USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 678 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 33 GLN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0545 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 1.14 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -113:sc= 2.11 (180deg=-0.186) USER MOD Set 3.3: A 50 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.067) USER MOD Set 3.4: A 54 LYS NZ :NH3+ -131:sc= 1.62 (180deg=0.0836) USER MOD Set 4.1: A 29 SER OG : rot -88:sc= -0.615 USER MOD Set 4.2: A 30 HIS : no HE2:sc= -7.41! C(o=-8!,f=-8.4!) USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= 0.674 (180deg=-0.0326) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.227 (180deg=-1.03) USER MOD Single : A 14 HIS : no HE2:sc= 0.542 K(o=0.54,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= -0.11 (180deg=-1.53!) USER MOD Single : A 17 THR OG1 : rot 131:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -83:sc= 0.881 USER MOD Single : A 40 ASN : amide:sc= 0.281 K(o=0.28,f=-4.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.922 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0.967 (180deg=0.536) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -175:sc= 0 (180deg=-0.00188) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -1.63! (180deg=-2.44!) USER MOD Single : A 73 TYR OH : rot 86:sc= -1.96! USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0.802 (180deg=0.468) USER MOD Single : A 81 LYS NZ :NH3+ -114:sc= -1.1 (180deg=-3.82!) USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= -0.848! (180deg=-2.24!) USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= 0.29 (180deg=-7.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 2.868 4.073 -1.557 1.00 1.69 N ATOM 32 CA ALA A 3 4.090 4.473 -0.783 1.00 1.43 C ATOM 33 C ALA A 3 5.228 3.407 -0.782 1.00 0.87 C ATOM 34 O ALA A 3 6.379 3.690 -1.055 1.00 0.55 O ATOM 35 CB ALA A 3 3.602 4.782 0.632 1.00 1.72 C ATOM 0 HA ALA A 3 4.556 5.337 -1.257 1.00 1.43 H new ATOM 0 HB1 ALA A 3 4.448 5.081 1.251 1.00 1.72 H new ATOM 0 HB2 ALA A 3 2.873 5.592 0.597 1.00 1.72 H new ATOM 0 HB3 ALA A 3 3.137 3.893 1.059 1.00 1.72 H new ATOM 41 N GLU A 4 4.849 2.195 -0.459 1.00 0.92 N ATOM 42 CA GLU A 4 5.753 1.023 -0.382 1.00 0.55 C ATOM 43 C GLU A 4 6.916 0.963 -1.291 1.00 0.41 C ATOM 44 O GLU A 4 8.003 0.565 -0.939 1.00 0.38 O ATOM 45 CB GLU A 4 4.808 -0.189 -0.503 1.00 0.52 C ATOM 46 CG GLU A 4 4.242 -0.558 0.923 1.00 0.88 C ATOM 47 CD GLU A 4 3.934 0.727 1.700 1.00 3.31 C ATOM 48 OE1 GLU A 4 2.905 1.273 1.356 1.00 4.49 O ATOM 49 OE2 GLU A 4 4.736 1.091 2.547 1.00 4.45 O ATOM 0 H GLU A 4 3.881 1.967 -0.232 1.00 0.92 H new ATOM 0 HA GLU A 4 6.302 1.068 0.558 1.00 0.55 H new ATOM 0 HB2 GLU A 4 3.988 0.042 -1.183 1.00 0.52 H new ATOM 0 HB3 GLU A 4 5.342 -1.040 -0.925 1.00 0.52 H new ATOM 0 HG2 GLU A 4 3.339 -1.160 0.823 1.00 0.88 H new ATOM 0 HG3 GLU A 4 4.968 -1.161 1.469 1.00 0.88 H new ATOM 56 N PHE A 5 6.649 1.378 -2.458 1.00 0.67 N ATOM 57 CA PHE A 5 7.694 1.380 -3.480 1.00 0.70 C ATOM 58 C PHE A 5 8.747 2.467 -3.239 1.00 0.59 C ATOM 59 O PHE A 5 9.917 2.193 -3.072 1.00 0.36 O ATOM 60 CB PHE A 5 6.928 1.567 -4.684 1.00 1.02 C ATOM 61 CG PHE A 5 7.942 1.700 -5.833 1.00 0.65 C ATOM 62 CD1 PHE A 5 8.589 0.599 -6.353 1.00 1.87 C ATOM 63 CD2 PHE A 5 8.252 2.950 -6.318 1.00 2.79 C ATOM 64 CE1 PHE A 5 9.534 0.750 -7.340 1.00 2.18 C ATOM 65 CE2 PHE A 5 9.194 3.106 -7.303 1.00 2.49 C ATOM 66 CZ PHE A 5 9.837 2.007 -7.814 1.00 0.16 C ATOM 0 H PHE A 5 5.739 1.724 -2.762 1.00 0.67 H new ATOM 0 HA PHE A 5 8.300 0.474 -3.502 1.00 0.70 H new ATOM 0 HB2 PHE A 5 6.259 0.723 -4.853 1.00 1.02 H new ATOM 0 HB3 PHE A 5 6.305 2.458 -4.612 1.00 1.02 H new ATOM 0 HD1 PHE A 5 8.352 -0.388 -5.983 1.00 1.87 H new ATOM 0 HD2 PHE A 5 7.748 3.818 -5.919 1.00 2.79 H new ATOM 0 HE1 PHE A 5 10.038 -0.116 -7.743 1.00 2.18 H new ATOM 0 HE2 PHE A 5 9.429 4.092 -7.676 1.00 2.49 H new ATOM 0 HZ PHE A 5 10.581 2.128 -8.588 1.00 0.16 H new ATOM 76 N ASP A 6 8.283 3.677 -3.234 1.00 0.85 N ATOM 77 CA ASP A 6 9.131 4.868 -3.023 1.00 0.98 C ATOM 78 C ASP A 6 9.861 4.763 -1.708 1.00 0.83 C ATOM 79 O ASP A 6 11.049 4.960 -1.564 1.00 0.96 O ATOM 80 CB ASP A 6 8.137 5.972 -3.131 1.00 1.23 C ATOM 81 CG ASP A 6 7.528 5.848 -4.525 1.00 1.57 C ATOM 82 OD1 ASP A 6 8.172 6.210 -5.497 1.00 3.61 O ATOM 83 OD2 ASP A 6 6.412 5.349 -4.504 1.00 1.26 O ATOM 0 H ASP A 6 7.297 3.897 -3.376 1.00 0.85 H new ATOM 0 HA ASP A 6 9.947 5.013 -3.731 1.00 0.98 H new ATOM 0 HB2 ASP A 6 7.371 5.885 -2.360 1.00 1.23 H new ATOM 0 HB3 ASP A 6 8.615 6.943 -2.998 1.00 1.23 H new ATOM 88 N LYS A 7 9.071 4.400 -0.753 1.00 0.60 N ATOM 89 CA LYS A 7 9.638 4.250 0.615 1.00 0.54 C ATOM 90 C LYS A 7 10.664 3.101 0.543 1.00 0.48 C ATOM 91 O LYS A 7 11.714 3.187 1.155 1.00 0.69 O ATOM 92 CB LYS A 7 8.563 3.885 1.636 1.00 0.37 C ATOM 93 CG LYS A 7 9.274 3.981 3.015 1.00 0.46 C ATOM 94 CD LYS A 7 8.691 2.912 3.943 1.00 1.30 C ATOM 95 CE LYS A 7 9.573 2.819 5.189 1.00 1.16 C ATOM 96 NZ LYS A 7 9.303 1.515 5.874 1.00 3.02 N ATOM 0 H LYS A 7 8.075 4.202 -0.848 1.00 0.60 H new ATOM 0 HA LYS A 7 10.086 5.192 0.932 1.00 0.54 H new ATOM 0 HB2 LYS A 7 7.716 4.569 1.580 1.00 0.37 H new ATOM 0 HB3 LYS A 7 8.175 2.882 1.460 1.00 0.37 H new ATOM 0 HG2 LYS A 7 10.348 3.835 2.898 1.00 0.46 H new ATOM 0 HG3 LYS A 7 9.133 4.973 3.445 1.00 0.46 H new ATOM 0 HD2 LYS A 7 7.669 3.168 4.221 1.00 1.30 H new ATOM 0 HD3 LYS A 7 8.651 1.949 3.434 1.00 1.30 H new ATOM 0 HE2 LYS A 7 10.625 2.890 4.913 1.00 1.16 H new ATOM 0 HE3 LYS A 7 9.364 3.650 5.863 1.00 1.16 H new ATOM 0 HZ1 LYS A 7 8.974 1.694 6.844 1.00 3.02 H new ATOM 0 HZ2 LYS A 7 8.571 0.993 5.351 1.00 3.02 H new ATOM 0 HZ3 LYS A 7 10.176 0.951 5.903 1.00 3.02 H new ATOM 110 N ALA A 8 10.364 2.052 -0.194 1.00 0.23 N ATOM 111 CA ALA A 8 11.371 0.944 -0.266 1.00 0.21 C ATOM 112 C ALA A 8 12.612 1.631 -0.893 1.00 0.24 C ATOM 113 O ALA A 8 13.701 1.509 -0.380 1.00 0.30 O ATOM 114 CB ALA A 8 10.816 -0.184 -1.150 1.00 0.13 C ATOM 0 H ALA A 8 9.504 1.918 -0.726 1.00 0.23 H new ATOM 0 HA ALA A 8 11.610 0.483 0.692 1.00 0.21 H new ATOM 0 HB1 ALA A 8 11.544 -0.993 -1.207 1.00 0.13 H new ATOM 0 HB2 ALA A 8 9.888 -0.560 -0.720 1.00 0.13 H new ATOM 0 HB3 ALA A 8 10.622 0.200 -2.151 1.00 0.13 H new ATOM 120 N ALA A 9 12.435 2.336 -1.979 1.00 0.31 N ATOM 121 CA ALA A 9 13.584 3.036 -2.621 1.00 0.33 C ATOM 122 C ALA A 9 14.341 3.822 -1.535 1.00 0.38 C ATOM 123 O ALA A 9 15.547 3.687 -1.485 1.00 0.44 O ATOM 124 CB ALA A 9 13.001 3.942 -3.734 1.00 0.31 C ATOM 0 H ALA A 9 11.539 2.457 -2.451 1.00 0.31 H new ATOM 0 HA ALA A 9 14.300 2.352 -3.077 1.00 0.33 H new ATOM 0 HB1 ALA A 9 13.812 4.475 -4.231 1.00 0.31 H new ATOM 0 HB2 ALA A 9 12.470 3.328 -4.462 1.00 0.31 H new ATOM 0 HB3 ALA A 9 12.311 4.661 -3.293 1.00 0.31 H new ATOM 130 N GLU A 10 13.656 4.590 -0.714 1.00 0.38 N ATOM 131 CA GLU A 10 14.349 5.362 0.373 1.00 0.45 C ATOM 132 C GLU A 10 15.224 4.331 1.086 1.00 0.52 C ATOM 133 O GLU A 10 16.431 4.461 1.177 1.00 0.57 O ATOM 134 CB GLU A 10 13.293 5.966 1.360 1.00 0.47 C ATOM 135 CG GLU A 10 12.297 6.949 0.650 1.00 0.68 C ATOM 136 CD GLU A 10 11.313 7.597 1.652 1.00 0.51 C ATOM 137 OE1 GLU A 10 11.827 8.242 2.553 1.00 1.92 O ATOM 138 OE2 GLU A 10 10.114 7.433 1.478 1.00 1.20 O ATOM 0 H GLU A 10 12.644 4.715 -0.751 1.00 0.38 H new ATOM 0 HA GLU A 10 14.934 6.196 -0.015 1.00 0.45 H new ATOM 0 HB2 GLU A 10 12.730 5.156 1.824 1.00 0.47 H new ATOM 0 HB3 GLU A 10 13.810 6.494 2.161 1.00 0.47 H new ATOM 0 HG2 GLU A 10 12.860 7.729 0.138 1.00 0.68 H new ATOM 0 HG3 GLU A 10 11.736 6.409 -0.112 1.00 0.68 H new ATOM 145 N GLU A 11 14.571 3.305 1.549 1.00 0.53 N ATOM 146 CA GLU A 11 15.294 2.217 2.275 1.00 0.60 C ATOM 147 C GLU A 11 16.465 1.643 1.455 1.00 0.58 C ATOM 148 O GLU A 11 17.571 1.588 1.947 1.00 0.71 O ATOM 149 CB GLU A 11 14.283 1.087 2.622 1.00 0.71 C ATOM 150 CG GLU A 11 13.316 1.600 3.739 1.00 1.01 C ATOM 151 CD GLU A 11 13.228 0.783 5.060 1.00 1.35 C ATOM 152 OE1 GLU A 11 14.229 0.261 5.552 1.00 3.31 O ATOM 153 OE2 GLU A 11 12.073 0.757 5.494 1.00 1.45 O ATOM 0 H GLU A 11 13.564 3.169 1.458 1.00 0.53 H new ATOM 0 HA GLU A 11 15.721 2.641 3.184 1.00 0.60 H new ATOM 0 HB2 GLU A 11 13.717 0.802 1.735 1.00 0.71 H new ATOM 0 HB3 GLU A 11 14.813 0.197 2.962 1.00 0.71 H new ATOM 0 HG2 GLU A 11 13.611 2.618 3.995 1.00 1.01 H new ATOM 0 HG3 GLU A 11 12.314 1.656 3.314 1.00 1.01 H new ATOM 160 N VAL A 12 16.281 1.260 0.218 1.00 0.39 N ATOM 161 CA VAL A 12 17.400 0.671 -0.597 1.00 0.41 C ATOM 162 C VAL A 12 18.514 1.680 -0.737 1.00 0.42 C ATOM 163 O VAL A 12 19.679 1.362 -0.644 1.00 0.48 O ATOM 164 CB VAL A 12 16.816 0.247 -1.986 1.00 0.34 C ATOM 165 CG1 VAL A 12 17.132 1.248 -3.133 1.00 0.32 C ATOM 166 CG2 VAL A 12 17.378 -1.114 -2.391 1.00 0.42 C ATOM 0 H VAL A 12 15.390 1.329 -0.275 1.00 0.39 H new ATOM 0 HA VAL A 12 17.822 -0.208 -0.109 1.00 0.41 H new ATOM 0 HB VAL A 12 15.734 0.220 -1.854 1.00 0.34 H new ATOM 0 HG11 VAL A 12 16.694 0.885 -4.063 1.00 0.32 H new ATOM 0 HG12 VAL A 12 16.711 2.224 -2.890 1.00 0.32 H new ATOM 0 HG13 VAL A 12 18.212 1.337 -3.251 1.00 0.32 H new ATOM 0 HG21 VAL A 12 16.968 -1.404 -3.358 1.00 0.42 H new ATOM 0 HG22 VAL A 12 18.464 -1.053 -2.461 1.00 0.42 H new ATOM 0 HG23 VAL A 12 17.104 -1.858 -1.643 1.00 0.42 H new ATOM 176 N LYS A 13 18.127 2.898 -0.969 1.00 0.41 N ATOM 177 CA LYS A 13 19.087 4.008 -1.121 1.00 0.38 C ATOM 178 C LYS A 13 19.950 4.133 0.122 1.00 0.46 C ATOM 179 O LYS A 13 21.039 4.664 0.071 1.00 0.60 O ATOM 180 CB LYS A 13 18.281 5.244 -1.354 1.00 0.46 C ATOM 181 CG LYS A 13 17.779 5.258 -2.794 1.00 0.36 C ATOM 182 CD LYS A 13 17.238 6.678 -3.080 1.00 0.52 C ATOM 183 CE LYS A 13 18.394 7.714 -3.039 1.00 0.81 C ATOM 184 NZ LYS A 13 19.482 7.234 -3.953 1.00 2.18 N ATOM 0 H LYS A 13 17.150 3.174 -1.062 1.00 0.41 H new ATOM 0 HA LYS A 13 19.766 3.836 -1.957 1.00 0.38 H new ATOM 0 HB2 LYS A 13 17.438 5.277 -0.663 1.00 0.46 H new ATOM 0 HB3 LYS A 13 18.887 6.129 -1.160 1.00 0.46 H new ATOM 0 HG2 LYS A 13 18.585 5.008 -3.484 1.00 0.36 H new ATOM 0 HG3 LYS A 13 16.996 4.513 -2.935 1.00 0.36 H new ATOM 0 HD2 LYS A 13 16.755 6.701 -4.057 1.00 0.52 H new ATOM 0 HD3 LYS A 13 16.479 6.941 -2.343 1.00 0.52 H new ATOM 0 HE2 LYS A 13 18.038 8.695 -3.354 1.00 0.81 H new ATOM 0 HE3 LYS A 13 18.771 7.823 -2.022 1.00 0.81 H new ATOM 0 HZ1 LYS A 13 20.077 8.038 -4.237 1.00 2.18 H new ATOM 0 HZ2 LYS A 13 20.066 6.530 -3.458 1.00 2.18 H new ATOM 0 HZ3 LYS A 13 19.059 6.800 -4.798 1.00 2.18 H new ATOM 198 N HIS A 14 19.403 3.644 1.195 1.00 0.42 N ATOM 199 CA HIS A 14 20.130 3.684 2.483 1.00 0.47 C ATOM 200 C HIS A 14 20.944 2.383 2.693 1.00 0.51 C ATOM 201 O HIS A 14 21.513 2.254 3.753 1.00 0.60 O ATOM 202 CB HIS A 14 19.096 3.870 3.651 1.00 0.56 C ATOM 203 CG HIS A 14 18.530 5.299 3.695 1.00 0.66 C ATOM 204 ND1 HIS A 14 17.402 5.685 3.197 1.00 0.72 N ATOM 205 CD2 HIS A 14 19.060 6.452 4.247 1.00 0.72 C ATOM 206 CE1 HIS A 14 17.233 6.954 3.411 1.00 0.83 C ATOM 207 NE2 HIS A 14 18.243 7.472 4.064 1.00 0.83 N ATOM 0 H HIS A 14 18.478 3.216 1.233 1.00 0.42 H new ATOM 0 HA HIS A 14 20.828 4.521 2.473 1.00 0.47 H new ATOM 0 HB2 HIS A 14 18.278 3.160 3.528 1.00 0.56 H new ATOM 0 HB3 HIS A 14 19.577 3.641 4.602 1.00 0.56 H new ATOM 0 HD1 HIS A 14 16.741 5.081 2.708 1.00 0.72 H new ATOM 0 HD2 HIS A 14 20.010 6.509 4.757 1.00 0.72 H new ATOM 0 HE1 HIS A 14 16.367 7.513 3.090 1.00 0.83 H new ATOM 215 N LEU A 15 20.990 1.456 1.755 1.00 0.44 N ATOM 216 CA LEU A 15 21.777 0.164 1.886 1.00 0.54 C ATOM 217 C LEU A 15 23.282 0.088 2.302 1.00 0.86 C ATOM 218 O LEU A 15 24.112 -0.466 1.608 1.00 1.52 O ATOM 219 CB LEU A 15 21.604 -0.618 0.535 1.00 0.51 C ATOM 220 CG LEU A 15 20.313 -1.441 0.577 1.00 0.78 C ATOM 221 CD1 LEU A 15 20.087 -2.057 -0.790 1.00 0.91 C ATOM 222 CD2 LEU A 15 20.521 -2.641 1.497 1.00 1.03 C ATOM 0 H LEU A 15 20.496 1.542 0.867 1.00 0.44 H new ATOM 0 HA LEU A 15 21.331 -0.242 2.794 1.00 0.54 H new ATOM 0 HB2 LEU A 15 21.574 0.082 -0.300 1.00 0.51 H new ATOM 0 HB3 LEU A 15 22.459 -1.273 0.371 1.00 0.51 H new ATOM 0 HG LEU A 15 19.495 -0.796 0.898 1.00 0.78 H new ATOM 0 HD11 LEU A 15 19.170 -2.647 -0.776 1.00 0.91 H new ATOM 0 HD12 LEU A 15 19.999 -1.266 -1.535 1.00 0.91 H new ATOM 0 HD13 LEU A 15 20.929 -2.701 -1.043 1.00 0.91 H new ATOM 0 HD21 LEU A 15 19.607 -3.234 1.534 1.00 1.03 H new ATOM 0 HD22 LEU A 15 21.337 -3.255 1.115 1.00 1.03 H new ATOM 0 HD23 LEU A 15 20.768 -2.292 2.500 1.00 1.03 H new ATOM 234 N LYS A 16 23.549 0.675 3.442 1.00 0.66 N ATOM 235 CA LYS A 16 24.873 0.770 4.148 1.00 1.04 C ATOM 236 C LYS A 16 25.992 -0.173 3.700 1.00 1.10 C ATOM 237 O LYS A 16 27.147 0.183 3.776 1.00 1.01 O ATOM 238 CB LYS A 16 24.534 0.611 5.681 1.00 1.57 C ATOM 239 CG LYS A 16 25.830 0.633 6.543 1.00 2.43 C ATOM 240 CD LYS A 16 25.566 0.588 8.090 1.00 2.44 C ATOM 241 CE LYS A 16 24.939 1.886 8.660 1.00 1.57 C ATOM 242 NZ LYS A 16 23.443 1.816 8.537 1.00 0.51 N ATOM 0 H LYS A 16 22.813 1.145 3.969 1.00 0.66 H new ATOM 0 HA LYS A 16 25.321 1.730 3.891 1.00 1.04 H new ATOM 0 HB2 LYS A 16 23.870 1.416 5.996 1.00 1.57 H new ATOM 0 HB3 LYS A 16 24.000 -0.325 5.844 1.00 1.57 H new ATOM 0 HG2 LYS A 16 26.453 -0.217 6.266 1.00 2.43 H new ATOM 0 HG3 LYS A 16 26.396 1.534 6.307 1.00 2.43 H new ATOM 0 HD2 LYS A 16 24.905 -0.250 8.311 1.00 2.44 H new ATOM 0 HD3 LYS A 16 26.508 0.396 8.604 1.00 2.44 H new ATOM 0 HE2 LYS A 16 25.223 2.011 9.705 1.00 1.57 H new ATOM 0 HE3 LYS A 16 25.319 2.753 8.120 1.00 1.57 H new ATOM 0 HZ1 LYS A 16 23.095 2.665 8.048 1.00 0.51 H new ATOM 0 HZ2 LYS A 16 23.179 0.970 7.993 1.00 0.51 H new ATOM 0 HZ3 LYS A 16 23.019 1.764 9.485 1.00 0.51 H new ATOM 256 N THR A 17 25.630 -1.328 3.259 1.00 1.27 N ATOM 257 CA THR A 17 26.628 -2.326 2.791 1.00 1.39 C ATOM 258 C THR A 17 26.508 -2.562 1.248 1.00 1.26 C ATOM 259 O THR A 17 25.953 -3.554 0.816 1.00 1.13 O ATOM 260 CB THR A 17 26.414 -3.639 3.559 1.00 1.39 C ATOM 261 OG1 THR A 17 26.489 -3.312 4.940 1.00 1.80 O ATOM 262 CG2 THR A 17 27.620 -4.544 3.456 1.00 1.53 C ATOM 0 H THR A 17 24.660 -1.638 3.198 1.00 1.27 H new ATOM 0 HA THR A 17 27.632 -1.948 2.984 1.00 1.39 H new ATOM 0 HB THR A 17 25.495 -4.090 3.184 1.00 1.39 H new ATOM 0 HG1 THR A 17 25.721 -3.699 5.410 1.00 1.80 H new ATOM 0 HG21 THR A 17 27.433 -5.463 4.011 1.00 1.53 H new ATOM 0 HG22 THR A 17 27.807 -4.784 2.409 1.00 1.53 H new ATOM 0 HG23 THR A 17 28.491 -4.039 3.873 1.00 1.53 H new ATOM 270 N LYS A 18 27.046 -1.570 0.550 1.00 1.35 N ATOM 271 CA LYS A 18 27.132 -1.469 -0.956 1.00 1.25 C ATOM 272 C LYS A 18 26.833 -2.881 -1.546 1.00 1.10 C ATOM 273 O LYS A 18 27.749 -3.667 -1.707 1.00 1.42 O ATOM 274 CB LYS A 18 28.596 -1.038 -1.383 1.00 1.65 C ATOM 275 CG LYS A 18 28.795 -1.187 -2.952 1.00 0.99 C ATOM 276 CD LYS A 18 30.308 -1.148 -3.346 1.00 0.36 C ATOM 277 CE LYS A 18 30.494 -1.637 -4.822 1.00 2.39 C ATOM 278 NZ LYS A 18 31.939 -1.484 -5.208 1.00 3.31 N ATOM 0 H LYS A 18 27.462 -0.761 1.012 1.00 1.35 H new ATOM 0 HA LYS A 18 26.420 -0.730 -1.323 1.00 1.25 H new ATOM 0 HB2 LYS A 18 28.777 -0.005 -1.086 1.00 1.65 H new ATOM 0 HB3 LYS A 18 29.328 -1.653 -0.859 1.00 1.65 H new ATOM 0 HG2 LYS A 18 28.355 -2.126 -3.288 1.00 0.99 H new ATOM 0 HG3 LYS A 18 28.264 -0.385 -3.465 1.00 0.99 H new ATOM 0 HD2 LYS A 18 30.693 -0.134 -3.240 1.00 0.36 H new ATOM 0 HD3 LYS A 18 30.884 -1.780 -2.670 1.00 0.36 H new ATOM 0 HE2 LYS A 18 30.187 -2.679 -4.915 1.00 2.39 H new ATOM 0 HE3 LYS A 18 29.861 -1.057 -5.494 1.00 2.39 H new ATOM 0 HZ1 LYS A 18 32.073 -1.807 -6.188 1.00 3.31 H new ATOM 0 HZ2 LYS A 18 32.215 -0.484 -5.132 1.00 3.31 H new ATOM 0 HZ3 LYS A 18 32.531 -2.055 -4.572 1.00 3.31 H new ATOM 292 N PRO A 19 25.589 -3.190 -1.833 1.00 0.71 N ATOM 293 CA PRO A 19 25.243 -4.520 -2.397 1.00 0.60 C ATOM 294 C PRO A 19 26.129 -4.940 -3.566 1.00 0.77 C ATOM 295 O PRO A 19 26.802 -4.133 -4.183 1.00 1.15 O ATOM 296 CB PRO A 19 23.788 -4.396 -2.786 1.00 0.52 C ATOM 297 CG PRO A 19 23.260 -3.348 -1.764 1.00 0.71 C ATOM 298 CD PRO A 19 24.402 -2.325 -1.635 1.00 0.54 C ATOM 0 HA PRO A 19 25.412 -5.314 -1.669 1.00 0.60 H new ATOM 0 HB2 PRO A 19 23.670 -4.056 -3.815 1.00 0.52 H new ATOM 0 HB3 PRO A 19 23.262 -5.347 -2.702 1.00 0.52 H new ATOM 0 HG2 PRO A 19 22.343 -2.876 -2.117 1.00 0.71 H new ATOM 0 HG3 PRO A 19 23.031 -3.810 -0.804 1.00 0.71 H new ATOM 0 HD2 PRO A 19 24.336 -1.538 -2.387 1.00 0.54 H new ATOM 0 HD3 PRO A 19 24.408 -1.836 -0.661 1.00 0.54 H new ATOM 306 N ALA A 20 26.095 -6.205 -3.884 1.00 0.53 N ATOM 307 CA ALA A 20 26.948 -6.659 -5.022 1.00 0.92 C ATOM 308 C ALA A 20 26.201 -6.274 -6.319 1.00 0.71 C ATOM 309 O ALA A 20 24.986 -6.312 -6.396 1.00 0.46 O ATOM 310 CB ALA A 20 27.135 -8.184 -4.875 1.00 1.26 C ATOM 0 H ALA A 20 25.535 -6.923 -3.425 1.00 0.53 H new ATOM 0 HA ALA A 20 27.936 -6.199 -5.041 1.00 0.92 H new ATOM 0 HB1 ALA A 20 27.755 -8.555 -5.691 1.00 1.26 H new ATOM 0 HB2 ALA A 20 27.620 -8.401 -3.923 1.00 1.26 H new ATOM 0 HB3 ALA A 20 26.162 -8.675 -4.907 1.00 1.26 H new ATOM 316 N ASP A 21 26.955 -5.915 -7.310 1.00 0.85 N ATOM 317 CA ASP A 21 26.397 -5.505 -8.619 1.00 0.71 C ATOM 318 C ASP A 21 25.216 -6.418 -9.032 1.00 0.62 C ATOM 319 O ASP A 21 24.130 -5.905 -9.181 1.00 0.52 O ATOM 320 CB ASP A 21 27.637 -5.523 -9.541 1.00 0.99 C ATOM 321 CG ASP A 21 28.704 -4.524 -9.053 1.00 1.17 C ATOM 322 OD1 ASP A 21 29.263 -4.777 -7.995 1.00 2.55 O ATOM 323 OD2 ASP A 21 28.915 -3.554 -9.756 1.00 2.50 O ATOM 0 H ASP A 21 27.974 -5.888 -7.264 1.00 0.85 H new ATOM 0 HA ASP A 21 25.930 -4.521 -8.642 1.00 0.71 H new ATOM 0 HB2 ASP A 21 28.060 -6.527 -9.568 1.00 0.99 H new ATOM 0 HB3 ASP A 21 27.340 -5.274 -10.560 1.00 0.99 H new ATOM 328 N GLU A 22 25.392 -7.703 -9.210 1.00 0.72 N ATOM 329 CA GLU A 22 24.244 -8.607 -9.602 1.00 0.75 C ATOM 330 C GLU A 22 22.920 -8.317 -8.839 1.00 0.63 C ATOM 331 O GLU A 22 21.846 -8.330 -9.410 1.00 0.69 O ATOM 332 CB GLU A 22 24.698 -10.093 -9.362 1.00 1.01 C ATOM 333 CG GLU A 22 25.977 -10.444 -10.191 1.00 1.38 C ATOM 334 CD GLU A 22 26.306 -11.950 -10.149 1.00 1.65 C ATOM 335 OE1 GLU A 22 26.686 -12.439 -9.095 1.00 2.66 O ATOM 336 OE2 GLU A 22 26.156 -12.537 -11.204 1.00 2.10 O ATOM 0 H GLU A 22 26.288 -8.178 -9.102 1.00 0.72 H new ATOM 0 HA GLU A 22 24.016 -8.420 -10.651 1.00 0.75 H new ATOM 0 HB2 GLU A 22 24.897 -10.247 -8.301 1.00 1.01 H new ATOM 0 HB3 GLU A 22 23.889 -10.770 -9.636 1.00 1.01 H new ATOM 0 HG2 GLU A 22 25.833 -10.135 -11.226 1.00 1.38 H new ATOM 0 HG3 GLU A 22 26.825 -9.878 -9.804 1.00 1.38 H new ATOM 343 N GLU A 23 23.011 -8.043 -7.568 1.00 0.60 N ATOM 344 CA GLU A 23 21.782 -7.750 -6.765 1.00 0.72 C ATOM 345 C GLU A 23 21.425 -6.261 -7.069 1.00 0.69 C ATOM 346 O GLU A 23 20.254 -5.958 -7.251 1.00 0.78 O ATOM 347 CB GLU A 23 22.181 -8.070 -5.294 1.00 0.91 C ATOM 348 CG GLU A 23 22.222 -9.655 -5.004 1.00 0.95 C ATOM 349 CD GLU A 23 20.869 -10.296 -4.587 1.00 2.04 C ATOM 350 OE1 GLU A 23 20.076 -9.651 -3.930 1.00 3.18 O ATOM 351 OE2 GLU A 23 20.583 -11.441 -4.890 1.00 2.88 O ATOM 0 H GLU A 23 23.886 -8.008 -7.045 1.00 0.60 H new ATOM 0 HA GLU A 23 20.888 -8.332 -6.990 1.00 0.72 H new ATOM 0 HB2 GLU A 23 23.159 -7.639 -5.083 1.00 0.91 H new ATOM 0 HB3 GLU A 23 21.471 -7.597 -4.616 1.00 0.91 H new ATOM 0 HG2 GLU A 23 22.583 -10.161 -5.900 1.00 0.95 H new ATOM 0 HG3 GLU A 23 22.951 -9.843 -4.216 1.00 0.95 H new ATOM 358 N MET A 24 22.415 -5.386 -7.097 1.00 0.61 N ATOM 359 CA MET A 24 22.180 -3.927 -7.407 1.00 0.69 C ATOM 360 C MET A 24 21.314 -3.923 -8.699 1.00 0.71 C ATOM 361 O MET A 24 20.239 -3.368 -8.758 1.00 0.95 O ATOM 362 CB MET A 24 23.560 -3.228 -7.649 1.00 0.46 C ATOM 363 CG MET A 24 24.442 -3.094 -6.383 1.00 0.34 C ATOM 364 SD MET A 24 26.037 -2.272 -6.648 1.00 2.38 S ATOM 365 CE MET A 24 25.830 -0.815 -5.594 1.00 0.46 C ATOM 0 H MET A 24 23.390 -5.625 -6.915 1.00 0.61 H new ATOM 0 HA MET A 24 21.682 -3.391 -6.599 1.00 0.69 H new ATOM 0 HB2 MET A 24 24.111 -3.791 -8.403 1.00 0.46 H new ATOM 0 HB3 MET A 24 23.383 -2.234 -8.060 1.00 0.46 H new ATOM 0 HG2 MET A 24 23.885 -2.540 -5.627 1.00 0.34 H new ATOM 0 HG3 MET A 24 24.625 -4.089 -5.978 1.00 0.34 H new ATOM 0 HE1 MET A 24 26.728 -0.199 -5.644 1.00 0.46 H new ATOM 0 HE2 MET A 24 24.973 -0.236 -5.938 1.00 0.46 H new ATOM 0 HE3 MET A 24 25.664 -1.131 -4.564 1.00 0.46 H new ATOM 375 N LEU A 25 21.856 -4.563 -9.703 1.00 0.47 N ATOM 376 CA LEU A 25 21.282 -4.754 -11.059 1.00 0.46 C ATOM 377 C LEU A 25 19.752 -4.959 -10.949 1.00 0.52 C ATOM 378 O LEU A 25 18.966 -4.237 -11.543 1.00 0.73 O ATOM 379 CB LEU A 25 22.125 -5.955 -11.628 1.00 0.33 C ATOM 380 CG LEU A 25 23.485 -5.509 -12.275 1.00 0.58 C ATOM 381 CD1 LEU A 25 24.150 -6.702 -12.981 1.00 0.77 C ATOM 382 CD2 LEU A 25 23.297 -4.439 -13.380 1.00 0.66 C ATOM 0 H LEU A 25 22.772 -5.003 -9.614 1.00 0.47 H new ATOM 0 HA LEU A 25 21.355 -3.910 -11.745 1.00 0.46 H new ATOM 0 HB2 LEU A 25 22.328 -6.661 -10.823 1.00 0.33 H new ATOM 0 HB3 LEU A 25 21.532 -6.485 -12.374 1.00 0.33 H new ATOM 0 HG LEU A 25 24.083 -5.111 -11.455 1.00 0.58 H new ATOM 0 HD11 LEU A 25 25.092 -6.382 -13.426 1.00 0.77 H new ATOM 0 HD12 LEU A 25 24.341 -7.493 -12.256 1.00 0.77 H new ATOM 0 HD13 LEU A 25 23.489 -7.077 -13.762 1.00 0.77 H new ATOM 0 HD21 LEU A 25 24.269 -4.167 -13.793 1.00 0.66 H new ATOM 0 HD22 LEU A 25 22.666 -4.841 -14.172 1.00 0.66 H new ATOM 0 HD23 LEU A 25 22.824 -3.555 -12.953 1.00 0.66 H new ATOM 394 N PHE A 26 19.364 -5.945 -10.178 1.00 0.46 N ATOM 395 CA PHE A 26 17.901 -6.222 -9.992 1.00 0.46 C ATOM 396 C PHE A 26 17.216 -4.945 -9.449 1.00 0.41 C ATOM 397 O PHE A 26 16.209 -4.492 -9.952 1.00 0.53 O ATOM 398 CB PHE A 26 17.734 -7.380 -8.999 1.00 0.47 C ATOM 399 CG PHE A 26 16.245 -7.755 -8.901 1.00 0.49 C ATOM 400 CD1 PHE A 26 15.317 -6.881 -8.365 1.00 2.21 C ATOM 401 CD2 PHE A 26 15.808 -8.979 -9.363 1.00 2.58 C ATOM 402 CE1 PHE A 26 13.995 -7.217 -8.298 1.00 2.16 C ATOM 403 CE2 PHE A 26 14.471 -9.319 -9.293 1.00 2.63 C ATOM 404 CZ PHE A 26 13.564 -8.430 -8.757 1.00 0.54 C ATOM 0 H PHE A 26 19.992 -6.569 -9.671 1.00 0.46 H new ATOM 0 HA PHE A 26 17.441 -6.499 -10.941 1.00 0.46 H new ATOM 0 HB2 PHE A 26 18.317 -8.241 -9.326 1.00 0.47 H new ATOM 0 HB3 PHE A 26 18.113 -7.091 -8.019 1.00 0.47 H new ATOM 0 HD1 PHE A 26 15.642 -5.920 -7.994 1.00 2.21 H new ATOM 0 HD2 PHE A 26 16.517 -9.677 -9.783 1.00 2.58 H new ATOM 0 HE1 PHE A 26 13.285 -6.519 -7.879 1.00 2.16 H new ATOM 0 HE2 PHE A 26 14.137 -10.279 -9.657 1.00 2.63 H new ATOM 0 HZ PHE A 26 12.518 -8.691 -8.700 1.00 0.54 H new ATOM 414 N ILE A 27 17.757 -4.360 -8.417 1.00 0.26 N ATOM 415 CA ILE A 27 17.100 -3.118 -7.891 1.00 0.25 C ATOM 416 C ILE A 27 17.078 -2.024 -8.965 1.00 0.31 C ATOM 417 O ILE A 27 16.050 -1.404 -9.153 1.00 0.55 O ATOM 418 CB ILE A 27 17.867 -2.712 -6.613 1.00 0.20 C ATOM 419 CG1 ILE A 27 17.229 -3.449 -5.403 1.00 0.21 C ATOM 420 CG2 ILE A 27 17.943 -1.190 -6.377 1.00 0.27 C ATOM 421 CD1 ILE A 27 15.713 -3.218 -5.208 1.00 0.39 C ATOM 0 H ILE A 27 18.596 -4.669 -7.925 1.00 0.26 H new ATOM 0 HA ILE A 27 16.054 -3.287 -7.637 1.00 0.25 H new ATOM 0 HB ILE A 27 18.906 -3.015 -6.740 1.00 0.20 H new ATOM 0 HG12 ILE A 27 17.404 -4.519 -5.518 1.00 0.21 H new ATOM 0 HG13 ILE A 27 17.746 -3.137 -4.496 1.00 0.21 H new ATOM 0 HG21 ILE A 27 18.498 -0.991 -5.460 1.00 0.27 H new ATOM 0 HG22 ILE A 27 18.450 -0.716 -7.218 1.00 0.27 H new ATOM 0 HG23 ILE A 27 16.935 -0.785 -6.286 1.00 0.27 H new ATOM 0 HD11 ILE A 27 15.369 -3.777 -4.338 1.00 0.39 H new ATOM 0 HD12 ILE A 27 15.524 -2.155 -5.055 1.00 0.39 H new ATOM 0 HD13 ILE A 27 15.176 -3.559 -6.093 1.00 0.39 H new ATOM 433 N TYR A 28 18.174 -1.791 -9.648 1.00 0.15 N ATOM 434 CA TYR A 28 18.151 -0.739 -10.706 1.00 0.08 C ATOM 435 C TYR A 28 17.001 -1.069 -11.686 1.00 0.18 C ATOM 436 O TYR A 28 16.125 -0.252 -11.878 1.00 0.18 O ATOM 437 CB TYR A 28 19.499 -0.748 -11.410 1.00 0.13 C ATOM 438 CG TYR A 28 19.648 0.559 -12.179 1.00 0.40 C ATOM 439 CD1 TYR A 28 19.939 1.696 -11.455 1.00 2.75 C ATOM 440 CD2 TYR A 28 19.511 0.646 -13.552 1.00 2.04 C ATOM 441 CE1 TYR A 28 20.097 2.905 -12.081 1.00 3.06 C ATOM 442 CE2 TYR A 28 19.671 1.873 -14.171 1.00 1.83 C ATOM 443 CZ TYR A 28 19.962 2.993 -13.435 1.00 1.11 C ATOM 444 OH TYR A 28 20.102 4.206 -14.072 1.00 1.50 O ATOM 0 H TYR A 28 19.064 -2.273 -9.521 1.00 0.15 H new ATOM 0 HA TYR A 28 17.981 0.254 -10.290 1.00 0.08 H new ATOM 0 HB2 TYR A 28 20.305 -0.855 -10.684 1.00 0.13 H new ATOM 0 HB3 TYR A 28 19.567 -1.598 -12.089 1.00 0.13 H new ATOM 0 HD1 TYR A 28 20.044 1.633 -10.382 1.00 2.75 H new ATOM 0 HD2 TYR A 28 19.282 -0.234 -14.135 1.00 2.04 H new ATOM 0 HE1 TYR A 28 20.328 3.787 -11.502 1.00 3.06 H new ATOM 0 HE2 TYR A 28 19.566 1.949 -15.243 1.00 1.83 H new ATOM 0 HH TYR A 28 19.975 4.086 -15.036 1.00 1.50 H new ATOM 454 N SER A 29 17.037 -2.240 -12.263 1.00 0.29 N ATOM 455 CA SER A 29 15.964 -2.671 -13.233 1.00 0.39 C ATOM 456 C SER A 29 14.570 -2.517 -12.623 1.00 0.39 C ATOM 457 O SER A 29 13.745 -1.783 -13.130 1.00 0.38 O ATOM 458 CB SER A 29 16.225 -4.134 -13.619 1.00 0.45 C ATOM 459 OG SER A 29 16.339 -4.829 -12.382 1.00 0.46 O ATOM 0 H SER A 29 17.770 -2.932 -12.107 1.00 0.29 H new ATOM 0 HA SER A 29 15.998 -2.036 -14.118 1.00 0.39 H new ATOM 0 HB2 SER A 29 15.410 -4.534 -14.222 1.00 0.45 H new ATOM 0 HB3 SER A 29 17.136 -4.229 -14.210 1.00 0.45 H new ATOM 0 HG SER A 29 17.270 -4.804 -12.077 1.00 0.46 H new ATOM 465 N HIS A 30 14.316 -3.205 -11.546 1.00 0.42 N ATOM 466 CA HIS A 30 12.966 -3.081 -10.907 1.00 0.34 C ATOM 467 C HIS A 30 12.631 -1.600 -10.610 1.00 0.25 C ATOM 468 O HIS A 30 11.548 -1.158 -10.939 1.00 0.21 O ATOM 469 CB HIS A 30 13.038 -3.996 -9.694 1.00 0.34 C ATOM 470 CG HIS A 30 12.740 -5.364 -10.307 1.00 0.34 C ATOM 471 ND1 HIS A 30 11.596 -5.958 -10.245 1.00 0.28 N ATOM 472 CD2 HIS A 30 13.541 -6.216 -11.048 1.00 0.46 C ATOM 473 CE1 HIS A 30 11.657 -7.084 -10.892 1.00 0.30 C ATOM 474 NE2 HIS A 30 12.849 -7.281 -11.406 1.00 0.43 N ATOM 0 H HIS A 30 14.968 -3.838 -11.083 1.00 0.42 H new ATOM 0 HA HIS A 30 12.138 -3.390 -11.545 1.00 0.34 H new ATOM 0 HB2 HIS A 30 14.019 -3.967 -9.219 1.00 0.34 H new ATOM 0 HB3 HIS A 30 12.307 -3.722 -8.933 1.00 0.34 H new ATOM 0 HD1 HIS A 30 10.772 -5.600 -9.763 1.00 0.28 H new ATOM 0 HD2 HIS A 30 14.577 -6.036 -11.296 1.00 0.46 H new ATOM 0 HE1 HIS A 30 10.830 -7.772 -10.994 1.00 0.30 H new ATOM 482 N TYR A 31 13.528 -0.867 -9.997 1.00 0.26 N ATOM 483 CA TYR A 31 13.309 0.587 -9.685 1.00 0.16 C ATOM 484 C TYR A 31 12.981 1.370 -10.993 1.00 0.21 C ATOM 485 O TYR A 31 11.985 2.059 -11.095 1.00 0.17 O ATOM 486 CB TYR A 31 14.596 1.151 -9.039 1.00 0.23 C ATOM 487 CG TYR A 31 14.348 2.586 -8.556 1.00 0.25 C ATOM 488 CD1 TYR A 31 13.400 2.877 -7.594 1.00 2.22 C ATOM 489 CD2 TYR A 31 15.067 3.614 -9.110 1.00 2.54 C ATOM 490 CE1 TYR A 31 13.182 4.186 -7.204 1.00 2.17 C ATOM 491 CE2 TYR A 31 14.847 4.917 -8.720 1.00 2.58 C ATOM 492 CZ TYR A 31 13.903 5.210 -7.766 1.00 0.31 C ATOM 493 OH TYR A 31 13.678 6.520 -7.403 1.00 0.39 O ATOM 0 H TYR A 31 14.432 -1.225 -9.689 1.00 0.26 H new ATOM 0 HA TYR A 31 12.470 0.697 -8.998 1.00 0.16 H new ATOM 0 HB2 TYR A 31 14.899 0.523 -8.201 1.00 0.23 H new ATOM 0 HB3 TYR A 31 15.413 1.136 -9.761 1.00 0.23 H new ATOM 0 HD1 TYR A 31 12.827 2.079 -7.145 1.00 2.22 H new ATOM 0 HD2 TYR A 31 15.814 3.400 -9.860 1.00 2.54 H new ATOM 0 HE1 TYR A 31 12.439 4.404 -6.451 1.00 2.17 H new ATOM 0 HE2 TYR A 31 15.421 5.714 -9.168 1.00 2.58 H new ATOM 0 HH TYR A 31 14.282 7.107 -7.904 1.00 0.39 H new ATOM 503 N LYS A 32 13.862 1.249 -11.956 1.00 0.31 N ATOM 504 CA LYS A 32 13.741 1.909 -13.291 1.00 0.43 C ATOM 505 C LYS A 32 12.365 1.544 -13.898 1.00 0.39 C ATOM 506 O LYS A 32 11.649 2.405 -14.378 1.00 0.69 O ATOM 507 CB LYS A 32 14.920 1.386 -14.128 1.00 0.61 C ATOM 508 CG LYS A 32 16.287 2.175 -14.079 1.00 1.34 C ATOM 509 CD LYS A 32 16.676 2.821 -12.711 1.00 1.19 C ATOM 510 CE LYS A 32 16.464 4.361 -12.726 1.00 1.63 C ATOM 511 NZ LYS A 32 17.717 5.131 -13.111 1.00 1.89 N ATOM 0 H LYS A 32 14.707 0.686 -11.861 1.00 0.31 H new ATOM 0 HA LYS A 32 13.785 2.997 -13.245 1.00 0.43 H new ATOM 0 HB2 LYS A 32 15.118 0.360 -13.817 1.00 0.61 H new ATOM 0 HB3 LYS A 32 14.597 1.347 -15.168 1.00 0.61 H new ATOM 0 HG2 LYS A 32 17.085 1.492 -14.372 1.00 1.34 H new ATOM 0 HG3 LYS A 32 16.251 2.964 -14.830 1.00 1.34 H new ATOM 0 HD2 LYS A 32 16.077 2.378 -11.915 1.00 1.19 H new ATOM 0 HD3 LYS A 32 17.719 2.599 -12.486 1.00 1.19 H new ATOM 0 HE2 LYS A 32 15.665 4.605 -13.426 1.00 1.63 H new ATOM 0 HE3 LYS A 32 16.134 4.686 -11.739 1.00 1.63 H new ATOM 0 HZ1 LYS A 32 18.053 5.678 -12.293 1.00 1.89 H new ATOM 0 HZ2 LYS A 32 18.457 4.464 -13.409 1.00 1.89 H new ATOM 0 HZ3 LYS A 32 17.499 5.779 -13.895 1.00 1.89 H new ATOM 525 N GLN A 33 12.053 0.276 -13.852 1.00 0.26 N ATOM 526 CA GLN A 33 10.795 -0.211 -14.375 1.00 0.21 C ATOM 527 C GLN A 33 9.615 0.425 -13.624 1.00 0.19 C ATOM 528 O GLN A 33 8.665 0.844 -14.244 1.00 0.56 O ATOM 529 CB GLN A 33 10.847 -1.735 -14.228 1.00 0.21 C ATOM 530 CG GLN A 33 9.563 -2.141 -14.851 1.00 1.09 C ATOM 531 CD GLN A 33 9.359 -3.621 -15.096 1.00 2.13 C ATOM 532 OE1 GLN A 33 9.350 -4.480 -14.245 1.00 3.44 O ATOM 533 NE2 GLN A 33 9.184 -3.974 -16.309 1.00 2.48 N ATOM 0 H GLN A 33 12.654 -0.446 -13.456 1.00 0.26 H new ATOM 0 HA GLN A 33 10.645 0.059 -15.420 1.00 0.21 H new ATOM 0 HB2 GLN A 33 11.706 -2.167 -14.742 1.00 0.21 H new ATOM 0 HB3 GLN A 33 10.911 -2.044 -13.185 1.00 0.21 H new ATOM 0 HG2 GLN A 33 8.751 -1.787 -14.216 1.00 1.09 H new ATOM 0 HG3 GLN A 33 9.470 -1.623 -15.806 1.00 1.09 H new ATOM 0 HE21 GLN A 33 9.186 -3.273 -17.050 1.00 2.48 H new ATOM 0 HE22 GLN A 33 9.042 -4.958 -16.538 1.00 2.48 H new ATOM 542 N ALA A 34 9.682 0.481 -12.326 1.00 0.33 N ATOM 543 CA ALA A 34 8.576 1.084 -11.527 1.00 0.52 C ATOM 544 C ALA A 34 8.558 2.633 -11.404 1.00 0.56 C ATOM 545 O ALA A 34 7.617 3.160 -10.839 1.00 0.74 O ATOM 546 CB ALA A 34 8.675 0.423 -10.179 1.00 0.55 C ATOM 0 H ALA A 34 10.465 0.131 -11.775 1.00 0.33 H new ATOM 0 HA ALA A 34 7.635 0.903 -12.047 1.00 0.52 H new ATOM 0 HB1 ALA A 34 7.894 0.811 -9.525 1.00 0.55 H new ATOM 0 HB2 ALA A 34 8.552 -0.654 -10.292 1.00 0.55 H new ATOM 0 HB3 ALA A 34 9.651 0.633 -9.742 1.00 0.55 H new ATOM 552 N THR A 35 9.544 3.313 -11.926 1.00 0.51 N ATOM 553 CA THR A 35 9.571 4.824 -11.833 1.00 0.67 C ATOM 554 C THR A 35 9.431 5.407 -13.233 1.00 0.71 C ATOM 555 O THR A 35 8.595 6.253 -13.482 1.00 0.86 O ATOM 556 CB THR A 35 10.892 5.327 -11.263 1.00 0.71 C ATOM 557 OG1 THR A 35 11.861 4.635 -12.029 1.00 0.58 O ATOM 558 CG2 THR A 35 11.145 4.838 -9.860 1.00 0.68 C ATOM 0 H THR A 35 10.337 2.898 -12.415 1.00 0.51 H new ATOM 0 HA THR A 35 8.755 5.131 -11.179 1.00 0.67 H new ATOM 0 HB THR A 35 10.906 6.417 -11.278 1.00 0.71 H new ATOM 0 HG1 THR A 35 11.996 3.740 -11.654 1.00 0.58 H new ATOM 0 HG21 THR A 35 12.099 5.227 -9.506 1.00 0.68 H new ATOM 0 HG22 THR A 35 10.346 5.184 -9.204 1.00 0.68 H new ATOM 0 HG23 THR A 35 11.173 3.748 -9.854 1.00 0.68 H new ATOM 566 N VAL A 36 10.267 4.921 -14.114 1.00 0.58 N ATOM 567 CA VAL A 36 10.261 5.388 -15.537 1.00 0.57 C ATOM 568 C VAL A 36 9.320 4.484 -16.360 1.00 0.60 C ATOM 569 O VAL A 36 8.405 4.942 -17.019 1.00 0.68 O ATOM 570 CB VAL A 36 11.737 5.318 -16.100 1.00 0.48 C ATOM 571 CG1 VAL A 36 11.791 5.877 -17.540 1.00 0.63 C ATOM 572 CG2 VAL A 36 12.690 6.156 -15.239 1.00 0.55 C ATOM 0 H VAL A 36 10.966 4.208 -13.906 1.00 0.58 H new ATOM 0 HA VAL A 36 9.904 6.416 -15.603 1.00 0.57 H new ATOM 0 HB VAL A 36 12.041 4.271 -16.084 1.00 0.48 H new ATOM 0 HG11 VAL A 36 12.814 5.822 -17.914 1.00 0.63 H new ATOM 0 HG12 VAL A 36 11.137 5.288 -18.184 1.00 0.63 H new ATOM 0 HG13 VAL A 36 11.460 6.916 -17.540 1.00 0.63 H new ATOM 0 HG21 VAL A 36 13.699 6.092 -15.646 1.00 0.55 H new ATOM 0 HG22 VAL A 36 12.363 7.196 -15.241 1.00 0.55 H new ATOM 0 HG23 VAL A 36 12.686 5.776 -14.217 1.00 0.55 H new ATOM 582 N GLY A 37 9.589 3.210 -16.285 1.00 0.60 N ATOM 583 CA GLY A 37 8.792 2.155 -17.021 1.00 0.63 C ATOM 584 C GLY A 37 9.747 1.431 -17.963 1.00 0.43 C ATOM 585 O GLY A 37 10.560 0.631 -17.539 1.00 0.42 O ATOM 0 H GLY A 37 10.354 2.832 -15.726 1.00 0.60 H new ATOM 0 HA2 GLY A 37 8.343 1.454 -16.317 1.00 0.63 H new ATOM 0 HA3 GLY A 37 7.976 2.612 -17.580 1.00 0.63 H new ATOM 589 N ASP A 38 9.625 1.730 -19.227 1.00 0.53 N ATOM 590 CA ASP A 38 10.503 1.106 -20.253 1.00 0.67 C ATOM 591 C ASP A 38 11.779 1.934 -20.437 1.00 0.57 C ATOM 592 O ASP A 38 11.812 3.150 -20.350 1.00 1.44 O ATOM 593 CB ASP A 38 9.729 1.036 -21.601 1.00 1.04 C ATOM 594 CG ASP A 38 8.630 -0.024 -21.581 1.00 1.78 C ATOM 595 OD1 ASP A 38 8.203 -0.405 -20.500 1.00 1.78 O ATOM 596 OD2 ASP A 38 8.291 -0.380 -22.696 1.00 2.40 O ATOM 0 H ASP A 38 8.942 2.391 -19.597 1.00 0.53 H new ATOM 0 HA ASP A 38 10.782 0.104 -19.928 1.00 0.67 H new ATOM 0 HB2 ASP A 38 9.288 2.010 -21.816 1.00 1.04 H new ATOM 0 HB3 ASP A 38 10.428 0.817 -22.408 1.00 1.04 H new ATOM 601 N ILE A 39 12.830 1.235 -20.703 1.00 1.06 N ATOM 602 CA ILE A 39 14.109 1.930 -20.899 1.00 0.86 C ATOM 603 C ILE A 39 14.102 2.733 -22.227 1.00 1.26 C ATOM 604 O ILE A 39 14.502 2.272 -23.275 1.00 2.10 O ATOM 605 CB ILE A 39 15.098 0.777 -20.775 1.00 0.96 C ATOM 606 CG1 ILE A 39 16.487 1.339 -20.679 1.00 0.75 C ATOM 607 CG2 ILE A 39 15.001 -0.246 -21.934 1.00 1.49 C ATOM 608 CD1 ILE A 39 17.331 0.212 -20.103 1.00 0.90 C ATOM 0 H ILE A 39 12.858 0.219 -20.793 1.00 1.06 H new ATOM 0 HA ILE A 39 14.360 2.719 -20.189 1.00 0.86 H new ATOM 0 HB ILE A 39 14.846 0.222 -19.871 1.00 0.96 H new ATOM 0 HG12 ILE A 39 16.856 1.648 -21.657 1.00 0.75 H new ATOM 0 HG13 ILE A 39 16.513 2.219 -20.036 1.00 0.75 H new ATOM 0 HG21 ILE A 39 15.733 -1.039 -21.781 1.00 1.49 H new ATOM 0 HG22 ILE A 39 14.000 -0.676 -21.957 1.00 1.49 H new ATOM 0 HG23 ILE A 39 15.202 0.256 -22.880 1.00 1.49 H new ATOM 0 HD11 ILE A 39 18.364 0.546 -20.002 1.00 0.90 H new ATOM 0 HD12 ILE A 39 16.943 -0.069 -19.124 1.00 0.90 H new ATOM 0 HD13 ILE A 39 17.292 -0.649 -20.770 1.00 0.90 H new ATOM 620 N ASN A 40 13.654 3.967 -22.179 1.00 1.42 N ATOM 621 CA ASN A 40 13.601 4.816 -23.421 1.00 2.28 C ATOM 622 C ASN A 40 14.927 5.573 -23.615 1.00 2.49 C ATOM 623 O ASN A 40 14.994 6.655 -24.166 1.00 3.23 O ATOM 624 CB ASN A 40 12.388 5.786 -23.253 1.00 2.71 C ATOM 625 CG ASN A 40 12.626 6.764 -22.103 1.00 2.65 C ATOM 626 OD1 ASN A 40 12.984 6.379 -21.014 1.00 2.49 O ATOM 627 ND2 ASN A 40 12.454 8.039 -22.251 1.00 3.33 N ATOM 0 H ASN A 40 13.321 4.427 -21.331 1.00 1.42 H new ATOM 0 HA ASN A 40 13.468 4.207 -24.315 1.00 2.28 H new ATOM 0 HB2 ASN A 40 12.229 6.339 -24.179 1.00 2.71 H new ATOM 0 HB3 ASN A 40 11.481 5.211 -23.065 1.00 2.71 H new ATOM 0 HD21 ASN A 40 12.620 8.670 -21.467 1.00 3.33 H new ATOM 0 HD22 ASN A 40 12.153 8.412 -23.151 1.00 3.33 H new ATOM 634 N THR A 41 15.936 4.916 -23.121 1.00 1.87 N ATOM 635 CA THR A 41 17.356 5.412 -23.176 1.00 1.98 C ATOM 636 C THR A 41 18.178 4.401 -23.997 1.00 1.96 C ATOM 637 O THR A 41 17.661 3.359 -24.353 1.00 1.94 O ATOM 638 CB THR A 41 17.947 5.495 -21.748 1.00 1.82 C ATOM 639 OG1 THR A 41 18.133 4.136 -21.369 1.00 1.72 O ATOM 640 CG2 THR A 41 16.919 5.954 -20.704 1.00 1.81 C ATOM 0 H THR A 41 15.838 4.012 -22.658 1.00 1.87 H new ATOM 0 HA THR A 41 17.386 6.403 -23.629 1.00 1.98 H new ATOM 0 HB THR A 41 18.810 6.160 -21.770 1.00 1.82 H new ATOM 0 HG1 THR A 41 18.511 4.097 -20.466 1.00 1.72 H new ATOM 0 HG21 THR A 41 17.390 5.993 -19.722 1.00 1.81 H new ATOM 0 HG22 THR A 41 16.549 6.944 -20.969 1.00 1.81 H new ATOM 0 HG23 THR A 41 16.087 5.250 -20.679 1.00 1.81 H new ATOM 648 N GLU A 42 19.423 4.681 -24.288 1.00 2.17 N ATOM 649 CA GLU A 42 20.226 3.695 -25.089 1.00 2.31 C ATOM 650 C GLU A 42 21.268 2.983 -24.195 1.00 1.72 C ATOM 651 O GLU A 42 21.589 3.410 -23.101 1.00 1.40 O ATOM 652 CB GLU A 42 20.909 4.484 -26.258 1.00 3.13 C ATOM 653 CG GLU A 42 22.102 5.354 -25.745 1.00 3.32 C ATOM 654 CD GLU A 42 22.701 6.309 -26.801 1.00 4.09 C ATOM 655 OE1 GLU A 42 22.218 6.342 -27.921 1.00 5.90 O ATOM 656 OE2 GLU A 42 23.637 6.964 -26.378 1.00 2.99 O ATOM 0 H GLU A 42 19.915 5.531 -24.014 1.00 2.17 H new ATOM 0 HA GLU A 42 19.584 2.914 -25.497 1.00 2.31 H new ATOM 0 HB2 GLU A 42 21.267 3.782 -27.011 1.00 3.13 H new ATOM 0 HB3 GLU A 42 20.173 5.125 -26.744 1.00 3.13 H new ATOM 0 HG2 GLU A 42 21.765 5.942 -24.892 1.00 3.32 H new ATOM 0 HG3 GLU A 42 22.889 4.692 -25.385 1.00 3.32 H new ATOM 663 N ARG A 43 21.752 1.883 -24.691 1.00 1.84 N ATOM 664 CA ARG A 43 22.775 1.054 -23.979 1.00 1.31 C ATOM 665 C ARG A 43 24.150 1.777 -23.901 1.00 1.24 C ATOM 666 O ARG A 43 24.787 1.945 -24.922 1.00 1.22 O ATOM 667 CB ARG A 43 22.802 -0.243 -24.774 1.00 1.23 C ATOM 668 CG ARG A 43 23.684 -1.278 -24.075 1.00 0.90 C ATOM 669 CD ARG A 43 23.400 -2.623 -24.727 1.00 1.45 C ATOM 670 NE ARG A 43 23.878 -3.651 -23.754 1.00 1.75 N ATOM 671 CZ ARG A 43 24.722 -4.564 -24.002 1.00 1.65 C ATOM 672 NH1 ARG A 43 25.776 -4.269 -24.645 1.00 2.72 N ATOM 673 NH2 ARG A 43 24.402 -5.710 -23.561 1.00 2.93 N ATOM 0 H ARG A 43 21.472 1.505 -25.596 1.00 1.84 H new ATOM 0 HA ARG A 43 22.534 0.870 -22.932 1.00 1.31 H new ATOM 0 HB2 ARG A 43 21.790 -0.632 -24.882 1.00 1.23 H new ATOM 0 HB3 ARG A 43 23.179 -0.053 -25.779 1.00 1.23 H new ATOM 0 HG2 ARG A 43 24.737 -1.017 -24.175 1.00 0.90 H new ATOM 0 HG3 ARG A 43 23.464 -1.313 -23.008 1.00 0.90 H new ATOM 0 HD2 ARG A 43 22.336 -2.742 -24.932 1.00 1.45 H new ATOM 0 HD3 ARG A 43 23.920 -2.714 -25.680 1.00 1.45 H new ATOM 0 HE ARG A 43 23.493 -3.615 -22.810 1.00 1.75 H new ATOM 0 HH11 ARG A 43 25.933 -3.310 -24.954 1.00 2.72 H new ATOM 0 HH12 ARG A 43 26.465 -4.991 -24.853 1.00 2.72 H new ATOM 0 HH21 ARG A 43 23.526 -5.835 -23.054 1.00 2.93 H new ATOM 0 HH22 ARG A 43 25.021 -6.506 -23.713 1.00 2.93 H new ATOM 687 N PRO A 44 24.597 2.171 -22.727 1.00 1.31 N ATOM 688 CA PRO A 44 25.905 2.881 -22.558 1.00 1.44 C ATOM 689 C PRO A 44 27.159 2.355 -23.280 1.00 1.46 C ATOM 690 O PRO A 44 27.600 1.256 -23.042 1.00 0.85 O ATOM 691 CB PRO A 44 26.079 2.931 -21.042 1.00 1.37 C ATOM 692 CG PRO A 44 24.596 3.061 -20.570 1.00 1.54 C ATOM 693 CD PRO A 44 23.906 1.981 -21.424 1.00 1.39 C ATOM 0 HA PRO A 44 25.837 3.844 -23.064 1.00 1.44 H new ATOM 0 HB2 PRO A 44 26.557 2.032 -20.653 1.00 1.37 H new ATOM 0 HB3 PRO A 44 26.687 3.778 -20.725 1.00 1.37 H new ATOM 0 HG2 PRO A 44 24.487 2.871 -19.502 1.00 1.54 H new ATOM 0 HG3 PRO A 44 24.191 4.055 -20.760 1.00 1.54 H new ATOM 0 HD2 PRO A 44 24.053 0.979 -21.021 1.00 1.39 H new ATOM 0 HD3 PRO A 44 22.830 2.139 -21.500 1.00 1.39 H new ATOM 701 N GLY A 45 27.708 3.165 -24.149 1.00 2.29 N ATOM 702 CA GLY A 45 28.948 2.763 -24.923 1.00 2.48 C ATOM 703 C GLY A 45 30.291 2.975 -24.207 1.00 2.69 C ATOM 704 O GLY A 45 31.329 2.831 -24.822 1.00 3.18 O ATOM 0 H GLY A 45 27.356 4.098 -24.365 1.00 2.29 H new ATOM 0 HA2 GLY A 45 28.862 1.708 -25.185 1.00 2.48 H new ATOM 0 HA3 GLY A 45 28.965 3.323 -25.858 1.00 2.48 H new ATOM 708 N MET A 46 30.222 3.322 -22.950 1.00 2.64 N ATOM 709 CA MET A 46 31.466 3.552 -22.132 1.00 2.82 C ATOM 710 C MET A 46 31.863 2.351 -21.238 1.00 2.58 C ATOM 711 O MET A 46 32.792 1.619 -21.513 1.00 2.72 O ATOM 712 CB MET A 46 31.269 4.803 -21.230 1.00 3.22 C ATOM 713 CG MET A 46 31.282 6.076 -22.075 1.00 3.37 C ATOM 714 SD MET A 46 32.649 6.291 -23.243 1.00 1.40 S ATOM 715 CE MET A 46 33.969 6.727 -22.082 1.00 1.80 C ATOM 0 H MET A 46 29.349 3.460 -22.442 1.00 2.64 H new ATOM 0 HA MET A 46 32.276 3.696 -22.847 1.00 2.82 H new ATOM 0 HB2 MET A 46 30.324 4.726 -20.692 1.00 3.22 H new ATOM 0 HB3 MET A 46 32.060 4.848 -20.481 1.00 3.22 H new ATOM 0 HG2 MET A 46 30.349 6.115 -22.638 1.00 3.37 H new ATOM 0 HG3 MET A 46 31.282 6.930 -21.397 1.00 3.37 H new ATOM 0 HE1 MET A 46 34.895 6.897 -22.631 1.00 1.80 H new ATOM 0 HE2 MET A 46 33.695 7.634 -21.543 1.00 1.80 H new ATOM 0 HE3 MET A 46 34.112 5.913 -21.372 1.00 1.80 H new ATOM 725 N LEU A 47 31.123 2.188 -20.171 1.00 2.25 N ATOM 726 CA LEU A 47 31.384 1.074 -19.196 1.00 2.03 C ATOM 727 C LEU A 47 30.366 -0.063 -19.359 1.00 2.05 C ATOM 728 O LEU A 47 29.337 0.094 -19.989 1.00 4.09 O ATOM 729 CB LEU A 47 31.286 1.617 -17.742 1.00 1.58 C ATOM 730 CG LEU A 47 31.740 3.086 -17.602 1.00 2.88 C ATOM 731 CD1 LEU A 47 31.689 3.427 -16.112 1.00 4.18 C ATOM 732 CD2 LEU A 47 33.179 3.300 -18.116 1.00 1.95 C ATOM 0 H LEU A 47 30.335 2.787 -19.926 1.00 2.25 H new ATOM 0 HA LEU A 47 32.383 0.686 -19.396 1.00 2.03 H new ATOM 0 HB2 LEU A 47 30.255 1.529 -17.398 1.00 1.58 H new ATOM 0 HB3 LEU A 47 31.895 0.993 -17.088 1.00 1.58 H new ATOM 0 HG LEU A 47 31.086 3.723 -18.197 1.00 2.88 H new ATOM 0 HD11 LEU A 47 32.003 4.460 -15.964 1.00 4.18 H new ATOM 0 HD12 LEU A 47 30.671 3.301 -15.745 1.00 4.18 H new ATOM 0 HD13 LEU A 47 32.357 2.763 -15.564 1.00 4.18 H new ATOM 0 HD21 LEU A 47 33.456 4.348 -17.998 1.00 1.95 H new ATOM 0 HD22 LEU A 47 33.866 2.677 -17.544 1.00 1.95 H new ATOM 0 HD23 LEU A 47 33.233 3.027 -19.170 1.00 1.95 H new ATOM 744 N ASP A 48 30.668 -1.180 -18.759 1.00 0.43 N ATOM 745 CA ASP A 48 29.751 -2.351 -18.856 1.00 0.99 C ATOM 746 C ASP A 48 28.836 -2.537 -17.664 1.00 1.16 C ATOM 747 O ASP A 48 27.641 -2.369 -17.813 1.00 1.23 O ATOM 748 CB ASP A 48 30.665 -3.580 -19.113 1.00 1.88 C ATOM 749 CG ASP A 48 31.412 -3.324 -20.415 1.00 2.21 C ATOM 750 OD1 ASP A 48 30.713 -3.120 -21.401 1.00 1.79 O ATOM 751 OD2 ASP A 48 32.620 -3.349 -20.338 1.00 3.69 O ATOM 0 H ASP A 48 31.511 -1.333 -18.205 1.00 0.43 H new ATOM 0 HA ASP A 48 29.041 -2.199 -19.669 1.00 0.99 H new ATOM 0 HB2 ASP A 48 31.365 -3.717 -18.289 1.00 1.88 H new ATOM 0 HB3 ASP A 48 30.072 -4.492 -19.183 1.00 1.88 H new ATOM 756 N PHE A 49 29.404 -2.871 -16.536 1.00 1.47 N ATOM 757 CA PHE A 49 28.558 -3.070 -15.318 1.00 2.01 C ATOM 758 C PHE A 49 27.623 -1.850 -15.149 1.00 1.84 C ATOM 759 O PHE A 49 26.406 -1.900 -15.177 1.00 1.95 O ATOM 760 CB PHE A 49 29.544 -3.302 -14.087 1.00 2.75 C ATOM 761 CG PHE A 49 30.144 -1.998 -13.543 1.00 2.83 C ATOM 762 CD1 PHE A 49 31.015 -1.201 -14.266 1.00 2.93 C ATOM 763 CD2 PHE A 49 29.762 -1.599 -12.287 1.00 4.46 C ATOM 764 CE1 PHE A 49 31.483 -0.021 -13.726 1.00 3.58 C ATOM 765 CE2 PHE A 49 30.218 -0.431 -11.739 1.00 4.63 C ATOM 766 CZ PHE A 49 31.086 0.370 -12.460 1.00 3.70 C ATOM 0 H PHE A 49 30.405 -3.014 -16.403 1.00 1.47 H new ATOM 0 HA PHE A 49 27.908 -3.942 -15.394 1.00 2.01 H new ATOM 0 HB2 PHE A 49 29.004 -3.808 -13.287 1.00 2.75 H new ATOM 0 HB3 PHE A 49 30.352 -3.966 -14.396 1.00 2.75 H new ATOM 0 HD1 PHE A 49 31.329 -1.503 -15.254 1.00 2.93 H new ATOM 0 HD2 PHE A 49 29.086 -2.221 -11.718 1.00 4.46 H new ATOM 0 HE1 PHE A 49 32.161 0.599 -14.293 1.00 3.58 H new ATOM 0 HE2 PHE A 49 29.902 -0.136 -10.749 1.00 4.63 H new ATOM 0 HZ PHE A 49 31.451 1.294 -12.037 1.00 3.70 H new ATOM 776 N LYS A 50 28.218 -0.719 -14.995 1.00 1.81 N ATOM 777 CA LYS A 50 27.390 0.505 -14.826 1.00 1.94 C ATOM 778 C LYS A 50 27.283 1.206 -16.198 1.00 1.46 C ATOM 779 O LYS A 50 27.843 2.236 -16.509 1.00 1.88 O ATOM 780 CB LYS A 50 28.038 1.409 -13.825 1.00 2.35 C ATOM 781 CG LYS A 50 26.967 2.351 -13.194 1.00 2.83 C ATOM 782 CD LYS A 50 27.638 3.371 -12.225 1.00 2.88 C ATOM 783 CE LYS A 50 26.605 4.010 -11.265 1.00 5.43 C ATOM 784 NZ LYS A 50 25.537 4.688 -12.044 1.00 7.48 N ATOM 0 H LYS A 50 29.228 -0.579 -14.977 1.00 1.81 H new ATOM 0 HA LYS A 50 26.393 0.250 -14.465 1.00 1.94 H new ATOM 0 HB2 LYS A 50 28.520 0.818 -13.046 1.00 2.35 H new ATOM 0 HB3 LYS A 50 28.818 2.000 -14.306 1.00 2.35 H new ATOM 0 HG2 LYS A 50 26.435 2.885 -13.981 1.00 2.83 H new ATOM 0 HG3 LYS A 50 26.228 1.760 -12.654 1.00 2.83 H new ATOM 0 HD2 LYS A 50 28.412 2.868 -11.645 1.00 2.88 H new ATOM 0 HD3 LYS A 50 28.131 4.153 -12.803 1.00 2.88 H new ATOM 0 HE2 LYS A 50 26.168 3.243 -10.625 1.00 5.43 H new ATOM 0 HE3 LYS A 50 27.100 4.727 -10.611 1.00 5.43 H new ATOM 0 HZ1 LYS A 50 24.966 5.281 -11.408 1.00 7.48 H new ATOM 0 HZ2 LYS A 50 25.969 5.284 -12.779 1.00 7.48 H new ATOM 0 HZ3 LYS A 50 24.927 3.974 -12.492 1.00 7.48 H new ATOM 798 N GLY A 51 26.518 0.513 -16.957 1.00 1.51 N ATOM 799 CA GLY A 51 26.170 0.885 -18.362 1.00 1.07 C ATOM 800 C GLY A 51 25.349 -0.176 -19.086 1.00 0.70 C ATOM 801 O GLY A 51 24.132 -0.124 -19.114 1.00 0.91 O ATOM 0 H GLY A 51 26.083 -0.358 -16.652 1.00 1.51 H new ATOM 0 HA2 GLY A 51 25.613 1.822 -18.354 1.00 1.07 H new ATOM 0 HA3 GLY A 51 27.089 1.066 -18.920 1.00 1.07 H new ATOM 805 N LYS A 52 26.057 -1.116 -19.634 1.00 0.27 N ATOM 806 CA LYS A 52 25.341 -2.194 -20.361 1.00 0.22 C ATOM 807 C LYS A 52 24.549 -3.066 -19.387 1.00 0.12 C ATOM 808 O LYS A 52 23.407 -3.306 -19.667 1.00 0.44 O ATOM 809 CB LYS A 52 26.351 -3.069 -21.152 1.00 0.59 C ATOM 810 CG LYS A 52 26.905 -2.326 -22.412 1.00 0.46 C ATOM 811 CD LYS A 52 28.024 -1.346 -22.041 1.00 1.74 C ATOM 812 CE LYS A 52 28.927 -0.975 -23.216 1.00 1.97 C ATOM 813 NZ LYS A 52 29.735 -2.191 -23.526 1.00 1.29 N ATOM 0 H LYS A 52 27.074 -1.187 -19.613 1.00 0.27 H new ATOM 0 HA LYS A 52 24.645 -1.732 -21.061 1.00 0.22 H new ATOM 0 HB2 LYS A 52 27.180 -3.346 -20.500 1.00 0.59 H new ATOM 0 HB3 LYS A 52 25.865 -3.995 -21.461 1.00 0.59 H new ATOM 0 HG2 LYS A 52 27.282 -3.055 -23.129 1.00 0.46 H new ATOM 0 HG3 LYS A 52 26.095 -1.786 -22.902 1.00 0.46 H new ATOM 0 HD2 LYS A 52 27.580 -0.438 -21.634 1.00 1.74 H new ATOM 0 HD3 LYS A 52 28.633 -1.785 -21.250 1.00 1.74 H new ATOM 0 HE2 LYS A 52 28.336 -0.671 -24.080 1.00 1.97 H new ATOM 0 HE3 LYS A 52 29.572 -0.135 -22.960 1.00 1.97 H new ATOM 0 HZ1 LYS A 52 30.676 -1.906 -23.866 1.00 1.29 H new ATOM 0 HZ2 LYS A 52 29.838 -2.768 -22.667 1.00 1.29 H new ATOM 0 HZ3 LYS A 52 29.256 -2.748 -24.262 1.00 1.29 H new ATOM 827 N ALA A 53 25.125 -3.449 -18.276 1.00 0.54 N ATOM 828 CA ALA A 53 24.405 -4.317 -17.306 1.00 0.68 C ATOM 829 C ALA A 53 23.179 -3.535 -16.808 1.00 0.68 C ATOM 830 O ALA A 53 22.062 -3.952 -17.028 1.00 0.67 O ATOM 831 CB ALA A 53 25.360 -4.650 -16.141 1.00 0.93 C ATOM 0 H ALA A 53 26.073 -3.193 -18.000 1.00 0.54 H new ATOM 0 HA ALA A 53 24.079 -5.252 -17.762 1.00 0.68 H new ATOM 0 HB1 ALA A 53 24.847 -5.286 -15.420 1.00 0.93 H new ATOM 0 HB2 ALA A 53 26.236 -5.172 -16.526 1.00 0.93 H new ATOM 0 HB3 ALA A 53 25.673 -3.727 -15.652 1.00 0.93 H new ATOM 837 N LYS A 54 23.396 -2.424 -16.132 1.00 0.76 N ATOM 838 CA LYS A 54 22.197 -1.659 -15.669 1.00 0.85 C ATOM 839 C LYS A 54 21.237 -1.341 -16.829 1.00 0.62 C ATOM 840 O LYS A 54 20.076 -1.108 -16.536 1.00 0.58 O ATOM 841 CB LYS A 54 22.584 -0.344 -15.037 1.00 1.20 C ATOM 842 CG LYS A 54 23.870 0.164 -15.624 1.00 0.61 C ATOM 843 CD LYS A 54 24.146 1.445 -14.945 1.00 1.04 C ATOM 844 CE LYS A 54 23.250 2.546 -15.485 1.00 2.00 C ATOM 845 NZ LYS A 54 22.808 3.393 -14.356 1.00 0.97 N ATOM 0 H LYS A 54 24.307 -2.032 -15.892 1.00 0.76 H new ATOM 0 HA LYS A 54 21.705 -2.301 -14.938 1.00 0.85 H new ATOM 0 HB2 LYS A 54 21.792 0.388 -15.193 1.00 1.20 H new ATOM 0 HB3 LYS A 54 22.694 -0.470 -13.960 1.00 1.20 H new ATOM 0 HG2 LYS A 54 24.681 -0.546 -15.462 1.00 0.61 H new ATOM 0 HG3 LYS A 54 23.779 0.304 -16.701 1.00 0.61 H new ATOM 0 HD2 LYS A 54 23.988 1.335 -13.872 1.00 1.04 H new ATOM 0 HD3 LYS A 54 25.192 1.719 -15.086 1.00 1.04 H new ATOM 0 HE2 LYS A 54 23.788 3.145 -16.219 1.00 2.00 H new ATOM 0 HE3 LYS A 54 22.388 2.116 -15.995 1.00 2.00 H new ATOM 0 HZ1 LYS A 54 21.777 3.525 -14.404 1.00 0.97 H new ATOM 0 HZ2 LYS A 54 23.057 2.932 -13.458 1.00 0.97 H new ATOM 0 HZ3 LYS A 54 23.278 4.319 -14.412 1.00 0.97 H new ATOM 859 N TRP A 55 21.661 -1.299 -18.085 1.00 0.64 N ATOM 860 CA TRP A 55 20.648 -0.991 -19.160 1.00 0.44 C ATOM 861 C TRP A 55 20.000 -2.356 -19.354 1.00 0.21 C ATOM 862 O TRP A 55 18.836 -2.529 -19.058 1.00 0.64 O ATOM 863 CB TRP A 55 21.374 -0.519 -20.450 1.00 0.70 C ATOM 864 CG TRP A 55 20.371 0.231 -21.330 1.00 0.82 C ATOM 865 CD1 TRP A 55 19.985 1.515 -21.111 1.00 1.02 C ATOM 866 CD2 TRP A 55 19.703 -0.263 -22.392 1.00 0.88 C ATOM 867 NE1 TRP A 55 19.091 1.718 -22.060 1.00 1.16 N ATOM 868 CE2 TRP A 55 18.846 0.712 -22.891 1.00 1.16 C ATOM 869 CE3 TRP A 55 19.755 -1.514 -23.002 1.00 0.80 C ATOM 870 CZ2 TRP A 55 18.037 0.431 -23.993 1.00 1.42 C ATOM 871 CZ3 TRP A 55 18.952 -1.795 -24.103 1.00 1.10 C ATOM 872 CH2 TRP A 55 18.091 -0.823 -24.599 1.00 1.41 C ATOM 0 H TRP A 55 22.618 -1.457 -18.399 1.00 0.64 H new ATOM 0 HA TRP A 55 19.939 -0.200 -18.916 1.00 0.44 H new ATOM 0 HB2 TRP A 55 22.213 0.129 -20.196 1.00 0.70 H new ATOM 0 HB3 TRP A 55 21.783 -1.374 -20.988 1.00 0.70 H new ATOM 0 HD1 TRP A 55 20.326 2.200 -20.349 1.00 1.02 H new ATOM 0 HE1 TRP A 55 18.608 2.612 -22.151 1.00 1.16 H new ATOM 0 HE3 TRP A 55 20.423 -2.271 -22.618 1.00 0.80 H new ATOM 0 HZ2 TRP A 55 17.368 1.187 -24.377 1.00 1.42 H new ATOM 0 HZ3 TRP A 55 18.998 -2.767 -24.572 1.00 1.10 H new ATOM 0 HH2 TRP A 55 17.465 -1.039 -25.452 1.00 1.41 H new ATOM 883 N ASP A 56 20.761 -3.293 -19.857 1.00 0.27 N ATOM 884 CA ASP A 56 20.321 -4.697 -20.097 1.00 0.35 C ATOM 885 C ASP A 56 19.260 -5.084 -19.057 1.00 0.28 C ATOM 886 O ASP A 56 18.108 -5.297 -19.366 1.00 0.28 O ATOM 887 CB ASP A 56 21.647 -5.483 -20.007 1.00 0.57 C ATOM 888 CG ASP A 56 22.567 -5.299 -21.193 1.00 0.99 C ATOM 889 OD1 ASP A 56 22.152 -4.819 -22.229 1.00 1.05 O ATOM 890 OD2 ASP A 56 23.720 -5.652 -21.052 1.00 3.10 O ATOM 0 H ASP A 56 21.730 -3.126 -20.127 1.00 0.27 H new ATOM 0 HA ASP A 56 19.829 -4.889 -21.050 1.00 0.35 H new ATOM 0 HB2 ASP A 56 22.175 -5.178 -19.103 1.00 0.57 H new ATOM 0 HB3 ASP A 56 21.419 -6.544 -19.901 1.00 0.57 H new ATOM 895 N ALA A 57 19.736 -5.119 -17.842 1.00 0.28 N ATOM 896 CA ALA A 57 18.958 -5.456 -16.611 1.00 0.35 C ATOM 897 C ALA A 57 17.526 -4.874 -16.593 1.00 0.33 C ATOM 898 O ALA A 57 16.596 -5.478 -16.101 1.00 0.32 O ATOM 899 CB ALA A 57 19.806 -4.945 -15.443 1.00 0.38 C ATOM 0 H ALA A 57 20.714 -4.910 -17.640 1.00 0.28 H new ATOM 0 HA ALA A 57 18.788 -6.531 -16.555 1.00 0.35 H new ATOM 0 HB1 ALA A 57 19.297 -5.158 -14.503 1.00 0.38 H new ATOM 0 HB2 ALA A 57 20.775 -5.444 -15.452 1.00 0.38 H new ATOM 0 HB3 ALA A 57 19.951 -3.869 -15.542 1.00 0.38 H new ATOM 905 N TRP A 58 17.402 -3.693 -17.141 1.00 0.35 N ATOM 906 CA TRP A 58 16.100 -2.950 -17.228 1.00 0.35 C ATOM 907 C TRP A 58 15.466 -3.170 -18.637 1.00 0.37 C ATOM 908 O TRP A 58 14.260 -3.265 -18.800 1.00 0.34 O ATOM 909 CB TRP A 58 16.431 -1.460 -16.924 1.00 0.38 C ATOM 910 CG TRP A 58 15.201 -0.554 -17.123 1.00 0.18 C ATOM 911 CD1 TRP A 58 13.906 -0.971 -17.140 1.00 0.15 C ATOM 912 CD2 TRP A 58 15.229 0.784 -17.314 1.00 0.09 C ATOM 913 NE1 TRP A 58 13.240 0.152 -17.348 1.00 0.12 N ATOM 914 CE2 TRP A 58 13.935 1.266 -17.466 1.00 0.18 C ATOM 915 CE3 TRP A 58 16.304 1.663 -17.357 1.00 0.10 C ATOM 916 CZ2 TRP A 58 13.704 2.625 -17.667 1.00 0.36 C ATOM 917 CZ3 TRP A 58 16.081 3.030 -17.554 1.00 0.25 C ATOM 918 CH2 TRP A 58 14.782 3.510 -17.711 1.00 0.39 C ATOM 0 H TRP A 58 18.187 -3.187 -17.552 1.00 0.35 H new ATOM 0 HA TRP A 58 15.358 -3.304 -16.512 1.00 0.35 H new ATOM 0 HB2 TRP A 58 16.789 -1.368 -15.899 1.00 0.38 H new ATOM 0 HB3 TRP A 58 17.239 -1.126 -17.575 1.00 0.38 H new ATOM 0 HD1 TRP A 58 13.518 -1.971 -17.015 1.00 0.15 H new ATOM 0 HE1 TRP A 58 12.222 0.156 -17.415 1.00 0.12 H new ATOM 0 HE3 TRP A 58 17.311 1.291 -17.238 1.00 0.10 H new ATOM 0 HZ2 TRP A 58 12.695 2.992 -17.788 1.00 0.36 H new ATOM 0 HZ3 TRP A 58 16.916 3.714 -17.584 1.00 0.25 H new ATOM 0 HH2 TRP A 58 14.610 4.565 -17.866 1.00 0.39 H new ATOM 929 N ASN A 59 16.276 -3.284 -19.651 1.00 0.40 N ATOM 930 CA ASN A 59 15.703 -3.499 -21.027 1.00 0.41 C ATOM 931 C ASN A 59 14.960 -4.844 -20.927 1.00 0.42 C ATOM 932 O ASN A 59 13.901 -4.995 -21.504 1.00 0.40 O ATOM 933 CB ASN A 59 16.840 -3.569 -22.083 1.00 0.21 C ATOM 934 CG ASN A 59 16.267 -3.727 -23.508 1.00 0.48 C ATOM 935 OD1 ASN A 59 15.420 -2.999 -24.003 1.00 0.52 O ATOM 936 ND2 ASN A 59 16.737 -4.709 -24.212 1.00 0.82 N ATOM 0 H ASN A 59 17.294 -3.240 -19.599 1.00 0.40 H new ATOM 0 HA ASN A 59 15.045 -2.688 -21.339 1.00 0.41 H new ATOM 0 HB2 ASN A 59 17.446 -2.665 -22.030 1.00 0.21 H new ATOM 0 HB3 ASN A 59 17.499 -4.408 -21.858 1.00 0.21 H new ATOM 0 HD21 ASN A 59 16.399 -4.863 -25.162 1.00 0.82 H new ATOM 0 HD22 ASN A 59 17.445 -5.328 -23.816 1.00 0.82 H new ATOM 943 N GLU A 60 15.535 -5.754 -20.184 1.00 0.43 N ATOM 944 CA GLU A 60 14.946 -7.108 -19.975 1.00 0.36 C ATOM 945 C GLU A 60 13.568 -7.061 -19.307 1.00 0.48 C ATOM 946 O GLU A 60 12.856 -8.042 -19.307 1.00 0.54 O ATOM 947 CB GLU A 60 15.947 -7.955 -19.107 1.00 0.42 C ATOM 948 CG GLU A 60 17.235 -8.286 -19.926 1.00 2.29 C ATOM 949 CD GLU A 60 18.253 -9.152 -19.150 1.00 3.04 C ATOM 950 OE1 GLU A 60 18.945 -8.613 -18.296 1.00 2.55 O ATOM 951 OE2 GLU A 60 18.270 -10.330 -19.474 1.00 4.31 O ATOM 0 H GLU A 60 16.419 -5.607 -19.698 1.00 0.43 H new ATOM 0 HA GLU A 60 14.794 -7.569 -20.951 1.00 0.36 H new ATOM 0 HB2 GLU A 60 16.214 -7.403 -18.206 1.00 0.42 H new ATOM 0 HB3 GLU A 60 15.466 -8.879 -18.784 1.00 0.42 H new ATOM 0 HG2 GLU A 60 16.951 -8.806 -20.841 1.00 2.29 H new ATOM 0 HG3 GLU A 60 17.716 -7.354 -20.225 1.00 2.29 H new ATOM 958 N LEU A 61 13.221 -5.934 -18.748 1.00 0.58 N ATOM 959 CA LEU A 61 11.896 -5.740 -18.058 1.00 0.72 C ATOM 960 C LEU A 61 10.991 -4.780 -18.825 1.00 0.91 C ATOM 961 O LEU A 61 9.805 -4.663 -18.576 1.00 1.40 O ATOM 962 CB LEU A 61 12.089 -5.147 -16.643 1.00 0.56 C ATOM 963 CG LEU A 61 13.139 -5.886 -15.814 1.00 0.55 C ATOM 964 CD1 LEU A 61 13.014 -5.305 -14.404 1.00 0.48 C ATOM 965 CD2 LEU A 61 12.817 -7.372 -15.756 1.00 0.60 C ATOM 0 H LEU A 61 13.817 -5.106 -18.737 1.00 0.58 H new ATOM 0 HA LEU A 61 11.437 -6.727 -18.007 1.00 0.72 H new ATOM 0 HB2 LEU A 61 12.378 -4.100 -16.732 1.00 0.56 H new ATOM 0 HB3 LEU A 61 11.136 -5.171 -16.114 1.00 0.56 H new ATOM 0 HG LEU A 61 14.136 -5.771 -16.238 1.00 0.55 H new ATOM 0 HD11 LEU A 61 13.738 -5.786 -13.747 1.00 0.48 H new ATOM 0 HD12 LEU A 61 13.208 -4.233 -14.434 1.00 0.48 H new ATOM 0 HD13 LEU A 61 12.007 -5.481 -14.026 1.00 0.48 H new ATOM 0 HD21 LEU A 61 13.573 -7.885 -15.162 1.00 0.60 H new ATOM 0 HD22 LEU A 61 11.838 -7.515 -15.298 1.00 0.60 H new ATOM 0 HD23 LEU A 61 12.809 -7.782 -16.766 1.00 0.60 H new ATOM 977 N LYS A 62 11.556 -4.102 -19.770 1.00 0.76 N ATOM 978 CA LYS A 62 10.801 -3.115 -20.610 1.00 0.87 C ATOM 979 C LYS A 62 9.438 -3.743 -21.004 1.00 1.38 C ATOM 980 O LYS A 62 9.457 -4.756 -21.678 1.00 3.38 O ATOM 981 CB LYS A 62 11.770 -2.881 -21.751 1.00 0.87 C ATOM 982 CG LYS A 62 11.177 -2.132 -22.918 1.00 0.97 C ATOM 983 CD LYS A 62 12.306 -2.190 -23.986 1.00 2.05 C ATOM 984 CE LYS A 62 11.885 -1.623 -25.320 1.00 2.40 C ATOM 985 NZ LYS A 62 13.081 -1.795 -26.212 1.00 4.97 N ATOM 0 H LYS A 62 12.543 -4.186 -20.012 1.00 0.76 H new ATOM 0 HA LYS A 62 10.526 -2.169 -20.144 1.00 0.87 H new ATOM 0 HB2 LYS A 62 12.630 -2.326 -21.376 1.00 0.87 H new ATOM 0 HB3 LYS A 62 12.141 -3.844 -22.102 1.00 0.87 H new ATOM 0 HG2 LYS A 62 10.260 -2.602 -23.275 1.00 0.97 H new ATOM 0 HG3 LYS A 62 10.926 -1.105 -22.652 1.00 0.97 H new ATOM 0 HD2 LYS A 62 13.173 -1.639 -23.621 1.00 2.05 H new ATOM 0 HD3 LYS A 62 12.619 -3.225 -24.120 1.00 2.05 H new ATOM 0 HE2 LYS A 62 11.018 -2.151 -25.717 1.00 2.40 H new ATOM 0 HE3 LYS A 62 11.606 -0.573 -25.232 1.00 2.40 H new ATOM 0 HZ1 LYS A 62 12.864 -1.423 -27.159 1.00 4.97 H new ATOM 0 HZ2 LYS A 62 13.889 -1.276 -25.813 1.00 4.97 H new ATOM 0 HZ3 LYS A 62 13.319 -2.805 -26.283 1.00 4.97 H new ATOM 999 N GLY A 63 8.319 -3.185 -20.617 1.00 0.90 N ATOM 1000 CA GLY A 63 7.001 -3.810 -20.997 1.00 0.74 C ATOM 1001 C GLY A 63 6.206 -4.328 -19.788 1.00 0.77 C ATOM 1002 O GLY A 63 4.994 -4.409 -19.865 1.00 1.02 O ATOM 0 H GLY A 63 8.253 -2.333 -20.060 1.00 0.90 H new ATOM 0 HA2 GLY A 63 6.399 -3.076 -21.532 1.00 0.74 H new ATOM 0 HA3 GLY A 63 7.183 -4.636 -21.685 1.00 0.74 H new ATOM 1006 N THR A 64 6.854 -4.679 -18.700 1.00 1.06 N ATOM 1007 CA THR A 64 6.036 -5.191 -17.510 1.00 1.19 C ATOM 1008 C THR A 64 5.259 -4.040 -16.832 1.00 0.89 C ATOM 1009 O THR A 64 5.693 -2.905 -16.841 1.00 0.77 O ATOM 1010 CB THR A 64 6.889 -5.791 -16.355 1.00 1.81 C ATOM 1011 OG1 THR A 64 7.790 -6.764 -16.869 1.00 1.84 O ATOM 1012 CG2 THR A 64 6.028 -6.618 -15.391 1.00 2.25 C ATOM 0 H THR A 64 7.865 -4.643 -18.569 1.00 1.06 H new ATOM 0 HA THR A 64 5.398 -5.955 -17.955 1.00 1.19 H new ATOM 0 HB THR A 64 7.372 -4.941 -15.873 1.00 1.81 H new ATOM 0 HG1 THR A 64 8.324 -7.135 -16.136 1.00 1.84 H new ATOM 0 HG21 THR A 64 6.656 -7.022 -14.597 1.00 2.25 H new ATOM 0 HG22 THR A 64 5.257 -5.983 -14.956 1.00 2.25 H new ATOM 0 HG23 THR A 64 5.559 -7.438 -15.935 1.00 2.25 H new ATOM 1020 N SER A 65 4.136 -4.300 -16.213 1.00 1.16 N ATOM 1021 CA SER A 65 3.392 -3.153 -15.563 1.00 0.98 C ATOM 1022 C SER A 65 4.224 -2.616 -14.368 1.00 0.84 C ATOM 1023 O SER A 65 4.777 -3.393 -13.612 1.00 0.85 O ATOM 1024 CB SER A 65 2.002 -3.675 -15.092 1.00 1.21 C ATOM 1025 OG SER A 65 1.315 -3.986 -16.306 1.00 3.48 O ATOM 0 H SER A 65 3.705 -5.220 -16.124 1.00 1.16 H new ATOM 0 HA SER A 65 3.244 -2.335 -16.268 1.00 0.98 H new ATOM 0 HB2 SER A 65 2.102 -4.553 -14.454 1.00 1.21 H new ATOM 0 HB3 SER A 65 1.468 -2.921 -14.514 1.00 1.21 H new ATOM 0 HG SER A 65 0.420 -4.327 -16.097 1.00 3.48 H new ATOM 1031 N LYS A 66 4.320 -1.315 -14.192 1.00 0.68 N ATOM 1032 CA LYS A 66 5.128 -0.774 -13.040 1.00 0.44 C ATOM 1033 C LYS A 66 4.969 -1.595 -11.749 1.00 0.32 C ATOM 1034 O LYS A 66 5.926 -2.024 -11.144 1.00 0.49 O ATOM 1035 CB LYS A 66 4.706 0.722 -12.860 1.00 0.31 C ATOM 1036 CG LYS A 66 5.223 1.536 -14.097 1.00 0.37 C ATOM 1037 CD LYS A 66 4.759 3.022 -14.051 1.00 0.33 C ATOM 1038 CE LYS A 66 3.239 3.125 -14.239 1.00 2.78 C ATOM 1039 NZ LYS A 66 2.837 4.578 -14.189 1.00 3.99 N ATOM 0 H LYS A 66 3.881 -0.611 -14.786 1.00 0.68 H new ATOM 0 HA LYS A 66 6.192 -0.848 -13.263 1.00 0.44 H new ATOM 0 HB2 LYS A 66 3.622 0.803 -12.779 1.00 0.31 H new ATOM 0 HB3 LYS A 66 5.125 1.126 -11.938 1.00 0.31 H new ATOM 0 HG2 LYS A 66 6.312 1.497 -14.128 1.00 0.37 H new ATOM 0 HG3 LYS A 66 4.861 1.071 -15.014 1.00 0.37 H new ATOM 0 HD2 LYS A 66 5.043 3.467 -13.097 1.00 0.33 H new ATOM 0 HD3 LYS A 66 5.266 3.590 -14.831 1.00 0.33 H new ATOM 0 HE2 LYS A 66 2.947 2.686 -15.193 1.00 2.78 H new ATOM 0 HE3 LYS A 66 2.724 2.564 -13.459 1.00 2.78 H new ATOM 0 HZ1 LYS A 66 1.808 4.658 -14.316 1.00 3.99 H new ATOM 0 HZ2 LYS A 66 3.105 4.981 -13.268 1.00 3.99 H new ATOM 0 HZ3 LYS A 66 3.321 5.098 -14.949 1.00 3.99 H new ATOM 1053 N GLU A 67 3.739 -1.770 -11.399 1.00 0.30 N ATOM 1054 CA GLU A 67 3.246 -2.519 -10.209 1.00 0.29 C ATOM 1055 C GLU A 67 3.971 -3.844 -9.892 1.00 0.31 C ATOM 1056 O GLU A 67 4.452 -4.124 -8.806 1.00 0.35 O ATOM 1057 CB GLU A 67 1.755 -2.726 -10.496 1.00 0.33 C ATOM 1058 CG GLU A 67 0.987 -1.359 -10.682 1.00 0.51 C ATOM 1059 CD GLU A 67 -0.532 -1.587 -10.779 1.00 1.35 C ATOM 1060 OE1 GLU A 67 -1.079 -1.967 -9.754 1.00 0.98 O ATOM 1061 OE2 GLU A 67 -1.035 -1.358 -11.873 1.00 3.36 O ATOM 0 H GLU A 67 2.972 -1.382 -11.949 1.00 0.30 H new ATOM 0 HA GLU A 67 3.446 -1.949 -9.302 1.00 0.29 H new ATOM 0 HB2 GLU A 67 1.641 -3.330 -11.396 1.00 0.33 H new ATOM 0 HB3 GLU A 67 1.304 -3.286 -9.677 1.00 0.33 H new ATOM 0 HG2 GLU A 67 1.206 -0.698 -9.843 1.00 0.51 H new ATOM 0 HG3 GLU A 67 1.341 -0.859 -11.583 1.00 0.51 H new ATOM 1068 N ASP A 68 4.042 -4.643 -10.905 1.00 0.30 N ATOM 1069 CA ASP A 68 4.688 -5.968 -10.831 1.00 0.47 C ATOM 1070 C ASP A 68 6.176 -5.773 -10.524 1.00 0.50 C ATOM 1071 O ASP A 68 6.798 -6.472 -9.742 1.00 0.63 O ATOM 1072 CB ASP A 68 4.389 -6.551 -12.172 1.00 0.79 C ATOM 1073 CG ASP A 68 2.885 -6.763 -12.355 1.00 1.33 C ATOM 1074 OD1 ASP A 68 2.221 -5.755 -12.529 1.00 3.47 O ATOM 1075 OD2 ASP A 68 2.500 -7.917 -12.306 1.00 0.81 O ATOM 0 H ASP A 68 3.660 -4.420 -11.824 1.00 0.30 H new ATOM 0 HA ASP A 68 4.337 -6.635 -10.044 1.00 0.47 H new ATOM 0 HB2 ASP A 68 4.764 -5.889 -12.952 1.00 0.79 H new ATOM 0 HB3 ASP A 68 4.910 -7.502 -12.283 1.00 0.79 H new ATOM 1080 N ALA A 69 6.665 -4.763 -11.172 1.00 0.42 N ATOM 1081 CA ALA A 69 8.104 -4.400 -11.005 1.00 0.43 C ATOM 1082 C ALA A 69 8.234 -3.969 -9.531 1.00 0.38 C ATOM 1083 O ALA A 69 9.161 -4.361 -8.851 1.00 0.47 O ATOM 1084 CB ALA A 69 8.463 -3.232 -11.873 1.00 0.29 C ATOM 0 H ALA A 69 6.137 -4.169 -11.811 1.00 0.42 H new ATOM 0 HA ALA A 69 8.756 -5.231 -11.275 1.00 0.43 H new ATOM 0 HB1 ALA A 69 9.516 -2.986 -11.734 1.00 0.29 H new ATOM 0 HB2 ALA A 69 8.284 -3.487 -12.918 1.00 0.29 H new ATOM 0 HB3 ALA A 69 7.850 -2.373 -11.599 1.00 0.29 H new ATOM 1090 N MET A 70 7.288 -3.175 -9.089 1.00 0.27 N ATOM 1091 CA MET A 70 7.260 -2.663 -7.679 1.00 0.26 C ATOM 1092 C MET A 70 7.261 -3.860 -6.716 1.00 0.25 C ATOM 1093 O MET A 70 8.110 -3.912 -5.856 1.00 0.30 O ATOM 1094 CB MET A 70 5.981 -1.768 -7.508 1.00 0.32 C ATOM 1095 CG MET A 70 6.048 -0.576 -8.487 1.00 0.51 C ATOM 1096 SD MET A 70 4.491 0.208 -8.977 1.00 0.93 S ATOM 1097 CE MET A 70 4.885 1.962 -8.766 1.00 0.54 C ATOM 0 H MET A 70 6.511 -2.851 -9.664 1.00 0.27 H new ATOM 0 HA MET A 70 8.137 -2.056 -7.454 1.00 0.26 H new ATOM 0 HB2 MET A 70 5.084 -2.358 -7.698 1.00 0.32 H new ATOM 0 HB3 MET A 70 5.913 -1.406 -6.482 1.00 0.32 H new ATOM 0 HG2 MET A 70 6.681 0.190 -8.039 1.00 0.51 H new ATOM 0 HG3 MET A 70 6.551 -0.915 -9.393 1.00 0.51 H new ATOM 0 HE1 MET A 70 3.991 2.560 -8.946 1.00 0.54 H new ATOM 0 HE2 MET A 70 5.239 2.136 -7.750 1.00 0.54 H new ATOM 0 HE3 MET A 70 5.662 2.248 -9.475 1.00 0.54 H new ATOM 1107 N LYS A 71 6.354 -4.789 -6.874 1.00 0.26 N ATOM 1108 CA LYS A 71 6.256 -5.982 -6.019 1.00 0.36 C ATOM 1109 C LYS A 71 7.581 -6.780 -5.916 1.00 0.45 C ATOM 1110 O LYS A 71 7.822 -7.389 -4.894 1.00 1.02 O ATOM 1111 CB LYS A 71 5.113 -6.742 -6.644 1.00 0.67 C ATOM 1112 CG LYS A 71 5.057 -8.151 -6.148 1.00 1.64 C ATOM 1113 CD LYS A 71 4.759 -8.243 -4.597 1.00 3.75 C ATOM 1114 CE LYS A 71 5.129 -9.617 -3.992 1.00 6.01 C ATOM 1115 NZ LYS A 71 6.609 -9.644 -3.777 1.00 8.28 N ATOM 0 H LYS A 71 5.645 -4.753 -7.606 1.00 0.26 H new ATOM 0 HA LYS A 71 6.072 -5.748 -4.971 1.00 0.36 H new ATOM 0 HB2 LYS A 71 4.173 -6.238 -6.419 1.00 0.67 H new ATOM 0 HB3 LYS A 71 5.223 -6.741 -7.728 1.00 0.67 H new ATOM 0 HG2 LYS A 71 4.285 -8.693 -6.694 1.00 1.64 H new ATOM 0 HG3 LYS A 71 6.005 -8.644 -6.361 1.00 1.64 H new ATOM 0 HD2 LYS A 71 5.315 -7.462 -4.079 1.00 3.75 H new ATOM 0 HD3 LYS A 71 3.701 -8.049 -4.424 1.00 3.75 H new ATOM 0 HE2 LYS A 71 4.604 -9.772 -3.049 1.00 6.01 H new ATOM 0 HE3 LYS A 71 4.826 -10.422 -4.662 1.00 6.01 H new ATOM 0 HZ1 LYS A 71 6.943 -10.629 -3.784 1.00 8.28 H new ATOM 0 HZ2 LYS A 71 7.080 -9.113 -4.537 1.00 8.28 H new ATOM 0 HZ3 LYS A 71 6.835 -9.209 -2.860 1.00 8.28 H new ATOM 1129 N ALA A 72 8.373 -6.766 -6.957 1.00 0.29 N ATOM 1130 CA ALA A 72 9.669 -7.505 -6.941 1.00 0.25 C ATOM 1131 C ALA A 72 10.784 -6.493 -6.557 1.00 0.20 C ATOM 1132 O ALA A 72 11.831 -6.861 -6.065 1.00 0.25 O ATOM 1133 CB ALA A 72 9.793 -8.101 -8.333 1.00 0.32 C ATOM 0 H ALA A 72 8.174 -6.269 -7.825 1.00 0.29 H new ATOM 0 HA ALA A 72 9.743 -8.313 -6.213 1.00 0.25 H new ATOM 0 HB1 ALA A 72 10.724 -8.664 -8.406 1.00 0.32 H new ATOM 0 HB2 ALA A 72 8.951 -8.767 -8.520 1.00 0.32 H new ATOM 0 HB3 ALA A 72 9.794 -7.300 -9.073 1.00 0.32 H new ATOM 1139 N TYR A 73 10.518 -5.236 -6.799 1.00 0.24 N ATOM 1140 CA TYR A 73 11.495 -4.153 -6.462 1.00 0.30 C ATOM 1141 C TYR A 73 11.559 -4.155 -4.941 1.00 0.33 C ATOM 1142 O TYR A 73 12.589 -4.405 -4.362 1.00 0.32 O ATOM 1143 CB TYR A 73 10.986 -2.763 -6.927 1.00 0.35 C ATOM 1144 CG TYR A 73 11.919 -1.688 -6.361 1.00 0.30 C ATOM 1145 CD1 TYR A 73 13.211 -1.598 -6.816 1.00 2.33 C ATOM 1146 CD2 TYR A 73 11.490 -0.804 -5.384 1.00 2.44 C ATOM 1147 CE1 TYR A 73 14.055 -0.648 -6.305 1.00 2.34 C ATOM 1148 CE2 TYR A 73 12.350 0.148 -4.881 1.00 2.38 C ATOM 1149 CZ TYR A 73 13.637 0.226 -5.343 1.00 0.17 C ATOM 1150 OH TYR A 73 14.509 1.170 -4.851 1.00 0.15 O ATOM 0 H TYR A 73 9.651 -4.907 -7.223 1.00 0.24 H new ATOM 0 HA TYR A 73 12.455 -4.328 -6.947 1.00 0.30 H new ATOM 0 HB2 TYR A 73 10.966 -2.712 -8.016 1.00 0.35 H new ATOM 0 HB3 TYR A 73 9.965 -2.599 -6.581 1.00 0.35 H new ATOM 0 HD1 TYR A 73 13.563 -2.278 -7.578 1.00 2.33 H new ATOM 0 HD2 TYR A 73 10.477 -0.861 -5.015 1.00 2.44 H new ATOM 0 HE1 TYR A 73 15.070 -0.589 -6.670 1.00 2.34 H new ATOM 0 HE2 TYR A 73 12.008 0.834 -4.120 1.00 2.38 H new ATOM 0 HH TYR A 73 14.491 1.963 -5.426 1.00 0.15 H new ATOM 1160 N ILE A 74 10.421 -3.882 -4.364 1.00 0.35 N ATOM 1161 CA ILE A 74 10.255 -3.831 -2.886 1.00 0.36 C ATOM 1162 C ILE A 74 10.765 -5.153 -2.251 1.00 0.35 C ATOM 1163 O ILE A 74 11.362 -5.115 -1.196 1.00 0.57 O ATOM 1164 CB ILE A 74 8.757 -3.593 -2.604 1.00 0.48 C ATOM 1165 CG1 ILE A 74 8.298 -2.227 -3.211 1.00 0.52 C ATOM 1166 CG2 ILE A 74 8.602 -3.480 -1.064 1.00 0.60 C ATOM 1167 CD1 ILE A 74 6.771 -2.244 -3.429 1.00 0.84 C ATOM 0 H ILE A 74 9.564 -3.684 -4.881 1.00 0.35 H new ATOM 0 HA ILE A 74 10.840 -3.025 -2.444 1.00 0.36 H new ATOM 0 HB ILE A 74 8.167 -4.402 -3.034 1.00 0.48 H new ATOM 0 HG12 ILE A 74 8.571 -1.411 -2.542 1.00 0.52 H new ATOM 0 HG13 ILE A 74 8.809 -2.048 -4.157 1.00 0.52 H new ATOM 0 HG21 ILE A 74 7.554 -3.311 -0.815 1.00 0.60 H new ATOM 0 HG22 ILE A 74 8.941 -4.404 -0.595 1.00 0.60 H new ATOM 0 HG23 ILE A 74 9.201 -2.646 -0.698 1.00 0.60 H new ATOM 0 HD11 ILE A 74 6.453 -1.291 -3.852 1.00 0.84 H new ATOM 0 HD12 ILE A 74 6.510 -3.050 -4.115 1.00 0.84 H new ATOM 0 HD13 ILE A 74 6.269 -2.403 -2.475 1.00 0.84 H new ATOM 1179 N ASP A 75 10.544 -6.267 -2.911 1.00 0.34 N ATOM 1180 CA ASP A 75 10.998 -7.593 -2.375 1.00 0.32 C ATOM 1181 C ASP A 75 12.524 -7.525 -2.409 1.00 0.38 C ATOM 1182 O ASP A 75 13.166 -7.464 -1.392 1.00 0.98 O ATOM 1183 CB ASP A 75 10.463 -8.660 -3.306 1.00 0.42 C ATOM 1184 CG ASP A 75 9.154 -9.263 -2.879 1.00 0.54 C ATOM 1185 OD1 ASP A 75 8.363 -8.604 -2.232 1.00 1.78 O ATOM 1186 OD2 ASP A 75 8.966 -10.406 -3.256 1.00 2.54 O ATOM 0 H ASP A 75 10.063 -6.315 -3.809 1.00 0.34 H new ATOM 0 HA ASP A 75 10.651 -7.819 -1.367 1.00 0.32 H new ATOM 0 HB2 ASP A 75 10.343 -8.229 -4.300 1.00 0.42 H new ATOM 0 HB3 ASP A 75 11.204 -9.455 -3.390 1.00 0.42 H new ATOM 1191 N LYS A 76 13.043 -7.623 -3.603 1.00 0.51 N ATOM 1192 CA LYS A 76 14.524 -7.524 -3.777 1.00 0.46 C ATOM 1193 C LYS A 76 15.057 -6.524 -2.734 1.00 0.50 C ATOM 1194 O LYS A 76 15.951 -6.886 -2.006 1.00 0.45 O ATOM 1195 CB LYS A 76 14.871 -7.050 -5.195 1.00 0.49 C ATOM 1196 CG LYS A 76 16.378 -7.388 -5.427 1.00 0.60 C ATOM 1197 CD LYS A 76 16.520 -8.948 -5.380 1.00 0.64 C ATOM 1198 CE LYS A 76 17.780 -9.489 -6.001 1.00 1.80 C ATOM 1199 NZ LYS A 76 17.868 -10.936 -5.618 1.00 1.51 N ATOM 0 H LYS A 76 12.511 -7.766 -4.461 1.00 0.51 H new ATOM 0 HA LYS A 76 14.983 -8.502 -3.634 1.00 0.46 H new ATOM 0 HB2 LYS A 76 14.244 -7.550 -5.934 1.00 0.49 H new ATOM 0 HB3 LYS A 76 14.694 -5.979 -5.299 1.00 0.49 H new ATOM 0 HG2 LYS A 76 16.715 -7.001 -6.389 1.00 0.60 H new ATOM 0 HG3 LYS A 76 16.998 -6.923 -4.661 1.00 0.60 H new ATOM 0 HD2 LYS A 76 16.477 -9.271 -4.340 1.00 0.64 H new ATOM 0 HD3 LYS A 76 15.663 -9.392 -5.887 1.00 0.64 H new ATOM 0 HE2 LYS A 76 17.755 -9.377 -7.085 1.00 1.80 H new ATOM 0 HE3 LYS A 76 18.652 -8.941 -5.644 1.00 1.80 H new ATOM 0 HZ1 LYS A 76 18.803 -11.308 -5.880 1.00 1.51 H new ATOM 0 HZ2 LYS A 76 17.733 -11.032 -4.591 1.00 1.51 H new ATOM 0 HZ3 LYS A 76 17.129 -11.473 -6.116 1.00 1.51 H new ATOM 1213 N VAL A 77 14.514 -5.321 -2.670 1.00 0.60 N ATOM 1214 CA VAL A 77 14.990 -4.316 -1.651 1.00 0.68 C ATOM 1215 C VAL A 77 15.071 -5.117 -0.344 1.00 0.64 C ATOM 1216 O VAL A 77 16.092 -5.177 0.298 1.00 0.70 O ATOM 1217 CB VAL A 77 13.971 -3.143 -1.479 1.00 0.64 C ATOM 1218 CG1 VAL A 77 14.434 -2.298 -0.278 1.00 0.58 C ATOM 1219 CG2 VAL A 77 13.943 -2.188 -2.698 1.00 0.56 C ATOM 0 H VAL A 77 13.764 -4.993 -3.278 1.00 0.60 H new ATOM 0 HA VAL A 77 15.936 -3.863 -1.947 1.00 0.68 H new ATOM 0 HB VAL A 77 12.981 -3.583 -1.355 1.00 0.64 H new ATOM 0 HG11 VAL A 77 13.743 -1.468 -0.129 1.00 0.58 H new ATOM 0 HG12 VAL A 77 14.454 -2.919 0.618 1.00 0.58 H new ATOM 0 HG13 VAL A 77 15.433 -1.908 -0.471 1.00 0.58 H new ATOM 0 HG21 VAL A 77 13.218 -1.394 -2.521 1.00 0.56 H new ATOM 0 HG22 VAL A 77 14.931 -1.751 -2.841 1.00 0.56 H new ATOM 0 HG23 VAL A 77 13.660 -2.746 -3.591 1.00 0.56 H new ATOM 1229 N GLU A 78 13.982 -5.730 0.015 1.00 0.59 N ATOM 1230 CA GLU A 78 13.957 -6.542 1.254 1.00 0.57 C ATOM 1231 C GLU A 78 15.152 -7.569 1.260 1.00 0.55 C ATOM 1232 O GLU A 78 15.899 -7.639 2.218 1.00 0.62 O ATOM 1233 CB GLU A 78 12.568 -7.218 1.300 1.00 0.46 C ATOM 1234 CG GLU A 78 11.825 -6.789 2.583 1.00 0.88 C ATOM 1235 CD GLU A 78 12.590 -7.278 3.787 1.00 3.23 C ATOM 1236 OE1 GLU A 78 13.562 -6.643 4.151 1.00 4.55 O ATOM 1237 OE2 GLU A 78 12.180 -8.289 4.320 1.00 4.29 O ATOM 0 H GLU A 78 13.103 -5.702 -0.502 1.00 0.59 H new ATOM 0 HA GLU A 78 14.095 -5.938 2.151 1.00 0.57 H new ATOM 0 HB2 GLU A 78 11.987 -6.939 0.421 1.00 0.46 H new ATOM 0 HB3 GLU A 78 12.679 -8.302 1.277 1.00 0.46 H new ATOM 0 HG2 GLU A 78 11.728 -5.704 2.615 1.00 0.88 H new ATOM 0 HG3 GLU A 78 10.815 -7.200 2.587 1.00 0.88 H new ATOM 1244 N GLU A 79 15.322 -8.333 0.209 1.00 0.48 N ATOM 1245 CA GLU A 79 16.460 -9.342 0.142 1.00 0.52 C ATOM 1246 C GLU A 79 17.787 -8.603 0.499 1.00 0.51 C ATOM 1247 O GLU A 79 18.596 -8.999 1.317 1.00 0.56 O ATOM 1248 CB GLU A 79 16.657 -9.931 -1.299 1.00 0.58 C ATOM 1249 CG GLU A 79 15.623 -11.024 -1.745 1.00 0.83 C ATOM 1250 CD GLU A 79 15.908 -11.462 -3.194 1.00 3.27 C ATOM 1251 OE1 GLU A 79 16.934 -12.099 -3.364 1.00 4.07 O ATOM 1252 OE2 GLU A 79 15.151 -11.164 -4.098 1.00 4.45 O ATOM 0 H GLU A 79 14.725 -8.311 -0.618 1.00 0.48 H new ATOM 0 HA GLU A 79 16.217 -10.152 0.829 1.00 0.52 H new ATOM 0 HB2 GLU A 79 16.617 -9.109 -2.014 1.00 0.58 H new ATOM 0 HB3 GLU A 79 17.657 -10.359 -1.361 1.00 0.58 H new ATOM 0 HG2 GLU A 79 15.681 -11.885 -1.079 1.00 0.83 H new ATOM 0 HG3 GLU A 79 14.610 -10.630 -1.669 1.00 0.83 H new ATOM 1259 N LEU A 80 17.918 -7.487 -0.166 1.00 0.46 N ATOM 1260 CA LEU A 80 19.119 -6.609 0.001 1.00 0.50 C ATOM 1261 C LEU A 80 19.216 -6.219 1.476 1.00 0.59 C ATOM 1262 O LEU A 80 20.260 -6.272 2.088 1.00 0.68 O ATOM 1263 CB LEU A 80 18.991 -5.338 -0.836 1.00 0.54 C ATOM 1264 CG LEU A 80 18.973 -5.576 -2.339 1.00 0.56 C ATOM 1265 CD1 LEU A 80 19.323 -4.244 -3.006 1.00 0.88 C ATOM 1266 CD2 LEU A 80 20.003 -6.599 -2.804 1.00 1.03 C ATOM 0 H LEU A 80 17.230 -7.137 -0.833 1.00 0.46 H new ATOM 0 HA LEU A 80 20.007 -7.149 -0.328 1.00 0.50 H new ATOM 0 HB2 LEU A 80 18.075 -4.820 -0.551 1.00 0.54 H new ATOM 0 HB3 LEU A 80 19.821 -4.674 -0.595 1.00 0.54 H new ATOM 0 HG LEU A 80 17.987 -5.959 -2.604 1.00 0.56 H new ATOM 0 HD11 LEU A 80 19.322 -4.368 -4.089 1.00 0.88 H new ATOM 0 HD12 LEU A 80 18.585 -3.492 -2.726 1.00 0.88 H new ATOM 0 HD13 LEU A 80 20.312 -3.922 -2.679 1.00 0.88 H new ATOM 0 HD21 LEU A 80 19.934 -6.719 -3.885 1.00 1.03 H new ATOM 0 HD22 LEU A 80 21.003 -6.254 -2.540 1.00 1.03 H new ATOM 0 HD23 LEU A 80 19.809 -7.556 -2.320 1.00 1.03 H new ATOM 1278 N LYS A 81 18.097 -5.817 2.008 1.00 0.63 N ATOM 1279 CA LYS A 81 18.052 -5.421 3.443 1.00 0.78 C ATOM 1280 C LYS A 81 18.537 -6.582 4.318 1.00 0.74 C ATOM 1281 O LYS A 81 19.410 -6.388 5.140 1.00 0.84 O ATOM 1282 CB LYS A 81 16.583 -5.004 3.766 1.00 1.07 C ATOM 1283 CG LYS A 81 16.344 -4.780 5.287 1.00 1.21 C ATOM 1284 CD LYS A 81 15.096 -3.836 5.436 1.00 2.08 C ATOM 1285 CE LYS A 81 15.005 -3.070 6.773 1.00 2.07 C ATOM 1286 NZ LYS A 81 15.928 -1.894 6.746 1.00 4.06 N ATOM 0 H LYS A 81 17.209 -5.745 1.510 1.00 0.63 H new ATOM 0 HA LYS A 81 18.713 -4.580 3.650 1.00 0.78 H new ATOM 0 HB2 LYS A 81 16.342 -4.088 3.226 1.00 1.07 H new ATOM 0 HB3 LYS A 81 15.903 -5.775 3.405 1.00 1.07 H new ATOM 0 HG2 LYS A 81 16.168 -5.730 5.791 1.00 1.21 H new ATOM 0 HG3 LYS A 81 17.222 -4.331 5.751 1.00 1.21 H new ATOM 0 HD2 LYS A 81 15.109 -3.112 4.621 1.00 2.08 H new ATOM 0 HD3 LYS A 81 14.192 -4.434 5.316 1.00 2.08 H new ATOM 0 HE2 LYS A 81 13.981 -2.737 6.943 1.00 2.07 H new ATOM 0 HE3 LYS A 81 15.267 -3.730 7.600 1.00 2.07 H new ATOM 0 HZ1 LYS A 81 16.686 -2.031 7.445 1.00 4.06 H new ATOM 0 HZ2 LYS A 81 16.344 -1.801 5.798 1.00 4.06 H new ATOM 0 HZ3 LYS A 81 15.397 -1.030 6.977 1.00 4.06 H new ATOM 1300 N LYS A 82 17.967 -7.731 4.103 1.00 0.70 N ATOM 1301 CA LYS A 82 18.339 -8.942 4.880 1.00 0.72 C ATOM 1302 C LYS A 82 19.786 -9.424 4.649 1.00 0.55 C ATOM 1303 O LYS A 82 20.412 -10.017 5.504 1.00 0.52 O ATOM 1304 CB LYS A 82 17.299 -10.009 4.520 1.00 0.98 C ATOM 1305 CG LYS A 82 15.886 -9.474 4.960 1.00 1.41 C ATOM 1306 CD LYS A 82 15.836 -9.249 6.511 1.00 3.85 C ATOM 1307 CE LYS A 82 14.428 -8.952 7.053 1.00 4.53 C ATOM 1308 NZ LYS A 82 13.848 -7.741 6.393 1.00 6.40 N ATOM 0 H LYS A 82 17.241 -7.885 3.404 1.00 0.70 H new ATOM 0 HA LYS A 82 18.328 -8.714 5.946 1.00 0.72 H new ATOM 0 HB2 LYS A 82 17.314 -10.211 3.449 1.00 0.98 H new ATOM 0 HB3 LYS A 82 17.526 -10.948 5.024 1.00 0.98 H new ATOM 0 HG2 LYS A 82 15.670 -8.538 4.445 1.00 1.41 H new ATOM 0 HG3 LYS A 82 15.115 -10.186 4.666 1.00 1.41 H new ATOM 0 HD2 LYS A 82 16.227 -10.136 7.010 1.00 3.85 H new ATOM 0 HD3 LYS A 82 16.496 -8.421 6.770 1.00 3.85 H new ATOM 0 HE2 LYS A 82 13.779 -9.811 6.882 1.00 4.53 H new ATOM 0 HE3 LYS A 82 14.474 -8.797 8.131 1.00 4.53 H new ATOM 0 HZ1 LYS A 82 13.847 -6.947 7.064 1.00 6.40 H new ATOM 0 HZ2 LYS A 82 14.421 -7.491 5.562 1.00 6.40 H new ATOM 0 HZ3 LYS A 82 12.873 -7.943 6.093 1.00 6.40 H new ATOM 1322 N LYS A 83 20.270 -9.152 3.483 1.00 0.55 N ATOM 1323 CA LYS A 83 21.660 -9.531 3.077 1.00 0.33 C ATOM 1324 C LYS A 83 22.757 -8.536 3.487 1.00 0.54 C ATOM 1325 O LYS A 83 23.800 -8.930 3.958 1.00 0.59 O ATOM 1326 CB LYS A 83 21.714 -9.664 1.550 1.00 0.25 C ATOM 1327 CG LYS A 83 20.891 -10.847 1.066 1.00 0.32 C ATOM 1328 CD LYS A 83 20.578 -10.630 -0.440 1.00 0.57 C ATOM 1329 CE LYS A 83 20.011 -11.905 -1.002 1.00 0.76 C ATOM 1330 NZ LYS A 83 19.357 -11.607 -2.311 1.00 1.88 N ATOM 0 H LYS A 83 19.746 -8.663 2.757 1.00 0.55 H new ATOM 0 HA LYS A 83 21.866 -10.464 3.602 1.00 0.33 H new ATOM 0 HB2 LYS A 83 21.342 -8.748 1.090 1.00 0.25 H new ATOM 0 HB3 LYS A 83 22.749 -9.784 1.230 1.00 0.25 H new ATOM 0 HG2 LYS A 83 21.440 -11.778 1.211 1.00 0.32 H new ATOM 0 HG3 LYS A 83 19.968 -10.929 1.639 1.00 0.32 H new ATOM 0 HD2 LYS A 83 19.867 -9.813 -0.565 1.00 0.57 H new ATOM 0 HD3 LYS A 83 21.484 -10.350 -0.978 1.00 0.57 H new ATOM 0 HE2 LYS A 83 20.802 -12.643 -1.135 1.00 0.76 H new ATOM 0 HE3 LYS A 83 19.288 -12.334 -0.308 1.00 0.76 H new ATOM 0 HZ1 LYS A 83 18.350 -11.860 -2.261 1.00 1.88 H new ATOM 0 HZ2 LYS A 83 19.449 -10.593 -2.522 1.00 1.88 H new ATOM 0 HZ3 LYS A 83 19.816 -12.160 -3.062 1.00 1.88 H new ATOM 1344 N TYR A 84 22.484 -7.284 3.283 1.00 0.70 N ATOM 1345 CA TYR A 84 23.430 -6.179 3.594 1.00 1.04 C ATOM 1346 C TYR A 84 23.377 -5.389 4.909 1.00 1.64 C ATOM 1347 O TYR A 84 24.427 -4.923 5.305 1.00 2.99 O ATOM 1348 CB TYR A 84 23.293 -5.261 2.337 1.00 1.22 C ATOM 1349 CG TYR A 84 23.769 -6.056 1.101 1.00 1.05 C ATOM 1350 CD1 TYR A 84 25.093 -6.423 0.954 1.00 0.99 C ATOM 1351 CD2 TYR A 84 22.868 -6.427 0.125 1.00 1.01 C ATOM 1352 CE1 TYR A 84 25.495 -7.148 -0.149 1.00 0.94 C ATOM 1353 CE2 TYR A 84 23.272 -7.156 -0.981 1.00 0.99 C ATOM 1354 CZ TYR A 84 24.590 -7.514 -1.114 1.00 0.96 C ATOM 1355 OH TYR A 84 25.017 -8.225 -2.210 1.00 0.96 O ATOM 0 H TYR A 84 21.597 -6.964 2.893 1.00 0.70 H new ATOM 0 HA TYR A 84 24.398 -6.638 3.794 1.00 1.04 H new ATOM 0 HB2 TYR A 84 22.258 -4.944 2.209 1.00 1.22 H new ATOM 0 HB3 TYR A 84 23.890 -4.357 2.460 1.00 1.22 H new ATOM 0 HD1 TYR A 84 25.816 -6.141 1.705 1.00 0.99 H new ATOM 0 HD2 TYR A 84 21.830 -6.144 0.225 1.00 1.01 H new ATOM 0 HE1 TYR A 84 26.532 -7.430 -0.254 1.00 0.94 H new ATOM 0 HE2 TYR A 84 22.553 -7.441 -1.735 1.00 0.99 H new ATOM 0 HH TYR A 84 24.255 -8.407 -2.799 1.00 0.96 H new ATOM 1365 N GLY A 85 22.274 -5.208 5.588 1.00 0.80 N ATOM 1366 CA GLY A 85 22.390 -4.400 6.858 1.00 1.74 C ATOM 1367 C GLY A 85 21.933 -2.999 6.506 1.00 1.87 C ATOM 1368 O GLY A 85 22.616 -2.245 5.838 1.00 2.95 O ATOM 0 H GLY A 85 21.346 -5.557 5.346 1.00 0.80 H new ATOM 0 HA2 GLY A 85 21.771 -4.825 7.648 1.00 1.74 H new ATOM 0 HA3 GLY A 85 23.416 -4.395 7.225 1.00 1.74 H new ATOM 1372 N ILE A 86 20.772 -2.697 6.998 1.00 1.16 N ATOM 1373 CA ILE A 86 20.084 -1.388 6.790 1.00 1.20 C ATOM 1374 C ILE A 86 18.991 -1.194 7.901 1.00 1.27 C ATOM 1375 O ILE A 86 18.302 -2.163 8.198 1.00 1.24 O ATOM 1376 CB ILE A 86 19.487 -1.440 5.371 1.00 1.03 C ATOM 1377 CG1 ILE A 86 18.569 -0.199 5.123 1.00 1.60 C ATOM 1378 CG2 ILE A 86 18.757 -2.753 5.186 1.00 0.97 C ATOM 1379 CD1 ILE A 86 17.561 -0.416 3.976 1.00 2.09 C ATOM 1380 OXT ILE A 86 18.874 -0.086 8.400 1.00 1.35 O ATOM 0 H ILE A 86 20.235 -3.345 7.574 1.00 1.16 H new ATOM 0 HA ILE A 86 20.759 -0.536 6.871 1.00 1.20 H new ATOM 0 HB ILE A 86 20.281 -1.394 4.625 1.00 1.03 H new ATOM 0 HG12 ILE A 86 18.025 0.033 6.039 1.00 1.60 H new ATOM 0 HG13 ILE A 86 19.191 0.666 4.894 1.00 1.60 H new ATOM 0 HG21 ILE A 86 18.332 -2.795 4.183 1.00 0.97 H new ATOM 0 HG22 ILE A 86 19.455 -3.579 5.319 1.00 0.97 H new ATOM 0 HG23 ILE A 86 17.957 -2.831 5.922 1.00 0.97 H new ATOM 0 HD11 ILE A 86 16.952 0.480 3.852 1.00 2.09 H new ATOM 0 HD12 ILE A 86 18.101 -0.619 3.051 1.00 2.09 H new ATOM 0 HD13 ILE A 86 16.917 -1.262 4.213 1.00 2.09 H new