6.519 1.00 0.24 H new ATOM 0 HA LYS A 27 3.383 -5.726 8.124 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.369 -7.872 8.935 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.537 -6.892 10.126 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.449 -7.748 8.513 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.529 -9.128 8.488 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.783 -9.716 10.529 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.489 -8.254 11.187 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.239 -7.176 10.152 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.652 -8.810 10.397 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.244 -7.433 12.331 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.332 -8.676 12.724 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.900 -7.093 12.486 1.00 1.89 H new ATOM 449 N GLU A 28 5.086 -4.403 9.646 1.00 0.30 N ATOM 450 CA GLU A 28 5.945 -3.332 10.147 1.00 0.34 C ATOM 451 C GLU A 28 7.363 -3.849 10.357 1.00 0.38 C ATOM 452 O GLU A 28 7.556 -4.959 10.853 1.00 0.42 O ATOM 453 CB GLU A 28 5.409 -2.766 11.470 1.00 0.42 C ATOM 454 CG GLU A 28 3.893 -2.784 11.596 1.00 0.35 C ATOM 455 CD GLU A 28 3.387 -1.871 12.697 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.562 -2.221 13.883 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.820 -0.806 12.375 1.00 2.03 O ATOM 0 H GLU A 28 4.273 -4.601 10.229 1.00 0.30 H new ATOM 0 HA GLU A 28 5.952 -2.535 9.403 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.836 -3.337 12.294 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.758 -1.739 11.579 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.450 -2.482 10.647 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.561 -3.803 11.793 1.00 0.35 H new ATOM 464 N GLY A 29 8.356 -3.050 9.975 1.00 0.39 N ATOM 465 CA GLY A 29 9.735 -3.475 10.136 1.00 0.45 C ATOM 466 C GLY A 29 10.128 -4.578 9.164 1.00 0.40 C ATOM 467 O GLY A 29 11.235 -5.111 9.240 1.00 0.44 O ATOM 0 H GLY A 29 8.233 -2.126 9.561 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.394 -2.619 9.993 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.886 -3.826 11.157 1.00 0.45 H new ATOM 471 N ASP A 30 9.215 -4.939 8.262 1.00 0.34 N ATOM 472 CA ASP A 30 9.477 -6.002 7.294 1.00 0.31 C ATOM 473 C ASP A 30 9.827 -5.431 5.925 1.00 0.25 C ATOM 474 O ASP A 30 9.416 -4.324 5.578 1.00 0.24 O ATOM 475 CB ASP A 30 8.265 -6.928 7.185 1.00 0.31 C ATOM 476 CG ASP A 30 8.622 -8.376 7.457 1.00 0.91 C ATOM 477 OD1 ASP A 30 8.742 -8.744 8.645 1.00 1.36 O ATOM 478 OD2 ASP A 30 8.782 -9.142 6.484 1.00 1.27 O ATOM 0 H ASP A 30 8.292 -4.513 8.182 1.00 0.34 H new ATOM 0 HA ASP A 30 10.334 -6.575 7.649 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.500 -6.606 7.891 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.834 -6.843 6.187 1.00 0.31 H new ATOM 483 N THR A 31 10.597 -6.196 5.153 1.00 0.23 N ATOM 484 CA THR A 31 11.016 -5.768 3.823 1.00 0.18 C ATOM 485 C THR A 31 10.169 -6.403 2.726 1.00 0.18 C ATOM 486 O THR A 31 9.666 -7.517 2.873 1.00 0.30 O ATOM 487 CB THR A 31 12.495 -6.108 3.563 1.00 0.19 C ATOM 488 OG1 THR A 31 13.289 -5.740 4.698 1.00 0.31 O ATOM 489 CG2 THR A 31 13.007 -5.386 2.324 1.00 0.30 C ATOM 0 H THR A 31 10.943 -7.116 5.427 1.00 0.23 H new ATOM 0 HA THR A 31 10.879 -4.687 3.796 1.00 0.18 H new ATOM 0 HB THR A 31 12.574 -7.182 3.397 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.228 -5.961 4.526 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.054 -5.642 2.161 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.420 -5.689 1.457 1.00 0.30 H new ATOM 0 HG23 THR A 31 12.914 -4.309 2.466 1.00 0.30 H new ATOM 497 N VAL A 32 10.029 -5.678 1.623 1.00 0.14 N ATOM 498 CA VAL A 32 9.258 -6.143 0.476 1.00 0.14 C ATOM 499 C VAL A 32 10.176 -6.491 -0.690 1.00 0.14 C ATOM 500 O VAL A 32 11.357 -6.145 -0.688 1.00 0.18 O ATOM 501 CB VAL A 32 8.230 -5.089 -0.013 1.00 0.20 C ATOM 502 CG1 VAL A 32 6.820 -5.557 0.279 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.475 -3.715 0.605 1.00 0.18 C ATOM 0 H VAL A 32 10.445 -4.755 1.498 1.00 0.14 H new ATOM 0 HA VAL A 32 8.719 -7.028 0.814 1.00 0.14 H new ATOM 0 HB VAL A 32 8.358 -4.985 -1.090 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.109 -4.808 -0.069 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.636 -6.500 -0.236 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.699 -5.700 1.353 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.731 -3.011 0.233 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.398 -3.785 1.690 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.472 -3.367 0.334 1.00 0.18 H new ATOM 513 N SER A 33 9.616 -7.162 -1.691 1.00 0.23 N ATOM 514 CA SER A 33 10.370 -7.547 -2.877 1.00 0.31 C ATOM 515 C SER A 33 9.595 -7.183 -4.139 1.00 0.33 C ATOM 516 O SER A 33 8.388 -6.949 -4.090 1.00 0.35 O ATOM 517 CB SER A 33 10.672 -9.046 -2.862 1.00 0.38 C ATOM 518 OG SER A 33 10.570 -9.578 -1.551 1.00 1.42 O ATOM 0 H SER A 33 8.638 -7.451 -1.703 1.00 0.23 H new ATOM 0 HA SER A 33 11.314 -7.003 -2.873 1.00 0.31 H new ATOM 0 HB2 SER A 33 9.978 -9.566 -3.523 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.675 -9.221 -3.251 1.00 0.38 H new ATOM 0 HG SER A 33 10.766 -10.538 -1.571 1.00 1.42 H new ATOM 524 N GLN A 34 10.297 -7.130 -5.264 1.00 0.37 N ATOM 525 CA GLN A 34 9.675 -6.785 -6.537 1.00 0.41 C ATOM 526 C GLN A 34 8.532 -7.737 -6.872 1.00 0.43 C ATOM 527 O GLN A 34 7.611 -7.379 -7.606 1.00 0.52 O ATOM 528 CB GLN A 34 10.716 -6.805 -7.657 1.00 0.44 C ATOM 529 CG GLN A 34 11.171 -8.204 -8.036 1.00 0.76 C ATOM 530 CD GLN A 34 12.631 -8.254 -8.435 1.00 1.54 C ATOM 531 OE1 GLN A 34 13.404 -9.052 -7.905 1.00 2.38 O ATOM 532 NE2 GLN A 34 13.017 -7.398 -9.374 1.00 1.72 N ATOM 0 H GLN A 34 11.297 -7.321 -5.321 1.00 0.37 H new ATOM 0 HA GLN A 34 9.264 -5.780 -6.446 1.00 0.41 H new ATOM 0 HB2 GLN A 34 10.300 -6.316 -8.538 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.583 -6.221 -7.347 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.005 -8.876 -7.194 1.00 0.76 H new ATOM 0 HG3 GLN A 34 10.560 -8.570 -8.861 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.342 -6.754 -9.786 1.00 1.72 H new ATOM 0 HE22 GLN A 34 13.989 -7.384 -9.683 1.00 1.72 H new ATOM 541 N PHE A 35 8.596 -8.949 -6.333 1.00 0.43 N ATOM 542 CA PHE A 35 7.562 -9.949 -6.581 1.00 0.48 C ATOM 543 C PHE A 35 6.601 -10.053 -5.400 1.00 0.43 C ATOM 544 O PHE A 35 5.478 -10.538 -5.544 1.00 0.47 O ATOM 545 CB PHE A 35 8.197 -11.312 -6.858 1.00 0.58 C ATOM 546 CG PHE A 35 8.297 -11.640 -8.320 1.00 0.99 C ATOM 547 CD1 PHE A 35 7.157 -11.871 -9.072 1.00 1.86 C ATOM 548 CD2 PHE A 35 9.532 -11.714 -8.942 1.00 1.12 C ATOM 549 CE1 PHE A 35 7.247 -12.171 -10.418 1.00 2.52 C ATOM 550 CE2 PHE A 35 9.629 -12.014 -10.288 1.00 1.64 C ATOM 551 CZ PHE A 35 8.485 -12.243 -11.026 1.00 2.31 C ATOM 0 H PHE A 35 9.351 -9.263 -5.723 1.00 0.43 H new ATOM 0 HA PHE A 35 6.995 -9.634 -7.457 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.195 -11.335 -6.419 1.00 0.58 H new ATOM 0 HB3 PHE A 35 7.612 -12.085 -6.360 1.00 0.58 H new ATOM 0 HD1 PHE A 35 6.187 -11.816 -8.601 1.00 1.86 H new ATOM 0 HD2 PHE A 35 10.430 -11.535 -8.369 1.00 1.12 H new ATOM 0 HE1 PHE A 35 6.351 -12.349 -10.994 1.00 2.52 H new ATOM 0 HE2 PHE A 35 10.598 -12.069 -10.761 1.00 1.64 H new ATOM 0 HZ PHE A 35 8.558 -12.478 -12.078 1.00 2.31 H new ATOM 561 N ASP A 36 7.046 -9.598 -4.232 1.00 0.36 N ATOM 562 CA ASP A 36 6.221 -9.643 -3.032 1.00 0.34 C ATOM 563 C ASP A 36 5.456 -8.336 -2.851 1.00 0.25 C ATOM 564 O ASP A 36 6.008 -7.338 -2.389 1.00 0.21 O ATOM 565 CB ASP A 36 7.087 -9.922 -1.801 1.00 0.41 C ATOM 566 CG ASP A 36 6.406 -10.849 -0.812 1.00 0.76 C ATOM 567 OD1 ASP A 36 5.980 -11.949 -1.224 1.00 1.69 O ATOM 568 OD2 ASP A 36 6.301 -10.475 0.375 1.00 0.84 O ATOM 0 H ASP A 36 7.972 -9.195 -4.093 1.00 0.36 H new ATOM 0 HA ASP A 36 5.499 -10.451 -3.146 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.032 -10.364 -2.118 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.325 -8.980 -1.307 1.00 0.41 H new ATOM 573 N SER A 37 4.182 -8.352 -3.226 1.00 0.26 N ATOM 574 CA SER A 37 3.330 -7.173 -3.116 1.00 0.21 C ATOM 575 C SER A 37 3.130 -6.766 -1.656 1.00 0.23 C ATOM 576 O SER A 37 3.156 -7.609 -0.759 1.00 0.28 O ATOM 577 CB SER A 37 1.976 -7.447 -3.773 1.00 0.25 C ATOM 578 OG SER A 37 2.122 -7.680 -5.164 1.00 0.94 O ATOM 0 H SER A 37 3.714 -9.173 -3.611 1.00 0.26 H new ATOM 0 HA SER A 37 3.824 -6.349 -3.631 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.509 -8.312 -3.303 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.311 -6.599 -3.611 1.00 0.25 H new ATOM 0 HG SER A 37 1.243 -7.854 -5.561 1.00 0.94 H new ATOM 584 N ILE A 38 2.922 -5.471 -1.428 1.00 0.22 N ATOM 585 CA ILE A 38 2.707 -4.953 -0.078 1.00 0.27 C ATOM 586 C ILE A 38 1.287 -5.262 0.387 1.00 0.27 C ATOM 587 O ILE A 38 1.075 -6.125 1.247 1.00 0.27 O ATOM 588 CB ILE A 38 2.974 -3.429 -0.015 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.416 -3.148 -0.464 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.718 -2.887 1.392 1.00 0.34 C ATOM 591 CD1 ILE A 38 4.931 -1.766 -0.113 1.00 0.47 C ATOM 0 H ILE A 38 2.898 -4.761 -2.160 1.00 0.22 H new ATOM 0 HA ILE A 38 3.413 -5.447 0.590 1.00 0.27 H new ATOM 0 HB ILE A 38 2.287 -2.916 -0.688 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.074 -3.891 -0.013 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.478 -3.280 -1.544 1.00 0.36 H new ATOM 0 HG21 ILE A 38 2.913 -1.815 1.410 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.680 -3.072 1.670 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.378 -3.387 2.100 1.00 0.34 H new ATOM 0 HD11 ILE A 38 5.956 -1.658 -0.469 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.302 -1.012 -0.586 1.00 0.47 H new ATOM 0 HD13 ILE A 38 4.907 -1.632 0.969 1.00 0.47 H new ATOM 603 N CYS A 39 0.317 -4.572 -0.204 1.00 0.32 N ATOM 604 CA CYS A 39 -1.090 -4.778 0.127 1.00 0.34 C ATOM 605 C CYS A 39 -1.934 -4.819 -1.141 1.00 0.40 C ATOM 606 O CYS A 39 -1.539 -4.286 -2.178 1.00 0.55 O ATOM 607 CB CYS A 39 -1.608 -3.674 1.056 1.00 0.40 C ATOM 608 SG CYS A 39 -0.769 -2.080 0.884 1.00 1.29 S ATOM 0 H CYS A 39 0.480 -3.862 -0.918 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.172 -5.733 0.646 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.672 -3.530 0.868 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.509 -4.011 2.088 1.00 0.40 H new ATOM 0 HG CYS A 39 -0.201 -1.765 2.010 1.00 1.29 H new ATOM 614 N GLU A 40 -3.099 -5.451 -1.054 1.00 0.36 N ATOM 615 CA GLU A 40 -3.995 -5.555 -2.200 1.00 0.44 C ATOM 616 C GLU A 40 -5.448 -5.353 -1.787 1.00 0.48 C ATOM 617 O GLU A 40 -5.955 -6.045 -0.907 1.00 0.50 O ATOM 618 CB GLU A 40 -3.841 -6.918 -2.874 1.00 0.57 C ATOM 619 CG GLU A 40 -4.713 -7.083 -4.110 1.00 1.15 C ATOM 620 CD GLU A 40 -5.477 -8.393 -4.116 1.00 1.65 C ATOM 621 OE1 GLU A 40 -6.084 -8.731 -3.078 1.00 1.74 O ATOM 622 OE2 GLU A 40 -5.467 -9.082 -5.157 1.00 2.37 O ATOM 0 H GLU A 40 -3.445 -5.898 -0.205 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.723 -4.769 -2.904 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -2.797 -7.061 -3.153 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.089 -7.700 -2.156 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -5.419 -6.255 -4.164 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -4.088 -7.028 -5.001 1.00 1.15 H new ATOM 629 N VAL A 41 -6.116 -4.410 -2.444 1.00 0.55 N ATOM 630 CA VAL A 41 -7.517 -4.127 -2.159 1.00 0.64 C ATOM 631 C VAL A 41 -8.390 -4.490 -3.353 1.00 0.92 C ATOM 632 O VAL A 41 -8.002 -4.281 -4.502 1.00 1.08 O ATOM 633 CB VAL A 41 -7.740 -2.645 -1.806 1.00 0.65 C ATOM 634 CG1 VAL A 41 -7.118 -2.314 -0.461 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.179 -1.745 -2.895 1.00 1.32 C ATOM 0 H VAL A 41 -5.709 -3.829 -3.177 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.796 -4.735 -1.298 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.813 -2.468 -1.736 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.287 -1.262 -0.231 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.573 -2.932 0.313 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -6.046 -2.510 -0.498 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.346 -0.702 -2.627 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.109 -1.925 -3.001 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.679 -1.962 -3.839 1.00 1.32 H new ATOM 645 N GLN A 42 -9.567 -5.038 -3.077 1.00 1.03 N ATOM 646 CA GLN A 42 -10.489 -5.431 -4.134 1.00 1.34 C ATOM 647 C GLN A 42 -11.904 -4.957 -3.828 1.00 1.39 C ATOM 648 O GLN A 42 -12.498 -5.350 -2.824 1.00 1.38 O ATOM 649 CB GLN A 42 -10.474 -6.951 -4.312 1.00 1.58 C ATOM 650 CG GLN A 42 -9.143 -7.496 -4.810 1.00 1.80 C ATOM 651 CD GLN A 42 -9.306 -8.717 -5.696 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.424 -9.137 -5.993 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.187 -9.294 -6.121 1.00 2.60 N ATOM 0 H GLN A 42 -9.905 -5.220 -2.132 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.162 -4.960 -5.061 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.716 -7.422 -3.359 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.258 -7.233 -5.015 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.620 -6.717 -5.365 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.517 -7.753 -3.955 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.281 -8.911 -5.850 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.234 -10.119 -6.718 1.00 2.60 H new ATOM 662 N SER A 43 -12.440 -4.114 -4.702 1.00 1.55 N ATOM 663 CA SER A 43 -13.788 -3.589 -4.529 1.00 1.64 C ATOM 664 C SER A 43 -14.745 -4.237 -5.521 1.00 2.05 C ATOM 665 O SER A 43 -14.352 -4.597 -6.631 1.00 2.29 O ATOM 666 CB SER A 43 -13.795 -2.070 -4.712 1.00 1.43 C ATOM 667 OG SER A 43 -12.803 -1.663 -5.638 1.00 1.73 O ATOM 0 H SER A 43 -11.961 -3.779 -5.538 1.00 1.55 H new ATOM 0 HA SER A 43 -14.120 -3.824 -3.518 1.00 1.64 H new ATOM 0 HB2 SER A 43 -14.776 -1.747 -5.060 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.622 -1.584 -3.752 1.00 1.43 H new ATOM 0 HG SER A 43 -12.649 -2.379 -6.289 1.00 1.73 H new ATOM 673 N ASP A 44 -16.004 -4.385 -5.116 1.00 2.23 N ATOM 674 CA ASP A 44 -17.020 -4.993 -5.970 1.00 2.66 C ATOM 675 C ASP A 44 -16.969 -4.411 -7.380 1.00 2.80 C ATOM 676 O ASP A 44 -17.319 -5.080 -8.352 1.00 3.14 O ATOM 677 CB ASP A 44 -18.411 -4.779 -5.371 1.00 2.85 C ATOM 678 CG ASP A 44 -19.363 -5.910 -5.705 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.163 -7.028 -5.186 1.00 3.89 O ATOM 680 OD2 ASP A 44 -20.311 -5.677 -6.485 1.00 4.39 O ATOM 0 H ASP A 44 -16.345 -4.092 -4.201 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.815 -6.062 -6.030 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.327 -4.686 -4.288 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.823 -3.840 -5.741 1.00 2.85 H new ATOM 685 N LYS A 45 -16.527 -3.161 -7.482 1.00 2.69 N ATOM 686 CA LYS A 45 -16.429 -2.495 -8.774 1.00 2.92 C ATOM 687 C LYS A 45 -15.176 -2.937 -9.525 1.00 3.03 C ATOM 688 O LYS A 45 -15.247 -3.323 -10.692 1.00 3.65 O ATOM 689 CB LYS A 45 -16.427 -0.972 -8.599 1.00 2.89 C ATOM 690 CG LYS A 45 -15.241 -0.449 -7.808 1.00 2.98 C ATOM 691 CD LYS A 45 -15.421 1.012 -7.433 1.00 3.17 C ATOM 692 CE LYS A 45 -14.790 1.935 -8.464 1.00 3.22 C ATOM 693 NZ LYS A 45 -15.741 2.286 -9.554 1.00 3.62 N ATOM 0 H LYS A 45 -16.232 -2.592 -6.688 1.00 2.69 H new ATOM 0 HA LYS A 45 -17.301 -2.780 -9.362 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.432 -0.502 -9.583 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -17.347 -0.672 -8.098 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -15.114 -1.045 -6.904 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -14.331 -0.565 -8.396 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -16.484 1.237 -7.344 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -14.973 1.196 -6.456 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -14.448 2.846 -7.974 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.910 1.454 -8.891 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -15.276 2.156 -10.475 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -16.577 1.670 -9.497 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -16.035 3.278 -9.452 1.00 3.62 H new ATOM 707 N ALA A 46 -14.027 -2.876 -8.856 1.00 2.58 N ATOM 708 CA ALA A 46 -12.770 -3.269 -9.482 1.00 2.82 C ATOM 709 C ALA A 46 -11.785 -3.840 -8.468 1.00 2.68 C ATOM 710 O ALA A 46 -11.922 -3.632 -7.262 1.00 2.63 O ATOM 711 CB ALA A 46 -12.150 -2.081 -10.202 1.00 2.83 C ATOM 0 H ALA A 46 -13.941 -2.561 -7.890 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.993 -4.055 -10.204 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -11.212 -2.386 -10.666 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.835 -1.723 -10.970 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.958 -1.282 -9.486 1.00 2.83 H new ATOM 717 N SER A 47 -10.783 -4.551 -8.976 1.00 2.96 N ATOM 718 CA SER A 47 -9.756 -5.148 -8.131 1.00 2.92 C ATOM 719 C SER A 47 -8.406 -4.482 -8.388 1.00 2.26 C ATOM 720 O SER A 47 -8.028 -4.249 -9.537 1.00 2.31 O ATOM 721 CB SER A 47 -9.659 -6.653 -8.393 1.00 3.72 C ATOM 722 OG SER A 47 -10.546 -7.052 -9.425 1.00 4.52 O ATOM 0 H SER A 47 -10.661 -4.728 -9.973 1.00 2.96 H new ATOM 0 HA SER A 47 -10.032 -4.992 -7.088 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.637 -6.912 -8.668 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.891 -7.200 -7.479 1.00 3.72 H new ATOM 0 HG SER A 47 -10.462 -8.017 -9.573 1.00 4.52 H new ATOM 728 N VAL A 48 -7.688 -4.165 -7.316 1.00 2.12 N ATOM 729 CA VAL A 48 -6.389 -3.513 -7.439 1.00 1.80 C ATOM 730 C VAL A 48 -5.334 -4.189 -6.566 1.00 1.55 C ATOM 731 O VAL A 48 -5.567 -4.464 -5.389 1.00 1.97 O ATOM 732 CB VAL A 48 -6.473 -2.023 -7.055 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.264 -1.265 -7.583 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.767 -1.409 -7.576 1.00 3.50 C ATOM 0 H VAL A 48 -7.982 -4.348 -6.356 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.095 -3.602 -8.485 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.473 -1.947 -5.968 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.342 -0.215 -7.302 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.355 -1.688 -7.157 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.228 -1.348 -8.669 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.809 -0.357 -7.295 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.800 -1.497 -8.662 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.619 -1.934 -7.144 1.00 3.50 H new ATOM 744 N THR A 49 -4.169 -4.442 -7.154 1.00 1.13 N ATOM 745 CA THR A 49 -3.067 -5.074 -6.438 1.00 0.98 C ATOM 746 C THR A 49 -1.847 -4.156 -6.432 1.00 0.69 C ATOM 747 O THR A 49 -1.469 -3.608 -7.467 1.00 0.71 O ATOM 748 CB THR A 49 -2.691 -6.430 -7.064 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.910 -6.227 -8.249 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.939 -7.235 -7.403 1.00 1.46 C ATOM 0 H THR A 49 -3.964 -4.218 -8.128 1.00 1.13 H new ATOM 0 HA THR A 49 -3.396 -5.251 -5.414 1.00 0.98 H new ATOM 0 HB THR A 49 -2.103 -6.989 -6.336 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.675 -7.095 -8.638 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.648 -8.189 -7.844 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.514 -7.415 -6.494 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.549 -6.678 -8.114 1.00 1.46 H new ATOM 758 N ILE A 50 -1.252 -3.967 -5.257 1.00 0.66 N ATOM 759 CA ILE A 50 -0.099 -3.082 -5.122 1.00 0.49 C ATOM 760 C ILE A 50 1.226 -3.836 -5.089 1.00 0.37 C ATOM 761 O ILE A 50 1.562 -4.485 -4.096 1.00 0.36 O ATOM 762 CB ILE A 50 -0.205 -2.228 -3.849 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.589 -1.586 -3.759 1.00 0.95 C ATOM 764 CG2 ILE A 50 0.886 -1.168 -3.830 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.914 -0.683 -4.930 1.00 1.01 C ATOM 0 H ILE A 50 -1.548 -4.413 -4.388 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.111 -2.446 -6.007 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.068 -2.872 -2.980 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.342 -2.372 -3.697 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.654 -1.009 -2.837 1.00 0.95 H new ATOM 0 HG21 ILE A 50 0.798 -0.571 -2.922 1.00 0.78 H new ATOM 0 HG22 ILE A 50 1.863 -1.651 -3.853 1.00 0.78 H new ATOM 0 HG23 ILE A 50 0.780 -0.521 -4.701 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.911 -0.262 -4.799 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -1.183 0.124 -4.981 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.882 -1.260 -5.854 1.00 1.01 H new ATOM 777 N THR A 51 1.986 -3.717 -6.172 1.00 0.41 N ATOM 778 CA THR A 51 3.289 -4.358 -6.269 1.00 0.44 C ATOM 779 C THR A 51 4.384 -3.415 -5.790 1.00 0.40 C ATOM 780 O THR A 51 4.105 -2.296 -5.355 1.00 0.50 O ATOM 781 CB THR A 51 3.602 -4.799 -7.708 1.00 0.56 C ATOM 782 OG1 THR A 51 3.603 -3.663 -8.581 1.00 0.79 O ATOM 783 CG2 THR A 51 2.584 -5.817 -8.190 1.00 1.04 C ATOM 0 H THR A 51 1.719 -3.180 -6.997 1.00 0.41 H new ATOM 0 HA THR A 51 3.257 -5.243 -5.634 1.00 0.44 H new ATOM 0 HB THR A 51 4.589 -5.261 -7.718 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.805 -3.953 -9.495 1.00 0.79 H new ATOM 0 HG21 THR A 51 2.824 -6.116 -9.210 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.609 -6.692 -7.540 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.588 -5.375 -8.166 1.00 1.04 H new ATOM 791 N SER A 52 5.627 -3.870 -5.860 1.00 0.49 N ATOM 792 CA SER A 52 6.754 -3.060 -5.420 1.00 0.56 C ATOM 793 C SER A 52 7.729 -2.782 -6.561 1.00 0.56 C ATOM 794 O SER A 52 8.294 -1.694 -6.645 1.00 0.66 O ATOM 795 CB SER A 52 7.491 -3.762 -4.279 1.00 0.63 C ATOM 796 OG SER A 52 6.579 -4.358 -3.373 1.00 1.36 O ATOM 0 H SER A 52 5.880 -4.792 -6.216 1.00 0.49 H new ATOM 0 HA SER A 52 6.357 -2.106 -5.073 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.155 -4.525 -4.686 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.117 -3.044 -3.750 1.00 0.63 H new ATOM 0 HG SER A 52 6.747 -5.322 -3.327 1.00 1.36 H new ATOM 802 N ARG A 53 7.940 -3.782 -7.416 1.00 0.54 N ATOM 803 CA ARG A 53 8.873 -3.664 -8.540 1.00 0.63 C ATOM 804 C ARG A 53 10.315 -3.477 -8.048 1.00 0.58 C ATOM 805 O ARG A 53 11.207 -3.149 -8.829 1.00 0.68 O ATOM 806 CB ARG A 53 8.452 -2.519 -9.486 1.00 0.83 C ATOM 807 CG ARG A 53 9.019 -1.139 -9.149 1.00 1.39 C ATOM 808 CD ARG A 53 9.863 -0.593 -10.291 1.00 2.19 C ATOM 809 NE ARG A 53 9.133 -0.581 -11.558 1.00 2.73 N ATOM 810 CZ ARG A 53 9.676 -0.225 -12.721 1.00 3.54 C ATOM 811 NH1 ARG A 53 10.947 0.147 -12.780 1.00 4.04 N ATOM 812 NH2 ARG A 53 8.947 -0.246 -13.830 1.00 4.23 N ATOM 0 H ARG A 53 7.476 -4.688 -7.352 1.00 0.54 H new ATOM 0 HA ARG A 53 8.837 -4.596 -9.105 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.757 -2.779 -10.500 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.364 -2.454 -9.487 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.202 -0.450 -8.937 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.625 -1.203 -8.245 1.00 1.39 H new ATOM 0 HD2 ARG A 53 10.187 0.420 -10.050 1.00 2.19 H new ATOM 0 HD3 ARG A 53 10.763 -1.198 -10.398 1.00 2.19 H new ATOM 0 HE ARG A 53 8.152 -0.861 -11.551 1.00 2.73 H new ATOM 0 HH11 ARG A 53 11.514 0.162 -11.932 1.00 4.04 H new ATOM 0 HH12 ARG A 53 11.358 0.419 -13.673 1.00 4.04 H new ATOM 0 HH21 ARG A 53 7.970 -0.535 -13.792 1.00 4.23 H new ATOM 0 HH22 ARG A 53 9.364 0.027 -14.720 1.00 4.23 H new ATOM 826 N TYR A 54 10.529 -3.680 -6.749 1.00 0.45 N ATOM 827 CA TYR A 54 11.840 -3.527 -6.136 1.00 0.41 C ATOM 828 C TYR A 54 11.758 -3.952 -4.676 1.00 0.31 C ATOM 829 O TYR A 54 10.668 -4.195 -4.161 1.00 0.28 O ATOM 830 CB TYR A 54 12.308 -2.072 -6.235 1.00 0.50 C ATOM 831 CG TYR A 54 13.578 -1.888 -7.038 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.827 -2.026 -6.443 1.00 1.77 C ATOM 833 CD2 TYR A 54 13.528 -1.573 -8.390 1.00 1.89 C ATOM 834 CE1 TYR A 54 15.988 -1.855 -7.174 1.00 2.59 C ATOM 835 CE2 TYR A 54 14.684 -1.401 -9.127 1.00 2.72 C ATOM 836 CZ TYR A 54 15.910 -1.543 -8.515 1.00 2.95 C ATOM 837 OH TYR A 54 17.063 -1.372 -9.246 1.00 3.88 O ATOM 0 H TYR A 54 9.796 -3.955 -6.095 1.00 0.45 H new ATOM 0 HA TYR A 54 12.560 -4.155 -6.661 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.515 -1.476 -6.687 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.466 -1.683 -5.229 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.891 -2.271 -5.393 1.00 1.77 H new ATOM 0 HD2 TYR A 54 12.569 -1.461 -8.873 1.00 1.89 H new ATOM 0 HE1 TYR A 54 16.951 -1.965 -6.697 1.00 2.59 H new ATOM 0 HE2 TYR A 54 14.627 -1.157 -10.177 1.00 2.72 H new ATOM 0 HH TYR A 54 16.833 -1.157 -10.174 1.00 3.88 H new ATOM 847 N ASP A 55 12.898 -4.039 -4.004 1.00 0.30 N ATOM 848 CA ASP A 55 12.906 -4.433 -2.601 1.00 0.24 C ATOM 849 C ASP A 55 12.986 -3.206 -1.705 1.00 0.23 C ATOM 850 O ASP A 55 13.877 -2.371 -1.857 1.00 0.28 O ATOM 851 CB ASP A 55 14.074 -5.374 -2.301 1.00 0.28 C ATOM 852 CG ASP A 55 14.219 -6.476 -3.332 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.239 -6.162 -4.541 1.00 1.33 O ATOM 854 OD2 ASP A 55 14.315 -7.656 -2.930 1.00 1.52 O ATOM 0 H ASP A 55 13.818 -3.845 -4.400 1.00 0.30 H new ATOM 0 HA ASP A 55 11.976 -4.963 -2.397 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.998 -4.797 -2.260 1.00 0.28 H new ATOM 0 HB3 ASP A 55 13.932 -5.820 -1.317 1.00 0.28 H new ATOM 859 N GLY A 56 12.042 -3.098 -0.776 1.00 0.18 N ATOM 860 CA GLY A 56 12.022 -1.962 0.122 1.00 0.18 C ATOM 861 C GLY A 56 11.726 -2.350 1.553 1.00 0.15 C ATOM 862 O GLY A 56 11.255 -3.451 1.820 1.00 0.15 O ATOM 0 H GLY A 56 11.293 -3.775 -0.630 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.986 -1.455 0.080 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.271 -1.249 -0.219 1.00 0.18 H new ATOM 866 N VAL A 57 12.007 -1.443 2.479 1.00 0.18 N ATOM 867 CA VAL A 57 11.775 -1.705 3.894 1.00 0.21 C ATOM 868 C VAL A 57 10.498 -1.036 4.393 1.00 0.22 C ATOM 869 O VAL A 57 10.351 0.181 4.308 1.00 0.26 O ATOM 870 CB VAL A 57 12.956 -1.220 4.754 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.854 -1.777 6.163 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.280 -1.610 4.116 1.00 1.11 C ATOM 0 H VAL A 57 12.395 -0.522 2.277 1.00 0.18 H new ATOM 0 HA VAL A 57 11.672 -2.786 3.992 1.00 0.21 H new ATOM 0 HB VAL A 57 12.914 -0.132 4.812 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.697 -1.423 6.756 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.923 -1.442 6.620 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.868 -2.866 6.126 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.102 -1.258 4.739 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.334 -2.695 4.023 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.355 -1.157 3.127 1.00 1.11 H new ATOM 882 N ILE A 58 9.587 -1.843 4.931 1.00 0.21 N ATOM 883 CA ILE A 58 8.326 -1.335 5.463 1.00 0.24 C ATOM 884 C ILE A 58 8.427 -1.198 6.976 1.00 0.33 C ATOM 885 O ILE A 58 8.812 -2.146 7.669 1.00 0.38 O ATOM 886 CB ILE A 58 7.158 -2.262 5.084 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.222 -2.574 3.592 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.823 -1.626 5.432 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.228 -3.622 3.152 1.00 0.17 C ATOM 0 H ILE A 58 9.699 -2.854 5.010 1.00 0.21 H new ATOM 0 HA ILE A 58 8.131 -0.355 5.027 1.00 0.24 H new ATOM 0 HB ILE A 58 7.246 -3.187 5.653 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.044 -1.657 3.029 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.228 -2.911 3.342 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.014 -2.302 5.154 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.781 -1.432 6.504 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.714 -0.687 4.888 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.330 -3.793 2.080 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.419 -4.552 3.688 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.217 -3.279 3.370 1.00 0.17 H new ATOM 901 N LYS A 59 8.136 0.002 7.478 1.00 0.40 N ATOM 902 CA LYS A 59 8.265 0.279 8.909 1.00 0.53 C ATOM 903 C LYS A 59 6.955 0.190 9.685 1.00 0.52 C ATOM 904 O LYS A 59 6.974 -0.094 10.881 1.00 0.61 O ATOM 905 CB LYS A 59 8.863 1.669 9.110 1.00 0.65 C ATOM 906 CG LYS A 59 9.658 1.805 10.398 1.00 0.83 C ATOM 907 CD LYS A 59 10.389 3.136 10.461 1.00 1.03 C ATOM 908 CE LYS A 59 11.771 3.042 9.836 1.00 1.51 C ATOM 909 NZ LYS A 59 12.433 4.374 9.749 1.00 2.14 N ATOM 0 H LYS A 59 7.812 0.792 6.920 1.00 0.40 H new ATOM 0 HA LYS A 59 8.917 -0.499 9.305 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.511 1.903 8.266 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.059 2.406 9.109 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.987 1.716 11.252 1.00 0.83 H new ATOM 0 HG3 LYS A 59 10.377 0.989 10.471 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.806 3.898 9.944 1.00 1.03 H new ATOM 0 HD3 LYS A 59 10.479 3.454 11.500 1.00 1.03 H new ATOM 0 HE2 LYS A 59 12.391 2.366 10.425 1.00 1.51 H new ATOM 0 HE3 LYS A 59 11.690 2.611 8.838 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 13.373 4.267 9.317 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 11.855 5.012 9.166 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 12.534 4.774 10.703 1.00 2.14 H new ATOM 923 N LYS A 60 5.824 0.451 9.044 1.00 0.44 N ATOM 924 CA LYS A 60 4.556 0.400 9.763 1.00 0.45 C ATOM 925 C LYS A 60 3.376 0.086 8.852 1.00 0.37 C ATOM 926 O LYS A 60 3.362 0.443 7.674 1.00 0.53 O ATOM 927 CB LYS A 60 4.320 1.718 10.512 1.00 0.55 C ATOM 928 CG LYS A 60 3.818 2.857 9.636 1.00 0.76 C ATOM 929 CD LYS A 60 4.897 3.367 8.691 1.00 0.51 C ATOM 930 CE LYS A 60 6.047 4.019 9.443 1.00 0.71 C ATOM 931 NZ LYS A 60 5.618 5.249 10.166 1.00 1.35 N ATOM 0 H LYS A 60 5.755 0.694 8.056 1.00 0.44 H new ATOM 0 HA LYS A 60 4.626 -0.418 10.480 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.598 1.544 11.310 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.252 2.024 10.986 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.959 2.518 9.057 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.473 3.675 10.268 1.00 0.76 H new ATOM 0 HD2 LYS A 60 5.277 2.539 8.093 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.462 4.087 7.998 1.00 0.51 H new ATOM 0 HE2 LYS A 60 6.464 3.307 10.155 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.842 4.270 8.741 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.457 5.779 10.478 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 5.049 5.844 9.531 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 5.048 4.984 10.995 1.00 1.35 H new ATOM 945 N LEU A 61 2.384 -0.584 9.428 1.00 0.35 N ATOM 946 CA LEU A 61 1.174 -0.963 8.713 1.00 0.37 C ATOM 947 C LEU A 61 -0.050 -0.722 9.598 1.00 0.56 C ATOM 948 O LEU A 61 -0.190 -1.336 10.657 1.00 0.94 O ATOM 949 CB LEU A 61 1.258 -2.431 8.285 1.00 0.39 C ATOM 950 CG LEU A 61 2.093 -2.687 7.028 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.173 -4.175 6.728 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.511 -1.927 5.850 1.00 0.91 C ATOM 0 H LEU A 61 2.397 -0.879 10.404 1.00 0.35 H new ATOM 0 HA LEU A 61 1.077 -0.350 7.817 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.678 -3.011 9.107 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.248 -2.804 8.115 1.00 0.39 H new ATOM 0 HG LEU A 61 3.107 -2.327 7.204 1.00 0.33 H new ATOM 0 HD11 LEU A 61 2.771 -4.334 5.831 1.00 1.14 H new ATOM 0 HD12 LEU A 61 2.636 -4.691 7.569 1.00 1.14 H new ATOM 0 HD13 LEU A 61 1.169 -4.569 6.569 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.113 -2.117 4.961 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.488 -2.259 5.673 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.513 -0.859 6.069 1.00 0.91 H new ATOM 964 N TYR A 62 -0.916 0.197 9.175 1.00 0.68 N ATOM 965 CA TYR A 62 -2.108 0.546 9.948 1.00 0.88 C ATOM 966 C TYR A 62 -3.333 -0.261 9.529 1.00 0.75 C ATOM 967 O TYR A 62 -4.077 -0.756 10.376 1.00 0.87 O ATOM 968 CB TYR A 62 -2.406 2.036 9.786 1.00 1.16 C ATOM 969 CG TYR A 62 -3.393 2.578 10.795 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.746 2.276 10.706 1.00 1.81 C ATOM 971 CD2 TYR A 62 -2.971 3.400 11.832 1.00 1.55 C ATOM 972 CE1 TYR A 62 -5.651 2.778 11.623 1.00 2.35 C ATOM 973 CE2 TYR A 62 -3.868 3.904 12.753 1.00 2.07 C ATOM 974 CZ TYR A 62 -5.206 3.591 12.645 1.00 2.38 C ATOM 975 OH TYR A 62 -6.103 4.094 13.560 1.00 3.08 O ATOM 0 H TYR A 62 -0.815 0.714 8.301 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.898 0.308 10.991 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.473 2.594 9.869 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.794 2.212 8.783 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.097 1.639 9.908 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -1.924 3.649 11.919 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -6.700 2.535 11.540 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -3.523 4.541 13.554 1.00 2.07 H new ATOM 0 HH TYR A 62 -5.627 4.647 14.215 1.00 3.08 H new ATOM 985 N TYR A 63 -3.554 -0.376 8.225 1.00 0.64 N ATOM 986 CA TYR A 63 -4.708 -1.107 7.713 1.00 0.62 C ATOM 987 C TYR A 63 -4.384 -2.580 7.499 1.00 0.63 C ATOM 988 O TYR A 63 -3.252 -2.941 7.177 1.00 0.73 O ATOM 989 CB TYR A 63 -5.197 -0.486 6.403 1.00 0.79 C ATOM 990 CG TYR A 63 -5.549 0.981 6.516 1.00 1.02 C ATOM 991 CD1 TYR A 63 -4.557 1.948 6.633 1.00 1.16 C ATOM 992 CD2 TYR A 63 -6.874 1.400 6.504 1.00 1.28 C ATOM 993 CE1 TYR A 63 -4.877 3.289 6.734 1.00 1.45 C ATOM 994 CE2 TYR A 63 -7.201 2.740 6.604 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.200 3.679 6.719 1.00 1.60 C ATOM 996 OH TYR A 63 -6.520 5.013 6.820 1.00 1.93 O ATOM 0 H TYR A 63 -2.953 0.025 7.505 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.499 -1.038 8.460 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.424 -0.607 5.644 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.073 -1.034 6.057 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.520 1.647 6.645 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -7.662 0.667 6.415 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -4.095 4.028 6.824 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -8.236 3.049 6.592 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.494 5.119 6.793 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.395 -3.424 7.674 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.235 -4.859 7.496 1.00 0.67 C ATOM 1008 C ASN A 64 -6.269 -5.409 6.527 1.00 0.49 C ATOM 1009 O ASN A 64 -7.044 -4.666 5.928 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.371 -5.593 8.829 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.351 -5.135 9.851 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -3.813 -4.031 9.756 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -4.078 -5.982 10.836 1.00 1.03 N ATOM 0 H ASN A 64 -6.337 -3.136 7.940 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.237 -5.023 7.090 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.374 -5.436 9.226 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.258 -6.664 8.663 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -3.399 -5.728 11.553 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -4.548 -6.887 10.876 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.258 -6.725 6.392 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.164 -7.434 5.513 1.00 0.54 C ATOM 1022 C LEU A 65 -8.632 -7.147 5.831 1.00 0.66 C ATOM 1023 O LEU A 65 -9.510 -7.414 5.012 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.905 -8.928 5.652 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.624 -9.427 4.990 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.641 -9.917 6.042 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.938 -10.529 3.990 1.00 1.04 C ATOM 0 H LEU A 65 -5.613 -7.334 6.896 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.980 -7.093 4.494 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.869 -9.178 6.712 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.750 -9.469 5.226 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.164 -8.599 4.451 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.732 -10.270 5.554 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.395 -9.099 6.719 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.090 -10.734 6.607 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.014 -10.874 3.527 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.419 -11.361 4.505 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.607 -10.143 3.221 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.904 -6.639 7.029 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.281 -6.368 7.438 1.00 0.92 C ATOM 1041 C ASP A 66 -10.609 -4.876 7.466 1.00 0.87 C ATOM 1042 O ASP A 66 -11.773 -4.493 7.339 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.544 -6.979 8.814 1.00 1.12 C ATOM 1044 CG ASP A 66 -12.012 -7.279 9.040 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.618 -7.959 8.184 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.556 -6.834 10.072 1.00 2.33 O ATOM 0 H ASP A 66 -8.198 -6.408 7.728 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.930 -6.825 6.691 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.968 -7.898 8.917 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.192 -6.295 9.586 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.600 -4.036 7.655 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.822 -2.593 7.720 1.00 0.81 C ATOM 1053 C ASP A 67 -10.015 -1.981 6.334 1.00 0.69 C ATOM 1054 O ASP A 67 -9.548 -2.521 5.321 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.660 -1.903 8.435 1.00 0.92 C ATOM 1056 CG ASP A 67 -9.102 -1.156 9.679 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.413 -1.819 10.691 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -9.134 0.093 9.643 1.00 1.54 O ATOM 0 H ASP A 67 -8.627 -4.323 7.765 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.740 -2.435 8.286 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.913 -2.648 8.709 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.178 -1.206 7.749 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.705 -0.841 6.310 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.975 -0.118 5.075 1.00 0.78 C ATOM 1065 C ILE A 68 -10.176 1.167 5.023 1.00 0.99 C ATOM 1066 O ILE A 68 -10.024 1.862 6.028 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.463 0.261 4.920 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.379 -0.750 5.625 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.811 0.386 3.442 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.560 -2.038 4.860 1.00 1.10 C ATOM 0 H ILE A 68 -11.090 -0.397 7.144 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.691 -0.794 4.268 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.626 1.225 5.402 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.967 -0.976 6.609 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.355 -0.293 5.786 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.862 0.654 3.337 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.192 1.159 2.987 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.627 -0.566 2.943 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.219 -2.703 5.418 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -14.001 -1.824 3.886 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.591 -2.518 4.722 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.689 1.489 3.841 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.928 2.701 3.647 1.00 1.34 C ATOM 1084 C ALA A 69 -9.683 3.651 2.729 1.00 1.19 C ATOM 1085 O ALA A 69 -10.539 3.222 1.934 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.551 2.378 3.087 1.00 2.16 C ATOM 0 H ALA A 69 -9.809 0.924 3.000 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.792 3.193 4.610 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.990 3.302 2.946 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -7.017 1.732 3.784 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.658 1.869 2.129 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.358 4.935 2.838 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.990 5.965 2.027 1.00 1.38 C ATOM 1094 C TYR A 70 -8.937 6.876 1.398 1.00 1.17 C ATOM 1095 O TYR A 70 -8.014 7.331 2.075 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.947 6.787 2.888 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.250 7.630 3.930 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -9.716 7.053 5.076 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -10.126 9.002 3.767 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -9.076 7.822 6.030 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -9.489 9.779 4.715 1.00 4.07 C ATOM 1102 CZ TYR A 70 -8.965 9.186 5.845 1.00 4.67 C ATOM 1103 OH TYR A 70 -8.327 9.958 6.790 1.00 5.65 O ATOM 0 H TYR A 70 -8.654 5.287 3.487 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.551 5.483 1.226 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -11.537 7.437 2.242 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.645 6.113 3.385 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -9.802 5.987 5.224 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -10.534 9.471 2.884 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -8.665 7.359 6.915 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -9.402 10.846 4.572 1.00 4.07 H new ATOM 0 HH TYR A 70 -8.335 10.896 6.506 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.077 7.135 0.101 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.132 7.987 -0.616 1.00 2.02 C ATOM 1115 C VAL A 71 -7.969 9.342 0.068 1.00 2.00 C ATOM 1116 O VAL A 71 -8.946 9.947 0.513 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.568 8.217 -2.076 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.449 8.875 -2.869 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -8.985 6.908 -2.727 1.00 3.61 C ATOM 0 H VAL A 71 -9.835 6.768 -0.475 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.177 7.461 -0.606 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.429 8.885 -2.074 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -7.774 9.030 -3.898 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.200 9.836 -2.419 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -6.569 8.231 -2.860 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -9.289 7.094 -3.757 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -8.146 6.213 -2.716 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -9.820 6.477 -2.175 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.727 9.817 0.141 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.458 11.102 0.763 1.00 1.87 C ATOM 1131 C GLY A 72 -5.506 11.007 1.944 1.00 1.57 C ATOM 1132 O GLY A 72 -5.232 12.011 2.602 1.00 1.63 O ATOM 0 H GLY A 72 -5.904 9.335 -0.219 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.037 11.778 0.019 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.398 11.541 1.097 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.000 9.806 2.222 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.082 9.617 3.340 1.00 1.09 C ATOM 1138 C LYS A 73 -3.188 8.396 3.133 1.00 0.83 C ATOM 1139 O LYS A 73 -3.675 7.307 2.825 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.873 9.451 4.642 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.834 10.670 5.553 1.00 1.59 C ATOM 1142 CD LYS A 73 -3.468 10.854 6.198 1.00 1.98 C ATOM 1143 CE LYS A 73 -2.987 9.583 6.881 1.00 2.32 C ATOM 1144 NZ LYS A 73 -1.728 9.808 7.644 1.00 2.96 N ATOM 0 H LYS A 73 -5.208 8.959 1.694 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.446 10.500 3.399 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.911 9.227 4.398 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -4.481 8.592 5.186 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.087 11.561 4.978 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.591 10.567 6.330 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -2.746 11.154 5.439 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -3.517 11.662 6.928 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -3.761 9.218 7.556 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.825 8.807 6.133 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -1.432 8.919 8.095 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -0.982 10.132 6.996 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -1.889 10.530 8.375 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.864 8.554 3.311 1.00 0.75 N ATOM 1159 CA PRO A 74 -0.904 7.452 3.156 1.00 0.64 C ATOM 1160 C PRO A 74 -1.291 6.236 3.986 1.00 0.53 C ATOM 1161 O PRO A 74 -1.860 6.366 5.070 1.00 0.75 O ATOM 1162 CB PRO A 74 0.404 8.060 3.666 1.00 0.77 C ATOM 1163 CG PRO A 74 0.250 9.511 3.389 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.189 9.811 3.686 1.00 0.91 C ATOM 0 HA PRO A 74 -0.849 7.089 2.130 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.547 7.868 4.730 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.268 7.643 3.148 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.915 10.105 4.016 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.496 9.744 2.353 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.343 10.056 4.737 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.555 10.657 3.104 1.00 0.91 H new ATOM 1172 N LEU A 75 -0.987 5.052 3.466 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.314 3.813 4.157 1.00 0.49 C ATOM 1174 C LEU A 75 -0.075 3.182 4.786 1.00 0.46 C ATOM 1175 O LEU A 75 -0.098 2.785 5.952 1.00 0.62 O ATOM 1176 CB LEU A 75 -1.971 2.827 3.189 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.596 1.596 3.846 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -4.109 1.604 3.668 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -1.991 0.323 3.272 1.00 1.32 C ATOM 0 H LEU A 75 -0.516 4.925 2.570 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.014 4.051 4.958 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.744 3.352 2.628 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -1.223 2.496 2.468 1.00 0.64 H new ATOM 0 HG LEU A 75 -2.380 1.626 4.914 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -4.536 0.720 4.142 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -4.525 2.500 4.129 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -4.350 1.598 2.605 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.447 -0.544 3.750 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -2.176 0.284 2.198 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -0.917 0.316 3.456 1.00 1.32 H new ATOM 1191 N VAL A 76 1.005 3.087 4.015 1.00 0.32 N ATOM 1192 CA VAL A 76 2.243 2.494 4.522 1.00 0.29 C ATOM 1193 C VAL A 76 3.478 3.242 4.024 1.00 0.27 C ATOM 1194 O VAL A 76 3.467 3.824 2.942 1.00 0.35 O ATOM 1195 CB VAL A 76 2.360 1.010 4.117 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.270 0.860 2.607 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.655 0.406 4.644 1.00 0.47 C ATOM 0 H VAL A 76 1.051 3.408 3.048 1.00 0.32 H new ATOM 0 HA VAL A 76 2.198 2.572 5.608 1.00 0.29 H new ATOM 0 HB VAL A 76 1.528 0.467 4.565 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.355 -0.193 2.340 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.312 1.247 2.259 1.00 0.37 H new ATOM 0 HG13 VAL A 76 3.079 1.419 2.137 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.716 -0.641 4.346 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.505 0.950 4.232 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.673 0.475 5.732 1.00 0.47 H new ATOM 1207 N ASP A 77 4.550 3.202 4.817 1.00 0.30 N ATOM 1208 CA ASP A 77 5.800 3.858 4.446 1.00 0.41 C ATOM 1209 C ASP A 77 6.870 2.816 4.154 1.00 0.38 C ATOM 1210 O ASP A 77 7.165 1.961 4.993 1.00 0.41 O ATOM 1211 CB ASP A 77 6.301 4.799 5.551 1.00 0.58 C ATOM 1212 CG ASP A 77 5.202 5.626 6.201 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.010 5.345 5.958 1.00 1.10 O ATOM 1214 OD2 ASP A 77 5.540 6.560 6.957 1.00 0.87 O ATOM 0 H ASP A 77 4.576 2.723 5.717 1.00 0.30 H new ATOM 0 HA ASP A 77 5.603 4.453 3.554 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.800 4.208 6.319 1.00 0.58 H new ATOM 0 HB3 ASP A 77 7.048 5.472 5.131 1.00 0.58 H new ATOM 1219 N ILE A 78 7.444 2.885 2.959 1.00 0.44 N ATOM 1220 CA ILE A 78 8.474 1.935 2.562 1.00 0.42 C ATOM 1221 C ILE A 78 9.636 2.626 1.863 1.00 0.41 C ATOM 1222 O ILE A 78 9.452 3.631 1.176 1.00 0.51 O ATOM 1223 CB ILE A 78 7.921 0.848 1.616 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.443 0.572 1.901 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.738 -0.427 1.749 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.507 1.523 1.189 1.00 0.86 C ATOM 0 H ILE A 78 7.215 3.584 2.253 1.00 0.44 H new ATOM 0 HA ILE A 78 8.823 1.471 3.485 1.00 0.42 H new ATOM 0 HB ILE A 78 8.002 1.212 0.592 1.00 0.42 H new ATOM 0 HG12 ILE A 78 6.208 -0.450 1.603 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.269 0.638 2.975 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.339 -1.187 1.077 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.777 -0.222 1.489 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.685 -0.787 2.776 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.476 1.271 1.435 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.716 2.545 1.506 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.654 1.440 0.112 1.00 0.86 H new ATOM 1238 N GLU A 79 10.830 2.064 2.020 1.00 0.29 N ATOM 1239 CA GLU A 79 12.016 2.615 1.381 1.00 0.29 C ATOM 1240 C GLU A 79 12.322 1.828 0.117 1.00 0.47 C ATOM 1241 O GLU A 79 12.619 0.638 0.176 1.00 0.79 O ATOM 1242 CB GLU A 79 13.216 2.563 2.328 1.00 0.62 C ATOM 1243 CG GLU A 79 13.013 3.338 3.619 1.00 0.92 C ATOM 1244 CD GLU A 79 14.226 3.279 4.526 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.174 4.060 4.300 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.230 2.449 5.461 1.00 1.09 O ATOM 0 H GLU A 79 11.000 1.230 2.582 1.00 0.29 H new ATOM 0 HA GLU A 79 11.824 3.658 1.127 1.00 0.29 H new ATOM 0 HB2 GLU A 79 13.431 1.522 2.570 1.00 0.62 H new ATOM 0 HB3 GLU A 79 14.091 2.958 1.812 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.789 4.378 3.383 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.148 2.938 4.148 1.00 0.92 H new ATOM 1253 N THR A 80 12.233 2.502 -1.022 1.00 0.64 N ATOM 1254 CA THR A 80 12.485 1.879 -2.314 1.00 1.05 C ATOM 1255 C THR A 80 13.244 2.834 -3.228 1.00 1.00 C ATOM 1256 O THR A 80 13.212 4.048 -3.026 1.00 1.22 O ATOM 1257 CB THR A 80 11.169 1.450 -2.998 1.00 1.51 C ATOM 1258 OG1 THR A 80 10.118 2.364 -2.657 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.772 0.039 -2.583 1.00 1.18 C ATOM 0 H THR A 80 11.986 3.490 -1.076 1.00 0.64 H new ATOM 0 HA THR A 80 13.089 0.989 -2.136 1.00 1.05 H new ATOM 0 HB THR A 80 11.329 1.462 -4.076 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.377 1.872 -2.246 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.842 -0.238 -3.079 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.558 -0.659 -2.870 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.632 0.003 -1.503 1.00 1.18 H new ATOM 1267 N GLU A 81 13.932 2.293 -4.227 1.00 1.27 N ATOM 1268 CA GLU A 81 14.695 3.127 -5.148 1.00 1.30 C ATOM 1269 C GLU A 81 13.790 4.179 -5.774 1.00 1.99 C ATOM 1270 O GLU A 81 12.589 3.964 -5.925 1.00 2.56 O ATOM 1271 CB GLU A 81 15.339 2.269 -6.240 1.00 1.53 C ATOM 1272 CG GLU A 81 16.832 2.509 -6.403 1.00 1.62 C ATOM 1273 CD GLU A 81 17.635 1.976 -5.233 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.339 2.365 -4.084 1.00 3.13 O ATOM 1275 OE2 GLU A 81 18.561 1.171 -5.466 1.00 2.85 O ATOM 0 H GLU A 81 13.977 1.292 -4.419 1.00 1.27 H new ATOM 0 HA GLU A 81 15.486 3.628 -4.589 1.00 1.30 H new ATOM 0 HB2 GLU A 81 15.172 1.217 -6.009 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.842 2.470 -7.189 1.00 1.53 H new ATOM 0 HG2 GLU A 81 17.175 2.034 -7.322 1.00 1.62 H new ATOM 0 HG3 GLU A 81 17.016 3.578 -6.509 1.00 1.62 H new ATOM 1282 N ALA A 82 14.370 5.327 -6.118 1.00 2.01 N ATOM 1283 CA ALA A 82 13.614 6.431 -6.710 1.00 2.67 C ATOM 1284 C ALA A 82 12.575 5.942 -7.717 1.00 3.02 C ATOM 1285 O ALA A 82 12.916 5.461 -8.798 1.00 3.10 O ATOM 1286 CB ALA A 82 14.562 7.426 -7.362 1.00 2.85 C ATOM 0 H ALA A 82 15.365 5.518 -5.997 1.00 2.01 H new ATOM 0 HA ALA A 82 13.072 6.927 -5.905 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.988 8.243 -7.799 1.00 2.85 H new ATOM 0 HB2 ALA A 82 15.245 7.823 -6.611 1.00 2.85 H new ATOM 0 HB3 ALA A 82 15.134 6.926 -8.144 1.00 2.85 H new ATOM 1292 N LEU A 83 11.305 6.075 -7.347 1.00 3.31 N ATOM 1293 CA LEU A 83 10.201 5.658 -8.206 1.00 3.73 C ATOM 1294 C LEU A 83 9.296 6.848 -8.522 1.00 4.31 C ATOM 1295 O LEU A 83 9.075 7.710 -7.671 1.00 4.31 O ATOM 1296 CB LEU A 83 9.395 4.545 -7.529 1.00 3.56 C ATOM 1297 CG LEU A 83 9.647 3.135 -8.071 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.217 2.232 -6.985 1.00 3.49 C ATOM 1299 CD2 LEU A 83 8.362 2.548 -8.633 1.00 3.60 C ATOM 0 H LEU A 83 11.014 6.470 -6.453 1.00 3.31 H new ATOM 0 HA LEU A 83 10.612 5.275 -9.140 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.620 4.553 -6.463 1.00 3.56 H new ATOM 0 HB3 LEU A 83 8.334 4.772 -7.632 1.00 3.56 H new ATOM 0 HG LEU A 83 10.380 3.202 -8.875 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.388 1.236 -7.393 1.00 3.49 H new ATOM 0 HD12 LEU A 83 11.160 2.644 -6.627 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.511 2.169 -6.157 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.556 1.546 -9.015 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.610 2.497 -7.845 1.00 3.60 H new ATOM 0 HD23 LEU A 83 7.997 3.180 -9.443 1.00 3.60 H new ATOM 1311 N LYS A 84 8.786 6.900 -9.749 1.00 4.85 N ATOM 1312 CA LYS A 84 7.919 8.000 -10.169 1.00 5.44 C ATOM 1313 C LYS A 84 6.460 7.733 -9.809 1.00 5.34 C ATOM 1314 O LYS A 84 5.674 8.665 -9.639 1.00 5.61 O ATOM 1315 CB LYS A 84 8.047 8.234 -11.676 1.00 6.29 C ATOM 1316 CG LYS A 84 7.575 7.062 -12.520 1.00 6.80 C ATOM 1317 CD LYS A 84 8.318 6.994 -13.846 1.00 7.13 C ATOM 1318 CE LYS A 84 8.064 8.233 -14.691 1.00 7.72 C ATOM 1319 NZ LYS A 84 9.110 9.272 -14.484 1.00 8.33 N ATOM 0 H LYS A 84 8.956 6.197 -10.468 1.00 4.85 H new ATOM 0 HA LYS A 84 8.242 8.894 -9.636 1.00 5.44 H new ATOM 0 HB2 LYS A 84 7.472 9.120 -11.947 1.00 6.29 H new ATOM 0 HB3 LYS A 84 9.089 8.445 -11.914 1.00 6.29 H new ATOM 0 HG2 LYS A 84 7.724 6.133 -11.970 1.00 6.80 H new ATOM 0 HG3 LYS A 84 6.505 7.154 -12.706 1.00 6.80 H new ATOM 0 HD2 LYS A 84 9.387 6.892 -13.660 1.00 7.13 H new ATOM 0 HD3 LYS A 84 8.004 6.107 -14.395 1.00 7.13 H new ATOM 0 HE2 LYS A 84 8.033 7.954 -15.744 1.00 7.72 H new ATOM 0 HE3 LYS A 84 7.087 8.647 -14.443 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 9.225 9.827 -15.356 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 8.824 9.902 -13.708 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 10.012 8.813 -14.244 1.00 8.33 H new ATOM 1333 N ASP A 85 6.101 6.458 -9.701 1.00 5.08 N ATOM 1334 CA ASP A 85 4.732 6.071 -9.370 1.00 5.19 C ATOM 1335 C ASP A 85 4.193 6.872 -8.187 1.00 4.88 C ATOM 1336 O ASP A 85 3.024 7.256 -8.170 1.00 5.42 O ATOM 1337 CB ASP A 85 4.668 4.577 -9.052 1.00 4.91 C ATOM 1338 CG ASP A 85 4.963 3.714 -10.262 1.00 5.75 C ATOM 1339 OD1 ASP A 85 5.994 3.954 -10.925 1.00 6.12 O ATOM 1340 OD2 ASP A 85 4.166 2.794 -10.544 1.00 6.23 O ATOM 0 H ASP A 85 6.739 5.674 -9.838 1.00 5.08 H new ATOM 0 HA ASP A 85 4.109 6.287 -10.238 1.00 5.19 H new ATOM 0 HB2 ASP A 85 5.382 4.346 -8.262 1.00 4.91 H new ATOM 0 HB3 ASP A 85 3.678 4.332 -8.668 1.00 4.91 H new ATOM 1345 N LEU A 86 5.047 7.110 -7.197 1.00 4.16 N ATOM 1346 CA LEU A 86 4.650 7.855 -6.006 1.00 3.99 C ATOM 1347 C LEU A 86 5.352 9.211 -5.938 1.00 4.35 C ATOM 1348 O LEU A 86 4.826 10.163 -5.360 1.00 4.39 O ATOM 1349 CB LEU A 86 4.967 7.042 -4.747 1.00 3.28 C ATOM 1350 CG LEU A 86 3.858 7.009 -3.693 1.00 2.93 C ATOM 1351 CD1 LEU A 86 3.764 8.347 -2.977 1.00 3.28 C ATOM 1352 CD2 LEU A 86 2.525 6.646 -4.333 1.00 2.54 C ATOM 0 H LEU A 86 6.018 6.798 -7.195 1.00 4.16 H new ATOM 0 HA LEU A 86 3.576 8.031 -6.064 1.00 3.99 H new ATOM 0 HB2 LEU A 86 5.194 6.018 -5.043 1.00 3.28 H new ATOM 0 HB3 LEU A 86 5.869 7.449 -4.289 1.00 3.28 H new ATOM 0 HG LEU A 86 4.103 6.244 -2.957 1.00 2.93 H new ATOM 0 HD11 LEU A 86 2.970 8.306 -2.231 1.00 3.28 H new ATOM 0 HD12 LEU A 86 4.713 8.564 -2.486 1.00 3.28 H new ATOM 0 HD13 LEU A 86 3.542 9.132 -3.700 1.00 3.28 H new ATOM 0 HD21 LEU A 86 1.748 6.627 -3.569 1.00 2.54 H new ATOM 0 HD22 LEU A 86 2.271 7.387 -5.091 1.00 2.54 H new ATOM 0 HD23 LEU A 86 2.600 5.663 -4.798 1.00 2.54 H new ATOM 1364 N GLU A 87 6.540 9.293 -6.529 1.00 4.90 N ATOM 1365 CA GLU A 87 7.308 10.535 -6.529 1.00 5.65 C ATOM 1366 C GLU A 87 7.628 10.980 -7.952 1.00 5.80 C ATOM 1367 O GLU A 87 8.801 10.848 -8.363 1.00 5.45 O ATOM 1368 CB GLU A 87 8.605 10.359 -5.734 1.00 6.27 C ATOM 1369 CG GLU A 87 8.425 10.511 -4.232 1.00 6.31 C ATOM 1370 CD GLU A 87 9.732 10.777 -3.509 1.00 7.17 C ATOM 1371 OE1 GLU A 87 10.354 11.827 -3.774 1.00 7.79 O ATOM 1372 OE2 GLU A 87 10.133 9.937 -2.677 1.00 7.41 O ATOM 0 H GLU A 87 6.991 8.517 -7.013 1.00 4.90 H new ATOM 0 HA GLU A 87 6.700 11.306 -6.055 1.00 5.65 H new ATOM 0 HB2 GLU A 87 9.019 9.373 -5.944 1.00 6.27 H new ATOM 0 HB3 GLU A 87 9.335 11.091 -6.080 1.00 6.27 H new ATOM 0 HG2 GLU A 87 7.732 11.329 -4.034 1.00 6.31 H new ATOM 0 HG3 GLU A 87 7.971 9.605 -3.831 1.00 6.31 H new TER 1379 GLU A 87