USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 693 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 29 SER OG : rot -52:sc= -1.38! USER MOD Set 1.2: A 30 HIS : no HD1:sc= -0.568 K(o=-1.9,f=-2.7) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.0999 K(o=-0.74,f=-1.7) USER MOD Set 2.2: A 70 MET CE :methyl 145:sc= -0.642 (180deg=-0.8) USER MOD Single : A 1 SER N :NH3+ -151:sc= 0.527 (180deg=0.193) USER MOD Single : A 1 SER OG : rot 180:sc= 0.326 USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -1.8! (180deg=-4.03) USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0436) USER MOD Single : A 14 HIS : no HE2:sc= 0.954 K(o=0.95,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.469 (180deg=-0.597) USER MOD Single : A 17 THR OG1 : rot 105:sc= 1.05 USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= 2.36 (180deg=-0.221) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -114:sc= 1.84 USER MOD Single : A 31 TYR OH : rot -29:sc= 0.602 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.195) USER MOD Single : A 33 GLN : amide:sc= -3.56! C(o=-3.6!,f=-16!) USER MOD Single : A 35 THR OG1 : rot -94:sc= 0.295! USER MOD Single : A 40 ASN : amide:sc= -0.22 K(o=-0.22,f=-12!) USER MOD Single : A 41 THR OG1 : rot 138:sc= 0.396 USER MOD Single : A 46 MET CE :methyl -109:sc= -0.49 (180deg=-1.48!) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -2.11! (180deg=-2.36!) USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= -1.82! (180deg=-6.51!) USER MOD Single : A 54 LYS NZ :NH3+ -106:sc= 2.44 (180deg=-0.545) USER MOD Single : A 59 ASN : amide:sc= -3.97! C(o=-4!,f=-4.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= 2.02 (180deg=-0.685) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= -5.72! (180deg=-6.12!) USER MOD Single : A 73 TYR OH : rot 98:sc= -0.76 USER MOD Single : A 76 LYS NZ :NH3+ -116:sc= 1.84 (180deg=0.19) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -0.772 (180deg=-1.16) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= 1.17 (180deg=-1.25!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 165:sc= 0.402 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.741 1.324 -6.931 1.00 2.08 N ATOM 2 CA SER A 1 6.196 2.320 -7.915 1.00 2.31 C ATOM 3 C SER A 1 6.508 3.750 -7.451 1.00 1.91 C ATOM 4 O SER A 1 7.212 4.480 -8.110 1.00 2.29 O ATOM 5 CB SER A 1 4.666 2.132 -7.977 1.00 2.34 C ATOM 6 OG SER A 1 4.362 2.014 -6.586 1.00 1.15 O ATOM 0 H1 SER A 1 6.977 0.440 -7.426 1.00 2.08 H new ATOM 0 H2 SER A 1 7.597 1.710 -6.484 1.00 2.08 H new ATOM 0 H3 SER A 1 6.026 1.131 -6.200 1.00 2.08 H new ATOM 0 HA SER A 1 6.650 2.164 -8.893 1.00 2.31 H new ATOM 0 HB2 SER A 1 4.163 2.980 -8.441 1.00 2.34 H new ATOM 0 HB3 SER A 1 4.380 1.244 -8.541 1.00 2.34 H new ATOM 0 HG SER A 1 3.397 1.888 -6.472 1.00 1.15 H new ATOM 14 N GLN A 2 5.968 4.097 -6.315 1.00 1.30 N ATOM 15 CA GLN A 2 6.166 5.455 -5.705 1.00 0.81 C ATOM 16 C GLN A 2 6.967 5.271 -4.396 1.00 0.69 C ATOM 17 O GLN A 2 6.976 4.182 -3.862 1.00 0.95 O ATOM 18 CB GLN A 2 4.748 5.950 -5.323 1.00 0.68 C ATOM 19 CG GLN A 2 4.767 7.481 -5.024 1.00 0.61 C ATOM 20 CD GLN A 2 4.576 8.289 -6.309 1.00 1.25 C ATOM 21 OE1 GLN A 2 4.859 7.865 -7.411 1.00 1.92 O ATOM 22 NE2 GLN A 2 4.094 9.484 -6.204 1.00 1.23 N ATOM 0 H GLN A 2 5.376 3.477 -5.762 1.00 1.30 H new ATOM 0 HA GLN A 2 6.682 6.142 -6.376 1.00 0.81 H new ATOM 0 HB2 GLN A 2 4.052 5.741 -6.135 1.00 0.68 H new ATOM 0 HB3 GLN A 2 4.390 5.407 -4.448 1.00 0.68 H new ATOM 0 HG2 GLN A 2 3.977 7.727 -4.314 1.00 0.61 H new ATOM 0 HG3 GLN A 2 5.713 7.753 -4.556 1.00 0.61 H new ATOM 0 HE21 GLN A 2 3.851 9.857 -5.286 1.00 1.23 H new ATOM 0 HE22 GLN A 2 3.957 10.054 -7.039 1.00 1.23 H new ATOM 31 N ALA A 3 7.613 6.296 -3.904 1.00 0.54 N ATOM 32 CA ALA A 3 8.391 6.134 -2.632 1.00 0.38 C ATOM 33 C ALA A 3 7.502 6.680 -1.505 1.00 0.44 C ATOM 34 O ALA A 3 6.289 6.617 -1.573 1.00 0.79 O ATOM 35 CB ALA A 3 9.666 6.998 -2.789 1.00 0.75 C ATOM 0 H ALA A 3 7.638 7.228 -4.318 1.00 0.54 H new ATOM 0 HA ALA A 3 8.668 5.102 -2.414 1.00 0.38 H new ATOM 0 HB1 ALA A 3 10.273 6.918 -1.887 1.00 0.75 H new ATOM 0 HB2 ALA A 3 10.240 6.646 -3.646 1.00 0.75 H new ATOM 0 HB3 ALA A 3 9.383 8.039 -2.944 1.00 0.75 H new ATOM 41 N GLU A 4 8.135 7.216 -0.497 1.00 0.56 N ATOM 42 CA GLU A 4 7.388 7.799 0.653 1.00 0.96 C ATOM 43 C GLU A 4 7.383 9.284 0.305 1.00 0.97 C ATOM 44 O GLU A 4 7.002 10.131 1.058 1.00 1.17 O ATOM 45 CB GLU A 4 8.140 7.631 1.985 1.00 1.15 C ATOM 46 CG GLU A 4 9.487 8.457 2.089 1.00 1.52 C ATOM 47 CD GLU A 4 9.460 9.394 3.319 1.00 3.32 C ATOM 48 OE1 GLU A 4 9.164 8.922 4.402 1.00 3.96 O ATOM 49 OE2 GLU A 4 9.728 10.580 3.198 1.00 4.25 O ATOM 0 H GLU A 4 9.150 7.275 -0.421 1.00 0.56 H new ATOM 0 HA GLU A 4 6.412 7.331 0.786 1.00 0.96 H new ATOM 0 HB2 GLU A 4 7.481 7.931 2.800 1.00 1.15 H new ATOM 0 HB3 GLU A 4 8.365 6.574 2.130 1.00 1.15 H new ATOM 0 HG2 GLU A 4 10.333 7.774 2.164 1.00 1.52 H new ATOM 0 HG3 GLU A 4 9.631 9.044 1.182 1.00 1.52 H new ATOM 56 N PHE A 5 7.846 9.569 -0.867 1.00 0.72 N ATOM 57 CA PHE A 5 7.927 10.920 -1.405 1.00 0.68 C ATOM 58 C PHE A 5 6.842 11.886 -0.979 1.00 0.63 C ATOM 59 O PHE A 5 7.125 12.933 -0.439 1.00 0.57 O ATOM 60 CB PHE A 5 8.026 10.647 -2.899 1.00 0.49 C ATOM 61 CG PHE A 5 7.929 11.939 -3.653 1.00 0.32 C ATOM 62 CD1 PHE A 5 6.689 12.402 -3.989 1.00 1.72 C ATOM 63 CD2 PHE A 5 9.039 12.658 -3.993 1.00 1.21 C ATOM 64 CE1 PHE A 5 6.542 13.561 -4.662 1.00 1.62 C ATOM 65 CE2 PHE A 5 8.911 13.831 -4.659 1.00 1.35 C ATOM 66 CZ PHE A 5 7.652 14.283 -5.001 1.00 0.10 C ATOM 0 H PHE A 5 8.194 8.858 -1.510 1.00 0.72 H new ATOM 0 HA PHE A 5 8.773 11.481 -1.009 1.00 0.68 H new ATOM 0 HB2 PHE A 5 8.970 10.151 -3.127 1.00 0.49 H new ATOM 0 HB3 PHE A 5 7.228 9.972 -3.209 1.00 0.49 H new ATOM 0 HD1 PHE A 5 5.814 11.832 -3.712 1.00 1.72 H new ATOM 0 HD2 PHE A 5 10.020 12.291 -3.731 1.00 1.21 H new ATOM 0 HE1 PHE A 5 5.558 13.915 -4.930 1.00 1.62 H new ATOM 0 HE2 PHE A 5 9.786 14.407 -4.920 1.00 1.35 H new ATOM 0 HZ PHE A 5 7.544 15.213 -5.540 1.00 0.10 H new ATOM 76 N ASP A 6 5.628 11.510 -1.220 1.00 0.66 N ATOM 77 CA ASP A 6 4.519 12.403 -0.822 1.00 0.68 C ATOM 78 C ASP A 6 4.658 12.638 0.691 1.00 0.68 C ATOM 79 O ASP A 6 4.385 13.677 1.252 1.00 0.65 O ATOM 80 CB ASP A 6 3.333 11.808 -1.425 1.00 0.64 C ATOM 81 CG ASP A 6 3.428 12.087 -2.932 1.00 0.47 C ATOM 82 OD1 ASP A 6 3.358 13.271 -3.252 1.00 0.80 O ATOM 83 OD2 ASP A 6 3.583 11.118 -3.666 1.00 1.14 O ATOM 0 H ASP A 6 5.356 10.635 -1.669 1.00 0.66 H new ATOM 0 HA ASP A 6 4.487 13.431 -1.182 1.00 0.68 H new ATOM 0 HB2 ASP A 6 3.294 10.736 -1.230 1.00 0.64 H new ATOM 0 HB3 ASP A 6 2.425 12.242 -1.006 1.00 0.64 H new ATOM 88 N LYS A 7 5.138 11.607 1.306 1.00 0.72 N ATOM 89 CA LYS A 7 5.361 11.667 2.767 1.00 0.70 C ATOM 90 C LYS A 7 6.506 12.657 2.970 1.00 0.56 C ATOM 91 O LYS A 7 6.450 13.504 3.839 1.00 0.48 O ATOM 92 CB LYS A 7 5.645 10.290 3.344 1.00 0.87 C ATOM 93 CG LYS A 7 4.940 10.165 4.711 1.00 1.30 C ATOM 94 CD LYS A 7 5.640 10.986 5.836 1.00 1.56 C ATOM 95 CE LYS A 7 7.047 10.451 6.115 1.00 1.29 C ATOM 96 NZ LYS A 7 8.038 11.269 5.365 1.00 2.53 N ATOM 0 H LYS A 7 5.387 10.723 0.861 1.00 0.72 H new ATOM 0 HA LYS A 7 4.474 12.004 3.303 1.00 0.70 H new ATOM 0 HB2 LYS A 7 5.289 9.516 2.664 1.00 0.87 H new ATOM 0 HB3 LYS A 7 6.719 10.144 3.459 1.00 0.87 H new ATOM 0 HG2 LYS A 7 3.908 10.501 4.613 1.00 1.30 H new ATOM 0 HG3 LYS A 7 4.908 9.115 5.002 1.00 1.30 H new ATOM 0 HD2 LYS A 7 5.698 12.034 5.543 1.00 1.56 H new ATOM 0 HD3 LYS A 7 5.044 10.942 6.747 1.00 1.56 H new ATOM 0 HE2 LYS A 7 7.259 10.490 7.183 1.00 1.29 H new ATOM 0 HE3 LYS A 7 7.118 9.406 5.814 1.00 1.29 H new ATOM 0 HZ1 LYS A 7 8.910 11.357 5.925 1.00 2.53 H new ATOM 0 HZ2 LYS A 7 8.254 10.808 4.458 1.00 2.53 H new ATOM 0 HZ3 LYS A 7 7.644 12.215 5.187 1.00 2.53 H new ATOM 110 N ALA A 8 7.554 12.532 2.201 1.00 0.53 N ATOM 111 CA ALA A 8 8.688 13.499 2.357 1.00 0.47 C ATOM 112 C ALA A 8 8.090 14.922 2.266 1.00 0.43 C ATOM 113 O ALA A 8 8.335 15.774 3.095 1.00 0.42 O ATOM 114 CB ALA A 8 9.691 13.229 1.272 1.00 0.50 C ATOM 0 H ALA A 8 7.677 11.818 1.483 1.00 0.53 H new ATOM 0 HA ALA A 8 9.202 13.396 3.313 1.00 0.47 H new ATOM 0 HB1 ALA A 8 10.526 13.923 1.367 1.00 0.50 H new ATOM 0 HB2 ALA A 8 10.057 12.206 1.361 1.00 0.50 H new ATOM 0 HB3 ALA A 8 9.219 13.361 0.299 1.00 0.50 H new ATOM 120 N ALA A 9 7.308 15.107 1.249 1.00 0.48 N ATOM 121 CA ALA A 9 6.612 16.400 0.975 1.00 0.46 C ATOM 122 C ALA A 9 5.876 16.825 2.271 1.00 0.39 C ATOM 123 O ALA A 9 6.110 17.881 2.833 1.00 0.30 O ATOM 124 CB ALA A 9 5.643 16.121 -0.204 1.00 0.53 C ATOM 0 H ALA A 9 7.110 14.382 0.560 1.00 0.48 H new ATOM 0 HA ALA A 9 7.282 17.215 0.701 1.00 0.46 H new ATOM 0 HB1 ALA A 9 5.101 17.033 -0.453 1.00 0.53 H new ATOM 0 HB2 ALA A 9 6.212 15.788 -1.072 1.00 0.53 H new ATOM 0 HB3 ALA A 9 4.934 15.345 0.084 1.00 0.53 H new ATOM 130 N GLU A 10 5.016 15.953 2.705 1.00 0.48 N ATOM 131 CA GLU A 10 4.199 16.157 3.938 1.00 0.47 C ATOM 132 C GLU A 10 5.056 16.683 5.087 1.00 0.49 C ATOM 133 O GLU A 10 4.750 17.664 5.734 1.00 0.58 O ATOM 134 CB GLU A 10 3.677 14.758 4.330 1.00 0.44 C ATOM 135 CG GLU A 10 2.173 14.584 4.028 1.00 0.86 C ATOM 136 CD GLU A 10 1.778 13.129 4.331 1.00 0.84 C ATOM 137 OE1 GLU A 10 2.269 12.225 3.668 1.00 1.59 O ATOM 138 OE2 GLU A 10 0.982 13.009 5.242 1.00 1.11 O ATOM 0 H GLU A 10 4.836 15.065 2.236 1.00 0.48 H new ATOM 0 HA GLU A 10 3.403 16.878 3.751 1.00 0.47 H new ATOM 0 HB2 GLU A 10 4.243 13.998 3.791 1.00 0.44 H new ATOM 0 HB3 GLU A 10 3.853 14.593 5.393 1.00 0.44 H new ATOM 0 HG2 GLU A 10 1.583 15.271 4.635 1.00 0.86 H new ATOM 0 HG3 GLU A 10 1.966 14.823 2.985 1.00 0.86 H new ATOM 145 N GLU A 11 6.142 15.985 5.274 1.00 0.43 N ATOM 146 CA GLU A 11 7.135 16.276 6.337 1.00 0.46 C ATOM 147 C GLU A 11 7.871 17.561 6.217 1.00 0.45 C ATOM 148 O GLU A 11 7.844 18.423 7.070 1.00 0.47 O ATOM 149 CB GLU A 11 8.150 15.168 6.309 1.00 0.56 C ATOM 150 CG GLU A 11 7.868 14.044 7.342 1.00 0.60 C ATOM 151 CD GLU A 11 9.155 13.296 7.631 1.00 0.95 C ATOM 152 OE1 GLU A 11 10.194 13.925 7.674 1.00 2.21 O ATOM 153 OE2 GLU A 11 9.079 12.098 7.810 1.00 0.31 O ATOM 0 H GLU A 11 6.389 15.181 4.697 1.00 0.43 H new ATOM 0 HA GLU A 11 6.566 16.354 7.263 1.00 0.46 H new ATOM 0 HB2 GLU A 11 8.175 14.734 5.309 1.00 0.56 H new ATOM 0 HB3 GLU A 11 9.138 15.586 6.500 1.00 0.56 H new ATOM 0 HG2 GLU A 11 7.468 14.471 8.261 1.00 0.60 H new ATOM 0 HG3 GLU A 11 7.114 13.358 6.954 1.00 0.60 H new ATOM 160 N VAL A 12 8.538 17.664 5.119 1.00 0.43 N ATOM 161 CA VAL A 12 9.328 18.846 4.817 1.00 0.44 C ATOM 162 C VAL A 12 8.495 20.102 4.949 1.00 0.51 C ATOM 163 O VAL A 12 8.971 21.154 5.310 1.00 0.78 O ATOM 164 CB VAL A 12 9.881 18.558 3.432 1.00 0.39 C ATOM 165 CG1 VAL A 12 9.084 19.168 2.297 1.00 0.38 C ATOM 166 CG2 VAL A 12 11.287 19.012 3.383 1.00 0.50 C ATOM 0 H VAL A 12 8.562 16.944 4.397 1.00 0.43 H new ATOM 0 HA VAL A 12 10.147 19.040 5.509 1.00 0.44 H new ATOM 0 HB VAL A 12 9.808 17.482 3.277 1.00 0.39 H new ATOM 0 HG11 VAL A 12 9.551 18.912 1.346 1.00 0.38 H new ATOM 0 HG12 VAL A 12 8.066 18.780 2.318 1.00 0.38 H new ATOM 0 HG13 VAL A 12 9.062 20.252 2.410 1.00 0.38 H new ATOM 0 HG21 VAL A 12 11.700 18.812 2.394 1.00 0.50 H new ATOM 0 HG22 VAL A 12 11.331 20.082 3.585 1.00 0.50 H new ATOM 0 HG23 VAL A 12 11.869 18.477 4.134 1.00 0.50 H new ATOM 176 N LYS A 13 7.253 19.955 4.620 1.00 0.31 N ATOM 177 CA LYS A 13 6.311 21.095 4.715 1.00 0.36 C ATOM 178 C LYS A 13 5.952 21.549 6.150 1.00 0.49 C ATOM 179 O LYS A 13 5.225 22.508 6.302 1.00 0.47 O ATOM 180 CB LYS A 13 5.065 20.700 3.920 1.00 0.32 C ATOM 181 CG LYS A 13 5.392 20.859 2.431 1.00 0.89 C ATOM 182 CD LYS A 13 5.363 22.396 2.111 1.00 2.47 C ATOM 183 CE LYS A 13 5.772 22.683 0.684 1.00 3.64 C ATOM 184 NZ LYS A 13 7.258 22.509 0.576 1.00 4.77 N ATOM 0 H LYS A 13 6.842 19.084 4.285 1.00 0.31 H new ATOM 0 HA LYS A 13 6.804 21.976 4.303 1.00 0.36 H new ATOM 0 HB2 LYS A 13 4.780 19.671 4.141 1.00 0.32 H new ATOM 0 HB3 LYS A 13 4.220 21.331 4.195 1.00 0.32 H new ATOM 0 HG2 LYS A 13 6.371 20.437 2.205 1.00 0.89 H new ATOM 0 HG3 LYS A 13 4.666 20.325 1.818 1.00 0.89 H new ATOM 0 HD2 LYS A 13 4.360 22.784 2.286 1.00 2.47 H new ATOM 0 HD3 LYS A 13 6.032 22.921 2.793 1.00 2.47 H new ATOM 0 HE2 LYS A 13 5.260 22.007 -0.001 1.00 3.64 H new ATOM 0 HE3 LYS A 13 5.487 23.697 0.404 1.00 3.64 H new ATOM 0 HZ1 LYS A 13 7.632 23.156 -0.148 1.00 4.77 H new ATOM 0 HZ2 LYS A 13 7.700 22.723 1.493 1.00 4.77 H new ATOM 0 HZ3 LYS A 13 7.474 21.528 0.308 1.00 4.77 H new ATOM 198 N HIS A 14 6.466 20.866 7.141 1.00 0.64 N ATOM 199 CA HIS A 14 6.209 21.196 8.590 1.00 0.79 C ATOM 200 C HIS A 14 7.425 21.647 9.414 1.00 0.89 C ATOM 201 O HIS A 14 7.275 22.401 10.356 1.00 0.96 O ATOM 202 CB HIS A 14 5.795 19.902 9.343 1.00 0.85 C ATOM 203 CG HIS A 14 4.382 19.455 9.008 1.00 0.70 C ATOM 204 ND1 HIS A 14 4.079 18.650 8.053 1.00 0.87 N ATOM 205 CD2 HIS A 14 3.164 19.764 9.587 1.00 0.91 C ATOM 206 CE1 HIS A 14 2.796 18.459 8.019 1.00 1.33 C ATOM 207 NE2 HIS A 14 2.188 19.135 8.960 1.00 1.36 N ATOM 0 H HIS A 14 7.078 20.061 7.006 1.00 0.64 H new ATOM 0 HA HIS A 14 5.474 21.998 8.526 1.00 0.79 H new ATOM 0 HB2 HIS A 14 6.493 19.103 9.094 1.00 0.85 H new ATOM 0 HB3 HIS A 14 5.873 20.071 10.417 1.00 0.85 H new ATOM 0 HD1 HIS A 14 4.750 18.223 7.414 1.00 0.87 H new ATOM 0 HD2 HIS A 14 3.031 20.425 10.431 1.00 0.91 H new ATOM 0 HE1 HIS A 14 2.294 17.823 7.305 1.00 1.33 H new ATOM 215 N LEU A 15 8.583 21.166 9.037 1.00 0.92 N ATOM 216 CA LEU A 15 9.849 21.506 9.760 1.00 1.03 C ATOM 217 C LEU A 15 9.909 22.662 10.783 1.00 1.09 C ATOM 218 O LEU A 15 9.683 23.825 10.512 1.00 1.08 O ATOM 219 CB LEU A 15 10.902 21.707 8.734 1.00 1.01 C ATOM 220 CG LEU A 15 11.016 20.466 7.867 1.00 0.96 C ATOM 221 CD1 LEU A 15 12.025 20.784 6.884 1.00 0.99 C ATOM 222 CD2 LEU A 15 11.434 19.226 8.653 1.00 0.99 C ATOM 0 H LEU A 15 8.707 20.539 8.242 1.00 0.92 H new ATOM 0 HA LEU A 15 9.975 20.652 10.426 1.00 1.03 H new ATOM 0 HB2 LEU A 15 10.661 22.573 8.117 1.00 1.01 H new ATOM 0 HB3 LEU A 15 11.857 21.915 9.216 1.00 1.01 H new ATOM 0 HG LEU A 15 10.048 20.223 7.430 1.00 0.96 H new ATOM 0 HD11 LEU A 15 12.165 19.933 6.218 1.00 0.99 H new ATOM 0 HD12 LEU A 15 11.708 21.651 6.304 1.00 0.99 H new ATOM 0 HD13 LEU A 15 12.965 21.009 7.387 1.00 0.99 H new ATOM 0 HD21 LEU A 15 11.498 18.372 7.979 1.00 0.99 H new ATOM 0 HD22 LEU A 15 12.407 19.398 9.114 1.00 0.99 H new ATOM 0 HD23 LEU A 15 10.696 19.021 9.429 1.00 0.99 H new ATOM 234 N LYS A 16 10.248 22.201 11.955 1.00 1.16 N ATOM 235 CA LYS A 16 10.398 23.044 13.193 1.00 1.22 C ATOM 236 C LYS A 16 11.321 24.263 13.047 1.00 1.46 C ATOM 237 O LYS A 16 11.079 25.318 13.601 1.00 1.65 O ATOM 238 CB LYS A 16 10.912 22.154 14.366 1.00 0.86 C ATOM 239 CG LYS A 16 9.951 20.977 14.722 1.00 1.01 C ATOM 240 CD LYS A 16 8.478 21.488 14.857 1.00 2.50 C ATOM 241 CE LYS A 16 7.548 20.551 15.669 1.00 3.42 C ATOM 242 NZ LYS A 16 7.791 19.138 15.270 1.00 3.01 N ATOM 0 H LYS A 16 10.440 21.213 12.120 1.00 1.16 H new ATOM 0 HA LYS A 16 9.405 23.447 13.391 1.00 1.22 H new ATOM 0 HB2 LYS A 16 11.889 21.748 14.103 1.00 0.86 H new ATOM 0 HB3 LYS A 16 11.053 22.777 15.249 1.00 0.86 H new ATOM 0 HG2 LYS A 16 10.006 20.210 13.950 1.00 1.01 H new ATOM 0 HG3 LYS A 16 10.267 20.512 15.656 1.00 1.01 H new ATOM 0 HD2 LYS A 16 8.489 22.469 15.331 1.00 2.50 H new ATOM 0 HD3 LYS A 16 8.059 21.620 13.859 1.00 2.50 H new ATOM 0 HE2 LYS A 16 7.732 20.675 16.736 1.00 3.42 H new ATOM 0 HE3 LYS A 16 6.505 20.815 15.493 1.00 3.42 H new ATOM 0 HZ1 LYS A 16 7.282 18.502 15.917 1.00 3.01 H new ATOM 0 HZ2 LYS A 16 7.451 18.988 14.299 1.00 3.01 H new ATOM 0 HZ3 LYS A 16 8.810 18.935 15.316 1.00 3.01 H new ATOM 256 N THR A 17 12.356 24.067 12.301 1.00 1.49 N ATOM 257 CA THR A 17 13.358 25.170 12.064 1.00 1.78 C ATOM 258 C THR A 17 13.016 25.812 10.737 1.00 1.85 C ATOM 259 O THR A 17 12.099 25.387 10.073 1.00 1.59 O ATOM 260 CB THR A 17 14.738 24.528 11.951 1.00 1.70 C ATOM 261 OG1 THR A 17 14.962 23.973 13.230 1.00 1.66 O ATOM 262 CG2 THR A 17 15.938 25.469 11.811 1.00 2.06 C ATOM 0 H THR A 17 12.570 23.187 11.832 1.00 1.49 H new ATOM 0 HA THR A 17 13.344 25.906 12.868 1.00 1.78 H new ATOM 0 HB THR A 17 14.700 23.890 11.068 1.00 1.70 H new ATOM 0 HG1 THR A 17 14.853 23.000 13.188 1.00 1.66 H new ATOM 0 HG21 THR A 17 16.854 24.882 11.740 1.00 2.06 H new ATOM 0 HG22 THR A 17 15.824 26.073 10.911 1.00 2.06 H new ATOM 0 HG23 THR A 17 15.992 26.122 12.682 1.00 2.06 H new ATOM 270 N LYS A 18 13.743 26.812 10.343 1.00 2.26 N ATOM 271 CA LYS A 18 13.442 27.477 9.036 1.00 2.33 C ATOM 272 C LYS A 18 14.409 26.868 7.993 1.00 1.99 C ATOM 273 O LYS A 18 15.583 27.196 8.011 1.00 2.30 O ATOM 274 CB LYS A 18 13.694 29.006 9.213 1.00 3.03 C ATOM 275 CG LYS A 18 13.068 29.860 8.055 1.00 3.15 C ATOM 276 CD LYS A 18 13.592 29.444 6.651 1.00 3.98 C ATOM 277 CE LYS A 18 13.092 30.405 5.563 1.00 4.38 C ATOM 278 NZ LYS A 18 13.464 29.817 4.239 1.00 5.46 N ATOM 0 H LYS A 18 14.531 27.202 10.861 1.00 2.26 H new ATOM 0 HA LYS A 18 12.412 27.328 8.710 1.00 2.33 H new ATOM 0 HB2 LYS A 18 13.276 29.331 10.166 1.00 3.03 H new ATOM 0 HB3 LYS A 18 14.767 29.191 9.256 1.00 3.03 H new ATOM 0 HG2 LYS A 18 11.983 29.757 8.079 1.00 3.15 H new ATOM 0 HG3 LYS A 18 13.292 30.913 8.224 1.00 3.15 H new ATOM 0 HD2 LYS A 18 14.682 29.432 6.656 1.00 3.98 H new ATOM 0 HD3 LYS A 18 13.263 28.430 6.423 1.00 3.98 H new ATOM 0 HE2 LYS A 18 12.012 30.537 5.634 1.00 4.38 H new ATOM 0 HE3 LYS A 18 13.542 31.390 5.685 1.00 4.38 H new ATOM 0 HZ1 LYS A 18 13.880 30.555 3.636 1.00 5.46 H new ATOM 0 HZ2 LYS A 18 14.156 29.054 4.380 1.00 5.46 H new ATOM 0 HZ3 LYS A 18 12.614 29.432 3.779 1.00 5.46 H new ATOM 292 N PRO A 19 13.942 26.001 7.113 1.00 1.49 N ATOM 293 CA PRO A 19 14.841 25.399 6.090 1.00 1.19 C ATOM 294 C PRO A 19 15.397 26.442 5.119 1.00 1.31 C ATOM 295 O PRO A 19 14.708 27.379 4.742 1.00 1.41 O ATOM 296 CB PRO A 19 13.966 24.423 5.327 1.00 0.82 C ATOM 297 CG PRO A 19 12.840 24.094 6.344 1.00 0.90 C ATOM 298 CD PRO A 19 12.556 25.468 6.982 1.00 1.39 C ATOM 0 HA PRO A 19 15.703 24.932 6.566 1.00 1.19 H new ATOM 0 HB2 PRO A 19 13.568 24.866 4.414 1.00 0.82 H new ATOM 0 HB3 PRO A 19 14.518 23.530 5.034 1.00 0.82 H new ATOM 0 HG2 PRO A 19 11.957 23.684 5.854 1.00 0.90 H new ATOM 0 HG3 PRO A 19 13.163 23.362 7.084 1.00 0.90 H new ATOM 0 HD2 PRO A 19 11.929 26.096 6.350 1.00 1.39 H new ATOM 0 HD3 PRO A 19 12.053 25.381 7.945 1.00 1.39 H new ATOM 306 N ALA A 20 16.629 26.268 4.719 1.00 1.38 N ATOM 307 CA ALA A 20 17.195 27.272 3.760 1.00 1.55 C ATOM 308 C ALA A 20 16.317 27.275 2.491 1.00 1.11 C ATOM 309 O ALA A 20 15.841 26.224 2.084 1.00 0.90 O ATOM 310 CB ALA A 20 18.621 26.851 3.369 1.00 1.83 C ATOM 0 H ALA A 20 17.250 25.508 4.998 1.00 1.38 H new ATOM 0 HA ALA A 20 17.215 28.261 4.219 1.00 1.55 H new ATOM 0 HB1 ALA A 20 19.037 27.578 2.672 1.00 1.83 H new ATOM 0 HB2 ALA A 20 19.245 26.807 4.262 1.00 1.83 H new ATOM 0 HB3 ALA A 20 18.594 25.869 2.896 1.00 1.83 H new ATOM 316 N ASP A 21 16.124 28.435 1.915 1.00 0.98 N ATOM 317 CA ASP A 21 15.296 28.489 0.694 1.00 0.60 C ATOM 318 C ASP A 21 15.813 27.419 -0.243 1.00 0.51 C ATOM 319 O ASP A 21 15.052 26.551 -0.566 1.00 0.40 O ATOM 320 CB ASP A 21 15.281 29.923 0.183 1.00 0.39 C ATOM 321 CG ASP A 21 14.176 30.627 0.958 1.00 1.05 C ATOM 322 OD1 ASP A 21 14.470 31.116 2.038 1.00 2.09 O ATOM 323 OD2 ASP A 21 13.080 30.604 0.425 1.00 1.28 O ATOM 0 H ASP A 21 16.500 29.327 2.237 1.00 0.98 H new ATOM 0 HA ASP A 21 14.242 28.255 0.845 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.244 30.407 0.348 1.00 0.39 H new ATOM 0 HB3 ASP A 21 15.088 29.954 -0.889 1.00 0.39 H new ATOM 328 N GLU A 22 17.038 27.449 -0.652 1.00 0.66 N ATOM 329 CA GLU A 22 17.586 26.428 -1.559 1.00 0.74 C ATOM 330 C GLU A 22 17.119 24.986 -1.228 1.00 0.83 C ATOM 331 O GLU A 22 16.918 24.234 -2.157 1.00 0.90 O ATOM 332 CB GLU A 22 19.068 26.673 -1.470 1.00 0.82 C ATOM 333 CG GLU A 22 19.451 27.839 -2.458 1.00 0.98 C ATOM 334 CD GLU A 22 18.733 29.197 -2.450 1.00 1.85 C ATOM 335 OE1 GLU A 22 18.016 29.549 -1.534 1.00 2.60 O ATOM 336 OE2 GLU A 22 18.929 29.919 -3.414 1.00 2.75 O ATOM 0 H GLU A 22 17.707 28.170 -0.382 1.00 0.66 H new ATOM 0 HA GLU A 22 17.227 26.512 -2.585 1.00 0.74 H new ATOM 0 HB2 GLU A 22 19.346 26.937 -0.450 1.00 0.82 H new ATOM 0 HB3 GLU A 22 19.616 25.766 -1.726 1.00 0.82 H new ATOM 0 HG2 GLU A 22 20.510 28.045 -2.301 1.00 0.98 H new ATOM 0 HG3 GLU A 22 19.350 27.439 -3.467 1.00 0.98 H new ATOM 343 N GLU A 23 16.941 24.588 0.015 1.00 0.88 N ATOM 344 CA GLU A 23 16.479 23.195 0.272 1.00 1.07 C ATOM 345 C GLU A 23 14.982 23.239 -0.021 1.00 0.72 C ATOM 346 O GLU A 23 14.488 22.400 -0.732 1.00 0.86 O ATOM 347 CB GLU A 23 16.890 22.781 1.687 1.00 1.41 C ATOM 348 CG GLU A 23 18.119 21.802 1.557 1.00 2.44 C ATOM 349 CD GLU A 23 19.201 22.359 0.643 1.00 3.82 C ATOM 350 OE1 GLU A 23 19.892 23.242 1.115 1.00 3.65 O ATOM 351 OE2 GLU A 23 19.230 21.841 -0.466 1.00 5.39 O ATOM 0 H GLU A 23 17.094 25.162 0.844 1.00 0.88 H new ATOM 0 HA GLU A 23 16.928 22.422 -0.352 1.00 1.07 H new ATOM 0 HB2 GLU A 23 17.158 23.656 2.280 1.00 1.41 H new ATOM 0 HB3 GLU A 23 16.062 22.291 2.199 1.00 1.41 H new ATOM 0 HG2 GLU A 23 18.540 21.616 2.545 1.00 2.44 H new ATOM 0 HG3 GLU A 23 17.778 20.842 1.170 1.00 2.44 H new ATOM 358 N MET A 24 14.256 24.179 0.511 1.00 0.41 N ATOM 359 CA MET A 24 12.782 24.250 0.210 1.00 0.20 C ATOM 360 C MET A 24 12.631 24.241 -1.341 1.00 0.41 C ATOM 361 O MET A 24 11.750 23.629 -1.907 1.00 0.64 O ATOM 362 CB MET A 24 12.259 25.565 0.804 1.00 0.21 C ATOM 363 CG MET A 24 12.427 25.494 2.315 1.00 0.68 C ATOM 364 SD MET A 24 11.625 24.083 3.113 1.00 2.62 S ATOM 365 CE MET A 24 10.039 24.884 3.439 1.00 2.30 C ATOM 0 H MET A 24 14.607 24.902 1.139 1.00 0.41 H new ATOM 0 HA MET A 24 12.221 23.417 0.633 1.00 0.20 H new ATOM 0 HB2 MET A 24 12.810 26.413 0.398 1.00 0.21 H new ATOM 0 HB3 MET A 24 11.211 25.712 0.543 1.00 0.21 H new ATOM 0 HG2 MET A 24 13.492 25.464 2.545 1.00 0.68 H new ATOM 0 HG3 MET A 24 12.032 26.411 2.752 1.00 0.68 H new ATOM 0 HE1 MET A 24 9.372 24.181 3.939 1.00 2.30 H new ATOM 0 HE2 MET A 24 10.195 25.753 4.078 1.00 2.30 H new ATOM 0 HE3 MET A 24 9.592 25.202 2.497 1.00 2.30 H new ATOM 375 N LEU A 25 13.536 24.953 -1.962 1.00 0.32 N ATOM 376 CA LEU A 25 13.642 25.115 -3.410 1.00 0.46 C ATOM 377 C LEU A 25 13.883 23.762 -4.008 1.00 0.48 C ATOM 378 O LEU A 25 13.161 23.386 -4.884 1.00 0.52 O ATOM 379 CB LEU A 25 14.803 25.970 -3.642 1.00 0.44 C ATOM 380 CG LEU A 25 14.536 27.443 -3.345 1.00 0.32 C ATOM 381 CD1 LEU A 25 14.757 28.077 -4.628 1.00 0.51 C ATOM 382 CD2 LEU A 25 13.212 27.888 -2.795 1.00 0.40 C ATOM 0 H LEU A 25 14.259 25.465 -1.457 1.00 0.32 H new ATOM 0 HA LEU A 25 12.745 25.550 -3.850 1.00 0.46 H new ATOM 0 HB2 LEU A 25 15.630 25.625 -3.021 1.00 0.44 H new ATOM 0 HB3 LEU A 25 15.120 25.867 -4.680 1.00 0.44 H new ATOM 0 HG LEU A 25 15.184 27.713 -2.511 1.00 0.32 H new ATOM 0 HD11 LEU A 25 14.592 29.151 -4.537 1.00 0.51 H new ATOM 0 HD12 LEU A 25 15.781 27.894 -4.953 1.00 0.51 H new ATOM 0 HD13 LEU A 25 14.064 27.665 -5.362 1.00 0.51 H new ATOM 0 HD21 LEU A 25 13.222 28.969 -2.653 1.00 0.40 H new ATOM 0 HD22 LEU A 25 12.419 27.621 -3.494 1.00 0.40 H new ATOM 0 HD23 LEU A 25 13.032 27.398 -1.838 1.00 0.40 H new ATOM 394 N PHE A 26 14.898 23.125 -3.494 1.00 0.50 N ATOM 395 CA PHE A 26 15.368 21.747 -3.889 1.00 0.46 C ATOM 396 C PHE A 26 14.152 20.813 -3.827 1.00 0.31 C ATOM 397 O PHE A 26 13.712 20.241 -4.797 1.00 0.23 O ATOM 398 CB PHE A 26 16.391 21.298 -2.820 1.00 0.50 C ATOM 399 CG PHE A 26 17.012 19.974 -3.225 1.00 0.54 C ATOM 400 CD1 PHE A 26 18.014 19.897 -4.172 1.00 1.87 C ATOM 401 CD2 PHE A 26 16.538 18.827 -2.639 1.00 0.82 C ATOM 402 CE1 PHE A 26 18.542 18.677 -4.535 1.00 2.04 C ATOM 403 CE2 PHE A 26 17.065 17.604 -3.004 1.00 0.72 C ATOM 404 CZ PHE A 26 18.065 17.524 -3.948 1.00 0.89 C ATOM 0 H PHE A 26 15.470 23.534 -2.755 1.00 0.50 H new ATOM 0 HA PHE A 26 15.811 21.733 -4.885 1.00 0.46 H new ATOM 0 HB2 PHE A 26 17.168 22.054 -2.707 1.00 0.50 H new ATOM 0 HB3 PHE A 26 15.899 21.198 -1.852 1.00 0.50 H new ATOM 0 HD1 PHE A 26 18.387 20.800 -4.632 1.00 1.87 H new ATOM 0 HD2 PHE A 26 15.756 18.881 -1.896 1.00 0.82 H new ATOM 0 HE1 PHE A 26 19.326 18.624 -5.276 1.00 2.04 H new ATOM 0 HE2 PHE A 26 16.690 16.701 -2.545 1.00 0.72 H new ATOM 0 HZ PHE A 26 18.473 16.564 -4.227 1.00 0.89 H new ATOM 414 N ILE A 27 13.655 20.709 -2.631 1.00 0.28 N ATOM 415 CA ILE A 27 12.465 19.879 -2.302 1.00 0.16 C ATOM 416 C ILE A 27 11.436 20.243 -3.367 1.00 0.11 C ATOM 417 O ILE A 27 11.131 19.459 -4.226 1.00 0.15 O ATOM 418 CB ILE A 27 12.038 20.373 -0.880 1.00 0.19 C ATOM 419 CG1 ILE A 27 12.532 19.471 0.261 1.00 0.32 C ATOM 420 CG2 ILE A 27 10.496 20.436 -0.645 1.00 0.07 C ATOM 421 CD1 ILE A 27 13.934 18.898 0.076 1.00 0.39 C ATOM 0 H ILE A 27 14.048 21.193 -1.824 1.00 0.28 H new ATOM 0 HA ILE A 27 12.609 18.799 -2.292 1.00 0.16 H new ATOM 0 HB ILE A 27 12.490 21.365 -0.862 1.00 0.19 H new ATOM 0 HG12 ILE A 27 12.510 20.042 1.189 1.00 0.32 H new ATOM 0 HG13 ILE A 27 11.832 18.644 0.378 1.00 0.32 H new ATOM 0 HG21 ILE A 27 10.296 20.789 0.367 1.00 0.07 H new ATOM 0 HG22 ILE A 27 10.046 21.121 -1.364 1.00 0.07 H new ATOM 0 HG23 ILE A 27 10.067 19.442 -0.774 1.00 0.07 H new ATOM 0 HD11 ILE A 27 14.189 18.276 0.934 1.00 0.39 H new ATOM 0 HD12 ILE A 27 13.964 18.294 -0.831 1.00 0.39 H new ATOM 0 HD13 ILE A 27 14.652 19.714 -0.007 1.00 0.39 H new ATOM 433 N TYR A 28 10.943 21.443 -3.283 1.00 0.13 N ATOM 434 CA TYR A 28 9.927 21.963 -4.235 1.00 0.18 C ATOM 435 C TYR A 28 10.178 21.565 -5.693 1.00 0.20 C ATOM 436 O TYR A 28 9.404 20.884 -6.319 1.00 0.21 O ATOM 437 CB TYR A 28 9.969 23.498 -4.113 1.00 0.26 C ATOM 438 CG TYR A 28 9.071 24.060 -5.189 1.00 0.35 C ATOM 439 CD1 TYR A 28 7.709 23.867 -5.076 1.00 1.42 C ATOM 440 CD2 TYR A 28 9.607 24.730 -6.271 1.00 0.82 C ATOM 441 CE1 TYR A 28 6.860 24.338 -6.039 1.00 1.52 C ATOM 442 CE2 TYR A 28 8.733 25.203 -7.239 1.00 0.76 C ATOM 443 CZ TYR A 28 7.367 25.001 -7.119 1.00 0.62 C ATOM 444 OH TYR A 28 6.486 25.429 -8.082 1.00 0.81 O ATOM 0 H TYR A 28 11.215 22.112 -2.563 1.00 0.13 H new ATOM 0 HA TYR A 28 8.958 21.535 -3.978 1.00 0.18 H new ATOM 0 HB2 TYR A 28 9.630 23.814 -3.126 1.00 0.26 H new ATOM 0 HB3 TYR A 28 10.988 23.865 -4.233 1.00 0.26 H new ATOM 0 HD1 TYR A 28 7.311 23.340 -4.221 1.00 1.42 H new ATOM 0 HD2 TYR A 28 10.673 24.881 -6.361 1.00 0.82 H new ATOM 0 HE1 TYR A 28 5.795 24.186 -5.946 1.00 1.52 H new ATOM 0 HE2 TYR A 28 9.121 25.734 -8.095 1.00 0.76 H new ATOM 0 HH TYR A 28 6.648 24.938 -8.915 1.00 0.81 H new ATOM 454 N SER A 29 11.285 22.033 -6.172 1.00 0.22 N ATOM 455 CA SER A 29 11.782 21.819 -7.539 1.00 0.19 C ATOM 456 C SER A 29 11.692 20.327 -7.921 1.00 0.11 C ATOM 457 O SER A 29 11.001 19.901 -8.834 1.00 0.18 O ATOM 458 CB SER A 29 13.238 22.427 -7.540 1.00 0.25 C ATOM 459 OG SER A 29 14.086 21.743 -6.630 1.00 0.38 O ATOM 0 H SER A 29 11.916 22.606 -5.612 1.00 0.22 H new ATOM 0 HA SER A 29 11.188 22.312 -8.309 1.00 0.19 H new ATOM 0 HB2 SER A 29 13.657 22.369 -8.544 1.00 0.25 H new ATOM 0 HB3 SER A 29 13.193 23.483 -7.274 1.00 0.25 H new ATOM 0 HG SER A 29 13.658 21.706 -5.749 1.00 0.38 H new ATOM 465 N HIS A 30 12.429 19.562 -7.164 1.00 0.01 N ATOM 466 CA HIS A 30 12.476 18.105 -7.362 1.00 0.12 C ATOM 467 C HIS A 30 11.050 17.566 -7.278 1.00 0.13 C ATOM 468 O HIS A 30 10.643 16.858 -8.167 1.00 0.22 O ATOM 469 CB HIS A 30 13.393 17.564 -6.256 1.00 0.17 C ATOM 470 CG HIS A 30 14.854 17.736 -6.664 1.00 0.27 C ATOM 471 ND1 HIS A 30 15.649 16.764 -6.962 1.00 1.39 N ATOM 472 CD2 HIS A 30 15.631 18.862 -6.808 1.00 1.43 C ATOM 473 CE1 HIS A 30 16.823 17.230 -7.267 1.00 0.99 C ATOM 474 NE2 HIS A 30 16.851 18.538 -7.184 1.00 0.88 N ATOM 0 H HIS A 30 13.012 19.905 -6.400 1.00 0.01 H new ATOM 0 HA HIS A 30 12.869 17.801 -8.332 1.00 0.12 H new ATOM 0 HB2 HIS A 30 13.202 18.093 -5.322 1.00 0.17 H new ATOM 0 HB3 HIS A 30 13.178 16.511 -6.076 1.00 0.17 H new ATOM 0 HD2 HIS A 30 15.288 19.872 -6.637 1.00 1.43 H new ATOM 0 HE1 HIS A 30 17.667 16.619 -7.552 1.00 0.99 H new ATOM 0 HE2 HIS A 30 17.637 19.161 -7.368 1.00 0.88 H new ATOM 482 N TYR A 31 10.326 17.905 -6.239 1.00 0.10 N ATOM 483 CA TYR A 31 8.919 17.425 -6.078 1.00 0.20 C ATOM 484 C TYR A 31 8.201 17.695 -7.354 1.00 0.26 C ATOM 485 O TYR A 31 7.860 16.782 -8.072 1.00 0.37 O ATOM 486 CB TYR A 31 8.123 18.236 -5.008 1.00 0.25 C ATOM 487 CG TYR A 31 6.672 17.703 -4.821 1.00 0.37 C ATOM 488 CD1 TYR A 31 6.465 16.706 -3.889 1.00 0.59 C ATOM 489 CD2 TYR A 31 5.567 18.177 -5.532 1.00 1.16 C ATOM 490 CE1 TYR A 31 5.214 16.184 -3.651 1.00 0.53 C ATOM 491 CE2 TYR A 31 4.301 17.638 -5.282 1.00 1.23 C ATOM 492 CZ TYR A 31 4.126 16.639 -4.338 1.00 0.52 C ATOM 493 OH TYR A 31 2.898 16.072 -4.068 1.00 0.58 O ATOM 0 H TYR A 31 10.657 18.504 -5.483 1.00 0.10 H new ATOM 0 HA TYR A 31 8.972 16.375 -5.791 1.00 0.20 H new ATOM 0 HB2 TYR A 31 8.650 18.191 -4.055 1.00 0.25 H new ATOM 0 HB3 TYR A 31 8.087 19.285 -5.303 1.00 0.25 H new ATOM 0 HD1 TYR A 31 7.308 16.325 -3.331 1.00 0.59 H new ATOM 0 HD2 TYR A 31 5.690 18.955 -6.271 1.00 1.16 H new ATOM 0 HE1 TYR A 31 5.092 15.406 -2.912 1.00 0.53 H new ATOM 0 HE2 TYR A 31 3.448 18.006 -5.833 1.00 1.23 H new ATOM 0 HH TYR A 31 3.023 15.145 -3.775 1.00 0.58 H new ATOM 503 N LYS A 32 7.998 18.957 -7.601 1.00 0.23 N ATOM 504 CA LYS A 32 7.298 19.399 -8.818 1.00 0.29 C ATOM 505 C LYS A 32 7.727 18.536 -10.009 1.00 0.30 C ATOM 506 O LYS A 32 6.877 18.069 -10.737 1.00 0.35 O ATOM 507 CB LYS A 32 7.552 20.862 -8.888 1.00 0.34 C ATOM 508 CG LYS A 32 6.958 21.624 -7.667 1.00 0.36 C ATOM 509 CD LYS A 32 5.422 21.484 -7.517 1.00 0.38 C ATOM 510 CE LYS A 32 4.826 22.330 -8.550 1.00 0.83 C ATOM 511 NZ LYS A 32 3.341 22.228 -8.471 1.00 0.89 N ATOM 0 H LYS A 32 8.300 19.714 -6.988 1.00 0.23 H new ATOM 0 HA LYS A 32 6.217 19.258 -8.821 1.00 0.29 H new ATOM 0 HB2 LYS A 32 8.626 21.040 -8.937 1.00 0.34 H new ATOM 0 HB3 LYS A 32 7.121 21.260 -9.807 1.00 0.34 H new ATOM 0 HG2 LYS A 32 7.435 21.259 -6.758 1.00 0.36 H new ATOM 0 HG3 LYS A 32 7.208 22.681 -7.756 1.00 0.36 H new ATOM 0 HD2 LYS A 32 5.113 20.446 -7.640 1.00 0.38 H new ATOM 0 HD3 LYS A 32 5.099 21.798 -6.524 1.00 0.38 H new ATOM 0 HE2 LYS A 32 5.139 23.365 -8.414 1.00 0.83 H new ATOM 0 HE3 LYS A 32 5.172 22.019 -9.536 1.00 0.83 H new ATOM 0 HZ1 LYS A 32 2.918 22.658 -9.318 1.00 0.89 H new ATOM 0 HZ2 LYS A 32 3.064 21.227 -8.416 1.00 0.89 H new ATOM 0 HZ3 LYS A 32 3.003 22.728 -7.624 1.00 0.89 H new ATOM 525 N GLN A 33 9.013 18.351 -10.180 1.00 0.24 N ATOM 526 CA GLN A 33 9.473 17.493 -11.328 1.00 0.28 C ATOM 527 C GLN A 33 8.981 16.047 -11.167 1.00 0.33 C ATOM 528 O GLN A 33 8.268 15.540 -12.007 1.00 0.27 O ATOM 529 CB GLN A 33 10.984 17.504 -11.374 1.00 0.25 C ATOM 530 CG GLN A 33 11.399 18.776 -12.097 1.00 0.35 C ATOM 531 CD GLN A 33 11.637 18.510 -13.580 1.00 0.48 C ATOM 532 OE1 GLN A 33 12.696 18.100 -13.969 1.00 0.86 O ATOM 533 NE2 GLN A 33 10.720 18.686 -14.471 1.00 0.47 N ATOM 0 H GLN A 33 9.751 18.743 -9.595 1.00 0.24 H new ATOM 0 HA GLN A 33 9.060 17.895 -12.253 1.00 0.28 H new ATOM 0 HB2 GLN A 33 11.400 17.480 -10.367 1.00 0.25 H new ATOM 0 HB3 GLN A 33 11.360 16.624 -11.896 1.00 0.25 H new ATOM 0 HG2 GLN A 33 10.625 19.534 -11.980 1.00 0.35 H new ATOM 0 HG3 GLN A 33 12.307 19.175 -11.645 1.00 0.35 H new ATOM 0 HE21 GLN A 33 9.801 19.033 -14.196 1.00 0.47 H new ATOM 0 HE22 GLN A 33 10.914 18.478 -15.451 1.00 0.47 H new ATOM 542 N ALA A 34 9.381 15.438 -10.091 1.00 0.43 N ATOM 543 CA ALA A 34 9.012 14.036 -9.748 1.00 0.48 C ATOM 544 C ALA A 34 7.515 13.755 -9.939 1.00 0.53 C ATOM 545 O ALA A 34 7.093 12.717 -10.409 1.00 0.55 O ATOM 546 CB ALA A 34 9.270 13.931 -8.245 1.00 0.33 C ATOM 0 H ALA A 34 9.983 15.880 -9.396 1.00 0.43 H new ATOM 0 HA ALA A 34 9.572 13.345 -10.378 1.00 0.48 H new ATOM 0 HB1 ALA A 34 9.024 12.926 -7.903 1.00 0.33 H new ATOM 0 HB2 ALA A 34 10.321 14.137 -8.041 1.00 0.33 H new ATOM 0 HB3 ALA A 34 8.649 14.656 -7.718 1.00 0.33 H new ATOM 552 N THR A 35 6.765 14.742 -9.556 1.00 0.52 N ATOM 553 CA THR A 35 5.267 14.712 -9.623 1.00 0.58 C ATOM 554 C THR A 35 4.556 15.234 -10.859 1.00 0.72 C ATOM 555 O THR A 35 4.014 14.464 -11.627 1.00 1.04 O ATOM 556 CB THR A 35 4.767 15.588 -8.430 1.00 0.50 C ATOM 557 OG1 THR A 35 5.397 16.857 -8.552 1.00 0.51 O ATOM 558 CG2 THR A 35 5.347 15.084 -7.157 1.00 0.38 C ATOM 0 H THR A 35 7.140 15.613 -9.180 1.00 0.52 H new ATOM 0 HA THR A 35 5.025 13.649 -9.616 1.00 0.58 H new ATOM 0 HB THR A 35 3.677 15.595 -8.436 1.00 0.50 H new ATOM 0 HG1 THR A 35 6.214 16.870 -8.010 1.00 0.51 H new ATOM 0 HG21 THR A 35 4.995 15.699 -6.328 1.00 0.38 H new ATOM 0 HG22 THR A 35 5.037 14.051 -7.000 1.00 0.38 H new ATOM 0 HG23 THR A 35 6.435 15.133 -7.208 1.00 0.38 H new ATOM 566 N VAL A 36 4.627 16.518 -11.022 1.00 0.54 N ATOM 567 CA VAL A 36 3.982 17.268 -12.159 1.00 0.62 C ATOM 568 C VAL A 36 4.739 17.120 -13.459 1.00 0.59 C ATOM 569 O VAL A 36 4.197 16.766 -14.489 1.00 0.64 O ATOM 570 CB VAL A 36 4.117 18.799 -11.780 1.00 0.56 C ATOM 571 CG1 VAL A 36 3.518 19.727 -12.830 1.00 0.61 C ATOM 572 CG2 VAL A 36 3.531 19.099 -10.429 1.00 0.56 C ATOM 0 H VAL A 36 5.135 17.125 -10.379 1.00 0.54 H new ATOM 0 HA VAL A 36 2.966 16.896 -12.293 1.00 0.62 H new ATOM 0 HB VAL A 36 5.189 18.995 -11.744 1.00 0.56 H new ATOM 0 HG11 VAL A 36 3.641 20.763 -12.513 1.00 0.61 H new ATOM 0 HG12 VAL A 36 4.027 19.576 -13.782 1.00 0.61 H new ATOM 0 HG13 VAL A 36 2.457 19.507 -12.947 1.00 0.61 H new ATOM 0 HG21 VAL A 36 3.646 20.161 -10.210 1.00 0.56 H new ATOM 0 HG22 VAL A 36 2.472 18.840 -10.426 1.00 0.56 H new ATOM 0 HG23 VAL A 36 4.050 18.514 -9.669 1.00 0.56 H new ATOM 582 N GLY A 37 5.989 17.414 -13.287 1.00 0.50 N ATOM 583 CA GLY A 37 7.010 17.376 -14.363 1.00 0.46 C ATOM 584 C GLY A 37 7.753 18.714 -14.498 1.00 0.38 C ATOM 585 O GLY A 37 8.154 19.375 -13.553 1.00 0.38 O ATOM 0 H GLY A 37 6.368 17.698 -12.384 1.00 0.50 H new ATOM 0 HA2 GLY A 37 7.727 16.582 -14.154 1.00 0.46 H new ATOM 0 HA3 GLY A 37 6.530 17.131 -15.310 1.00 0.46 H new ATOM 589 N ASP A 38 7.897 19.046 -15.738 1.00 0.33 N ATOM 590 CA ASP A 38 8.579 20.273 -16.197 1.00 0.29 C ATOM 591 C ASP A 38 7.830 21.595 -15.946 1.00 0.36 C ATOM 592 O ASP A 38 6.826 21.862 -16.574 1.00 0.75 O ATOM 593 CB ASP A 38 8.707 19.967 -17.707 1.00 0.39 C ATOM 594 CG ASP A 38 9.265 18.560 -17.883 1.00 0.47 C ATOM 595 OD1 ASP A 38 10.291 18.269 -17.280 1.00 0.89 O ATOM 596 OD2 ASP A 38 8.580 17.877 -18.617 1.00 1.45 O ATOM 0 H ASP A 38 7.543 18.473 -16.504 1.00 0.33 H new ATOM 0 HA ASP A 38 9.508 20.456 -15.657 1.00 0.29 H new ATOM 0 HB2 ASP A 38 7.734 20.049 -18.192 1.00 0.39 H new ATOM 0 HB3 ASP A 38 9.363 20.695 -18.184 1.00 0.39 H new ATOM 601 N ILE A 39 8.367 22.357 -15.015 1.00 0.11 N ATOM 602 CA ILE A 39 7.818 23.694 -14.608 1.00 0.14 C ATOM 603 C ILE A 39 6.849 24.263 -15.646 1.00 0.32 C ATOM 604 O ILE A 39 7.182 24.929 -16.604 1.00 0.38 O ATOM 605 CB ILE A 39 8.931 24.562 -14.130 1.00 0.11 C ATOM 606 CG1 ILE A 39 8.270 25.672 -13.292 1.00 0.17 C ATOM 607 CG2 ILE A 39 9.789 25.101 -15.278 1.00 0.08 C ATOM 608 CD1 ILE A 39 9.374 26.215 -12.433 1.00 0.15 C ATOM 0 H ILE A 39 9.205 22.090 -14.498 1.00 0.11 H new ATOM 0 HA ILE A 39 7.160 23.606 -13.744 1.00 0.14 H new ATOM 0 HB ILE A 39 9.640 23.998 -13.524 1.00 0.11 H new ATOM 0 HG12 ILE A 39 7.846 26.449 -13.929 1.00 0.17 H new ATOM 0 HG13 ILE A 39 7.455 25.277 -12.685 1.00 0.17 H new ATOM 0 HG21 ILE A 39 10.585 25.727 -14.875 1.00 0.08 H new ATOM 0 HG22 ILE A 39 10.226 24.268 -15.828 1.00 0.08 H new ATOM 0 HG23 ILE A 39 9.167 25.693 -15.950 1.00 0.08 H new ATOM 0 HD11 ILE A 39 8.985 27.014 -11.802 1.00 0.15 H new ATOM 0 HD12 ILE A 39 9.772 25.418 -11.805 1.00 0.15 H new ATOM 0 HD13 ILE A 39 10.169 26.608 -13.067 1.00 0.15 H new ATOM 620 N ASN A 40 5.632 23.948 -15.356 1.00 0.42 N ATOM 621 CA ASN A 40 4.452 24.332 -16.184 1.00 0.61 C ATOM 622 C ASN A 40 3.532 25.323 -15.468 1.00 0.74 C ATOM 623 O ASN A 40 2.319 25.221 -15.452 1.00 0.89 O ATOM 624 CB ASN A 40 3.765 22.980 -16.456 1.00 0.78 C ATOM 625 CG ASN A 40 3.408 22.330 -15.127 1.00 0.63 C ATOM 626 OD1 ASN A 40 4.230 22.107 -14.266 1.00 1.65 O ATOM 627 ND2 ASN A 40 2.179 22.007 -14.912 1.00 1.34 N ATOM 0 H ASN A 40 5.385 23.406 -14.528 1.00 0.42 H new ATOM 0 HA ASN A 40 4.729 24.858 -17.098 1.00 0.61 H new ATOM 0 HB2 ASN A 40 2.867 23.128 -17.056 1.00 0.78 H new ATOM 0 HB3 ASN A 40 4.427 22.329 -17.028 1.00 0.78 H new ATOM 0 HD21 ASN A 40 1.913 21.572 -14.029 1.00 1.34 H new ATOM 0 HD22 ASN A 40 1.472 22.187 -15.625 1.00 1.34 H new ATOM 634 N THR A 41 4.239 26.242 -14.884 1.00 0.75 N ATOM 635 CA THR A 41 3.648 27.375 -14.101 1.00 0.88 C ATOM 636 C THR A 41 4.274 28.660 -14.644 1.00 0.81 C ATOM 637 O THR A 41 4.577 28.782 -15.815 1.00 1.27 O ATOM 638 CB THR A 41 4.059 27.279 -12.614 1.00 0.85 C ATOM 639 OG1 THR A 41 5.461 27.538 -12.582 1.00 0.65 O ATOM 640 CG2 THR A 41 3.999 25.916 -12.094 1.00 0.94 C ATOM 0 H THR A 41 5.258 26.260 -14.916 1.00 0.75 H new ATOM 0 HA THR A 41 2.562 27.352 -14.187 1.00 0.88 H new ATOM 0 HB THR A 41 3.406 27.945 -12.050 1.00 0.85 H new ATOM 0 HG1 THR A 41 5.669 28.118 -11.820 1.00 0.65 H new ATOM 0 HG21 THR A 41 4.299 25.913 -11.046 1.00 0.94 H new ATOM 0 HG22 THR A 41 2.980 25.538 -12.181 1.00 0.94 H new ATOM 0 HG23 THR A 41 4.673 25.278 -12.666 1.00 0.94 H new ATOM 648 N GLU A 42 4.445 29.584 -13.744 1.00 0.75 N ATOM 649 CA GLU A 42 5.050 30.885 -14.097 1.00 0.89 C ATOM 650 C GLU A 42 6.313 31.239 -13.377 1.00 0.46 C ATOM 651 O GLU A 42 6.454 31.168 -12.174 1.00 0.20 O ATOM 652 CB GLU A 42 4.218 32.008 -13.751 1.00 1.27 C ATOM 653 CG GLU A 42 3.165 32.106 -14.779 1.00 1.63 C ATOM 654 CD GLU A 42 2.262 33.283 -14.404 1.00 1.73 C ATOM 655 OE1 GLU A 42 2.823 34.354 -14.210 1.00 2.14 O ATOM 656 OE2 GLU A 42 1.069 33.044 -14.328 1.00 2.04 O ATOM 0 H GLU A 42 4.185 29.486 -12.763 1.00 0.75 H new ATOM 0 HA GLU A 42 5.209 30.734 -15.165 1.00 0.89 H new ATOM 0 HB2 GLU A 42 3.779 31.871 -12.763 1.00 1.27 H new ATOM 0 HB3 GLU A 42 4.806 32.925 -13.714 1.00 1.27 H new ATOM 0 HG2 GLU A 42 3.605 32.259 -15.764 1.00 1.63 H new ATOM 0 HG3 GLU A 42 2.589 31.182 -14.827 1.00 1.63 H new ATOM 663 N ARG A 43 7.157 31.671 -14.228 1.00 0.62 N ATOM 664 CA ARG A 43 8.490 32.087 -13.817 1.00 0.70 C ATOM 665 C ARG A 43 8.616 33.570 -13.428 1.00 0.71 C ATOM 666 O ARG A 43 8.017 34.418 -14.058 1.00 0.47 O ATOM 667 CB ARG A 43 9.316 31.859 -15.056 1.00 1.10 C ATOM 668 CG ARG A 43 10.786 32.127 -14.695 1.00 1.37 C ATOM 669 CD ARG A 43 11.702 31.792 -15.841 1.00 1.83 C ATOM 670 NE ARG A 43 13.077 31.639 -15.220 1.00 2.18 N ATOM 671 CZ ARG A 43 14.112 32.341 -15.478 1.00 2.29 C ATOM 672 NH1 ARG A 43 14.307 32.798 -16.641 1.00 3.09 N ATOM 673 NH2 ARG A 43 14.909 32.529 -14.513 1.00 1.81 N ATOM 0 H ARG A 43 6.973 31.757 -15.228 1.00 0.62 H new ATOM 0 HA ARG A 43 8.789 31.536 -12.925 1.00 0.70 H new ATOM 0 HB2 ARG A 43 9.191 30.838 -15.416 1.00 1.10 H new ATOM 0 HB3 ARG A 43 8.992 32.522 -15.858 1.00 1.10 H new ATOM 0 HG2 ARG A 43 10.910 33.175 -14.422 1.00 1.37 H new ATOM 0 HG3 ARG A 43 11.062 31.536 -13.822 1.00 1.37 H new ATOM 0 HD2 ARG A 43 11.390 30.874 -16.339 1.00 1.83 H new ATOM 0 HD3 ARG A 43 11.695 32.580 -16.594 1.00 1.83 H new ATOM 0 HE ARG A 43 13.186 30.900 -14.525 1.00 2.18 H new ATOM 0 HH11 ARG A 43 13.634 32.607 -17.383 1.00 3.09 H new ATOM 0 HH12 ARG A 43 15.137 33.358 -16.836 1.00 3.09 H new ATOM 0 HH21 ARG A 43 14.705 32.128 -13.597 1.00 1.81 H new ATOM 0 HH22 ARG A 43 15.756 33.081 -14.651 1.00 1.81 H new ATOM 687 N PRO A 44 9.371 33.821 -12.371 1.00 1.35 N ATOM 688 CA PRO A 44 9.631 35.198 -11.847 1.00 1.89 C ATOM 689 C PRO A 44 9.687 36.308 -12.937 1.00 1.90 C ATOM 690 O PRO A 44 10.043 36.065 -14.073 1.00 2.03 O ATOM 691 CB PRO A 44 11.022 35.026 -11.133 1.00 2.80 C ATOM 692 CG PRO A 44 11.311 33.466 -11.057 1.00 3.27 C ATOM 693 CD PRO A 44 10.046 32.783 -11.531 1.00 1.74 C ATOM 0 HA PRO A 44 8.823 35.541 -11.201 1.00 1.89 H new ATOM 0 HB2 PRO A 44 11.808 35.538 -11.689 1.00 2.80 H new ATOM 0 HB3 PRO A 44 11.001 35.464 -10.135 1.00 2.80 H new ATOM 0 HG2 PRO A 44 12.159 33.195 -11.686 1.00 3.27 H new ATOM 0 HG3 PRO A 44 11.559 33.164 -10.039 1.00 3.27 H new ATOM 0 HD2 PRO A 44 10.269 31.885 -12.107 1.00 1.74 H new ATOM 0 HD3 PRO A 44 9.419 32.477 -10.693 1.00 1.74 H new ATOM 701 N GLY A 45 9.371 37.517 -12.557 1.00 2.06 N ATOM 702 CA GLY A 45 9.406 38.616 -13.605 1.00 2.27 C ATOM 703 C GLY A 45 8.833 39.937 -13.141 1.00 2.01 C ATOM 704 O GLY A 45 9.080 40.973 -13.727 1.00 2.68 O ATOM 0 H GLY A 45 9.100 37.798 -11.615 1.00 2.06 H new ATOM 0 HA2 GLY A 45 10.439 38.771 -13.918 1.00 2.27 H new ATOM 0 HA3 GLY A 45 8.854 38.282 -14.483 1.00 2.27 H new ATOM 708 N MET A 46 8.067 39.849 -12.093 1.00 1.40 N ATOM 709 CA MET A 46 7.446 41.067 -11.520 1.00 1.55 C ATOM 710 C MET A 46 8.458 41.421 -10.406 1.00 1.59 C ATOM 711 O MET A 46 9.583 40.954 -10.415 1.00 1.59 O ATOM 712 CB MET A 46 6.038 40.695 -10.997 1.00 1.65 C ATOM 713 CG MET A 46 5.145 41.957 -10.878 1.00 1.23 C ATOM 714 SD MET A 46 4.795 42.858 -12.409 1.00 1.95 S ATOM 715 CE MET A 46 5.995 44.210 -12.280 1.00 2.46 C ATOM 0 H MET A 46 7.844 38.980 -11.607 1.00 1.40 H new ATOM 0 HA MET A 46 7.281 41.906 -12.196 1.00 1.55 H new ATOM 0 HB2 MET A 46 5.572 39.977 -11.672 1.00 1.65 H new ATOM 0 HB3 MET A 46 6.122 40.210 -10.024 1.00 1.65 H new ATOM 0 HG2 MET A 46 4.195 41.660 -10.434 1.00 1.23 H new ATOM 0 HG3 MET A 46 5.621 42.646 -10.180 1.00 1.23 H new ATOM 0 HE1 MET A 46 5.471 45.144 -12.078 1.00 2.46 H new ATOM 0 HE2 MET A 46 6.692 44.002 -11.468 1.00 2.46 H new ATOM 0 HE3 MET A 46 6.546 44.298 -13.217 1.00 2.46 H new ATOM 725 N LEU A 47 8.087 42.214 -9.452 1.00 1.91 N ATOM 726 CA LEU A 47 9.086 42.548 -8.393 1.00 2.19 C ATOM 727 C LEU A 47 9.092 41.489 -7.265 1.00 1.86 C ATOM 728 O LEU A 47 8.943 41.809 -6.104 1.00 2.35 O ATOM 729 CB LEU A 47 8.731 43.988 -7.899 1.00 3.14 C ATOM 730 CG LEU A 47 9.997 44.875 -7.852 1.00 3.36 C ATOM 731 CD1 LEU A 47 9.570 46.297 -7.476 1.00 4.25 C ATOM 732 CD2 LEU A 47 10.952 44.368 -6.767 1.00 2.62 C ATOM 0 H LEU A 47 7.165 42.639 -9.352 1.00 1.91 H new ATOM 0 HA LEU A 47 10.106 42.533 -8.777 1.00 2.19 H new ATOM 0 HB2 LEU A 47 7.992 44.435 -8.564 1.00 3.14 H new ATOM 0 HB3 LEU A 47 8.279 43.937 -6.908 1.00 3.14 H new ATOM 0 HG LEU A 47 10.495 44.850 -8.821 1.00 3.36 H new ATOM 0 HD11 LEU A 47 10.448 46.942 -7.437 1.00 4.25 H new ATOM 0 HD12 LEU A 47 8.873 46.677 -8.223 1.00 4.25 H new ATOM 0 HD13 LEU A 47 9.084 46.285 -6.500 1.00 4.25 H new ATOM 0 HD21 LEU A 47 11.841 44.998 -6.741 1.00 2.62 H new ATOM 0 HD22 LEU A 47 10.454 44.403 -5.798 1.00 2.62 H new ATOM 0 HD23 LEU A 47 11.242 43.341 -6.989 1.00 2.62 H new ATOM 744 N ASP A 48 9.277 40.240 -7.619 1.00 1.38 N ATOM 745 CA ASP A 48 9.295 39.169 -6.564 1.00 1.27 C ATOM 746 C ASP A 48 10.718 38.578 -6.339 1.00 0.96 C ATOM 747 O ASP A 48 11.507 38.468 -7.255 1.00 1.76 O ATOM 748 CB ASP A 48 8.211 38.095 -6.893 1.00 1.91 C ATOM 749 CG ASP A 48 7.677 38.099 -8.335 1.00 2.22 C ATOM 750 OD1 ASP A 48 8.409 37.870 -9.290 1.00 1.87 O ATOM 751 OD2 ASP A 48 6.485 38.314 -8.444 1.00 3.40 O ATOM 0 H ASP A 48 9.415 39.916 -8.576 1.00 1.38 H new ATOM 0 HA ASP A 48 9.035 39.613 -5.603 1.00 1.27 H new ATOM 0 HB2 ASP A 48 8.628 37.110 -6.683 1.00 1.91 H new ATOM 0 HB3 ASP A 48 7.370 38.236 -6.214 1.00 1.91 H new ATOM 756 N PHE A 49 11.008 38.188 -5.121 1.00 0.84 N ATOM 757 CA PHE A 49 12.369 37.616 -4.809 1.00 0.46 C ATOM 758 C PHE A 49 12.423 36.098 -4.437 1.00 0.49 C ATOM 759 O PHE A 49 12.196 35.217 -5.253 1.00 1.03 O ATOM 760 CB PHE A 49 12.946 38.489 -3.621 1.00 0.67 C ATOM 761 CG PHE A 49 13.071 39.996 -3.946 1.00 0.66 C ATOM 762 CD1 PHE A 49 11.947 40.793 -4.089 1.00 1.11 C ATOM 763 CD2 PHE A 49 14.314 40.583 -4.085 1.00 1.89 C ATOM 764 CE1 PHE A 49 12.062 42.140 -4.365 1.00 1.38 C ATOM 765 CE2 PHE A 49 14.436 41.933 -4.359 1.00 2.37 C ATOM 766 CZ PHE A 49 13.306 42.713 -4.500 1.00 1.78 C ATOM 0 H PHE A 49 10.368 38.238 -4.328 1.00 0.84 H new ATOM 0 HA PHE A 49 12.958 37.663 -5.725 1.00 0.46 H new ATOM 0 HB2 PHE A 49 12.302 38.369 -2.750 1.00 0.67 H new ATOM 0 HB3 PHE A 49 13.928 38.105 -3.346 1.00 0.67 H new ATOM 0 HD1 PHE A 49 10.966 40.354 -3.983 1.00 1.11 H new ATOM 0 HD2 PHE A 49 15.203 39.979 -3.978 1.00 1.89 H new ATOM 0 HE1 PHE A 49 11.175 42.746 -4.475 1.00 1.38 H new ATOM 0 HE2 PHE A 49 15.415 42.377 -4.463 1.00 2.37 H new ATOM 0 HZ PHE A 49 13.398 43.767 -4.715 1.00 1.78 H new ATOM 776 N LYS A 50 12.717 35.804 -3.195 1.00 1.17 N ATOM 777 CA LYS A 50 12.793 34.377 -2.756 1.00 1.55 C ATOM 778 C LYS A 50 11.484 33.556 -2.843 1.00 1.29 C ATOM 779 O LYS A 50 11.363 32.545 -2.181 1.00 1.64 O ATOM 780 CB LYS A 50 13.394 34.374 -1.319 1.00 2.52 C ATOM 781 CG LYS A 50 14.949 34.482 -1.368 1.00 3.36 C ATOM 782 CD LYS A 50 15.546 33.097 -1.802 1.00 4.74 C ATOM 783 CE LYS A 50 17.070 33.169 -1.949 1.00 5.89 C ATOM 784 NZ LYS A 50 17.589 31.802 -2.268 1.00 7.05 N ATOM 0 H LYS A 50 12.908 36.491 -2.466 1.00 1.17 H new ATOM 0 HA LYS A 50 13.429 33.852 -3.469 1.00 1.55 H new ATOM 0 HB2 LYS A 50 12.985 35.207 -0.747 1.00 2.52 H new ATOM 0 HB3 LYS A 50 13.105 33.460 -0.801 1.00 2.52 H new ATOM 0 HG2 LYS A 50 15.250 35.258 -2.071 1.00 3.36 H new ATOM 0 HG3 LYS A 50 15.337 34.769 -0.391 1.00 3.36 H new ATOM 0 HD2 LYS A 50 15.285 32.339 -1.064 1.00 4.74 H new ATOM 0 HD3 LYS A 50 15.101 32.787 -2.748 1.00 4.74 H new ATOM 0 HE2 LYS A 50 17.340 33.869 -2.739 1.00 5.89 H new ATOM 0 HE3 LYS A 50 17.521 33.538 -1.028 1.00 5.89 H new ATOM 0 HZ1 LYS A 50 18.519 31.882 -2.727 1.00 7.05 H new ATOM 0 HZ2 LYS A 50 17.682 31.252 -1.390 1.00 7.05 H new ATOM 0 HZ3 LYS A 50 16.927 31.320 -2.909 1.00 7.05 H new ATOM 798 N GLY A 51 10.539 33.953 -3.656 1.00 1.03 N ATOM 799 CA GLY A 51 9.256 33.174 -3.768 1.00 1.40 C ATOM 800 C GLY A 51 9.620 32.463 -5.037 1.00 1.38 C ATOM 801 O GLY A 51 9.864 31.274 -5.065 1.00 1.36 O ATOM 0 H GLY A 51 10.594 34.781 -4.249 1.00 1.03 H new ATOM 0 HA2 GLY A 51 9.081 32.502 -2.928 1.00 1.40 H new ATOM 0 HA3 GLY A 51 8.372 33.804 -3.861 1.00 1.40 H new ATOM 805 N LYS A 52 9.653 33.266 -6.059 1.00 1.52 N ATOM 806 CA LYS A 52 9.999 32.879 -7.429 1.00 1.79 C ATOM 807 C LYS A 52 11.217 31.947 -7.376 1.00 1.36 C ATOM 808 O LYS A 52 11.294 31.011 -8.140 1.00 1.31 O ATOM 809 CB LYS A 52 10.245 34.249 -8.028 1.00 2.21 C ATOM 810 CG LYS A 52 8.954 34.708 -8.787 1.00 3.87 C ATOM 811 CD LYS A 52 7.650 34.718 -7.908 1.00 5.39 C ATOM 812 CE LYS A 52 6.340 34.886 -8.728 1.00 7.28 C ATOM 813 NZ LYS A 52 6.483 35.985 -9.733 1.00 7.06 N ATOM 0 H LYS A 52 9.432 34.258 -5.975 1.00 1.52 H new ATOM 0 HA LYS A 52 9.271 32.312 -8.010 1.00 1.79 H new ATOM 0 HB2 LYS A 52 10.496 34.964 -7.244 1.00 2.21 H new ATOM 0 HB3 LYS A 52 11.093 34.215 -8.712 1.00 2.21 H new ATOM 0 HG2 LYS A 52 9.118 35.710 -9.183 1.00 3.87 H new ATOM 0 HG3 LYS A 52 8.796 34.049 -9.641 1.00 3.87 H new ATOM 0 HD2 LYS A 52 7.597 33.787 -7.343 1.00 5.39 H new ATOM 0 HD3 LYS A 52 7.719 35.528 -7.182 1.00 5.39 H new ATOM 0 HE2 LYS A 52 6.100 33.951 -9.235 1.00 7.28 H new ATOM 0 HE3 LYS A 52 5.510 35.106 -8.056 1.00 7.28 H new ATOM 0 HZ1 LYS A 52 5.905 36.799 -9.442 1.00 7.06 H new ATOM 0 HZ2 LYS A 52 7.481 36.272 -9.794 1.00 7.06 H new ATOM 0 HZ3 LYS A 52 6.163 35.648 -10.663 1.00 7.06 H new ATOM 827 N ALA A 53 12.158 32.230 -6.506 1.00 1.08 N ATOM 828 CA ALA A 53 13.368 31.330 -6.397 1.00 0.82 C ATOM 829 C ALA A 53 12.881 29.858 -6.519 1.00 0.59 C ATOM 830 O ALA A 53 13.384 29.098 -7.320 1.00 0.58 O ATOM 831 CB ALA A 53 14.054 31.619 -5.082 1.00 0.47 C ATOM 0 H ALA A 53 12.149 33.030 -5.873 1.00 1.08 H new ATOM 0 HA ALA A 53 14.095 31.506 -7.190 1.00 0.82 H new ATOM 0 HB1 ALA A 53 14.931 30.980 -4.981 1.00 0.47 H new ATOM 0 HB2 ALA A 53 14.361 32.664 -5.054 1.00 0.47 H new ATOM 0 HB3 ALA A 53 13.365 31.421 -4.261 1.00 0.47 H new ATOM 837 N LYS A 54 11.898 29.489 -5.722 1.00 0.46 N ATOM 838 CA LYS A 54 11.325 28.094 -5.767 1.00 0.37 C ATOM 839 C LYS A 54 11.140 27.685 -7.224 1.00 0.43 C ATOM 840 O LYS A 54 11.552 26.635 -7.673 1.00 0.42 O ATOM 841 CB LYS A 54 9.871 28.083 -5.153 1.00 0.49 C ATOM 842 CG LYS A 54 9.832 27.931 -3.615 1.00 0.57 C ATOM 843 CD LYS A 54 10.284 29.229 -2.928 1.00 0.86 C ATOM 844 CE LYS A 54 10.240 29.051 -1.424 1.00 0.71 C ATOM 845 NZ LYS A 54 10.604 30.355 -0.787 1.00 1.26 N ATOM 0 H LYS A 54 11.462 30.102 -5.033 1.00 0.46 H new ATOM 0 HA LYS A 54 11.999 27.434 -5.221 1.00 0.37 H new ATOM 0 HB2 LYS A 54 9.366 29.009 -5.428 1.00 0.49 H new ATOM 0 HB3 LYS A 54 9.306 27.266 -5.602 1.00 0.49 H new ATOM 0 HG2 LYS A 54 8.821 27.678 -3.295 1.00 0.57 H new ATOM 0 HG3 LYS A 54 10.478 27.108 -3.310 1.00 0.57 H new ATOM 0 HD2 LYS A 54 11.295 29.487 -3.244 1.00 0.86 H new ATOM 0 HD3 LYS A 54 9.637 30.054 -3.226 1.00 0.86 H new ATOM 0 HE2 LYS A 54 9.245 28.738 -1.107 1.00 0.71 H new ATOM 0 HE3 LYS A 54 10.934 28.270 -1.113 1.00 0.71 H new ATOM 0 HZ1 LYS A 54 11.567 30.295 -0.398 1.00 1.26 H new ATOM 0 HZ2 LYS A 54 10.565 31.112 -1.499 1.00 1.26 H new ATOM 0 HZ3 LYS A 54 9.934 30.566 -0.020 1.00 1.26 H new ATOM 859 N TRP A 55 10.504 28.594 -7.911 1.00 0.53 N ATOM 860 CA TRP A 55 10.186 28.441 -9.338 1.00 0.61 C ATOM 861 C TRP A 55 11.404 28.078 -10.131 1.00 0.52 C ATOM 862 O TRP A 55 11.489 27.058 -10.780 1.00 0.43 O ATOM 863 CB TRP A 55 9.674 29.790 -9.867 1.00 0.74 C ATOM 864 CG TRP A 55 9.083 29.443 -11.192 1.00 0.83 C ATOM 865 CD1 TRP A 55 7.791 29.182 -11.293 1.00 0.89 C ATOM 866 CD2 TRP A 55 9.689 29.304 -12.384 1.00 0.90 C ATOM 867 NE1 TRP A 55 7.669 28.889 -12.566 1.00 0.98 N ATOM 868 CE2 TRP A 55 8.749 28.932 -13.297 1.00 0.99 C ATOM 869 CE3 TRP A 55 10.978 29.451 -12.808 1.00 0.91 C ATOM 870 CZ2 TRP A 55 9.053 28.697 -14.601 1.00 1.05 C ATOM 871 CZ3 TRP A 55 11.295 29.221 -14.118 1.00 1.01 C ATOM 872 CH2 TRP A 55 10.349 28.837 -15.029 1.00 1.06 C ATOM 0 H TRP A 55 10.182 29.475 -7.510 1.00 0.53 H new ATOM 0 HA TRP A 55 9.442 27.651 -9.442 1.00 0.61 H new ATOM 0 HB2 TRP A 55 8.932 30.228 -9.199 1.00 0.74 H new ATOM 0 HB3 TRP A 55 10.482 30.515 -9.965 1.00 0.74 H new ATOM 0 HD1 TRP A 55 7.032 29.204 -10.525 1.00 0.89 H new ATOM 0 HE1 TRP A 55 6.766 28.638 -12.968 1.00 0.98 H new ATOM 0 HE3 TRP A 55 11.746 29.749 -12.110 1.00 0.91 H new ATOM 0 HZ2 TRP A 55 8.280 28.402 -15.295 1.00 1.05 H new ATOM 0 HZ3 TRP A 55 12.318 29.346 -14.442 1.00 1.01 H new ATOM 0 HH2 TRP A 55 10.616 28.649 -16.059 1.00 1.06 H new ATOM 883 N ASP A 56 12.323 28.976 -10.025 1.00 0.56 N ATOM 884 CA ASP A 56 13.590 28.764 -10.760 1.00 0.55 C ATOM 885 C ASP A 56 14.231 27.449 -10.299 1.00 0.45 C ATOM 886 O ASP A 56 14.652 26.686 -11.143 1.00 0.37 O ATOM 887 CB ASP A 56 14.408 30.034 -10.692 1.00 0.63 C ATOM 888 CG ASP A 56 14.303 30.876 -11.942 1.00 0.63 C ATOM 889 OD1 ASP A 56 14.212 30.328 -13.023 1.00 1.59 O ATOM 890 OD2 ASP A 56 14.324 32.078 -11.794 1.00 0.82 O ATOM 0 H ASP A 56 12.260 29.832 -9.475 1.00 0.56 H new ATOM 0 HA ASP A 56 13.459 28.604 -11.830 1.00 0.55 H new ATOM 0 HB2 ASP A 56 14.081 30.624 -9.836 1.00 0.63 H new ATOM 0 HB3 ASP A 56 15.453 29.777 -10.522 1.00 0.63 H new ATOM 895 N ALA A 57 14.312 27.185 -9.017 1.00 0.46 N ATOM 896 CA ALA A 57 14.918 25.905 -8.575 1.00 0.34 C ATOM 897 C ALA A 57 14.235 24.744 -9.331 1.00 0.24 C ATOM 898 O ALA A 57 14.880 23.821 -9.769 1.00 0.23 O ATOM 899 CB ALA A 57 14.707 25.813 -7.105 1.00 0.30 C ATOM 0 H ALA A 57 13.986 27.798 -8.270 1.00 0.46 H new ATOM 0 HA ALA A 57 15.985 25.852 -8.791 1.00 0.34 H new ATOM 0 HB1 ALA A 57 15.138 24.883 -6.733 1.00 0.30 H new ATOM 0 HB2 ALA A 57 15.189 26.658 -6.615 1.00 0.30 H new ATOM 0 HB3 ALA A 57 13.639 25.830 -6.889 1.00 0.30 H new ATOM 905 N TRP A 58 12.935 24.797 -9.447 1.00 0.21 N ATOM 906 CA TRP A 58 12.186 23.723 -10.183 1.00 0.14 C ATOM 907 C TRP A 58 12.579 23.823 -11.655 1.00 0.08 C ATOM 908 O TRP A 58 12.976 22.852 -12.264 1.00 0.07 O ATOM 909 CB TRP A 58 10.697 23.937 -9.984 1.00 0.16 C ATOM 910 CG TRP A 58 9.887 22.925 -10.826 1.00 0.13 C ATOM 911 CD1 TRP A 58 10.332 21.829 -11.535 1.00 0.08 C ATOM 912 CD2 TRP A 58 8.558 23.030 -10.977 1.00 0.23 C ATOM 913 NE1 TRP A 58 9.194 21.376 -12.058 1.00 0.18 N ATOM 914 CE2 TRP A 58 8.091 22.031 -11.780 1.00 0.25 C ATOM 915 CE3 TRP A 58 7.691 23.950 -10.445 1.00 0.32 C ATOM 916 CZ2 TRP A 58 6.753 21.933 -12.082 1.00 0.37 C ATOM 917 CZ3 TRP A 58 6.352 23.865 -10.730 1.00 0.43 C ATOM 918 CH2 TRP A 58 5.878 22.862 -11.550 1.00 0.45 C ATOM 0 H TRP A 58 12.352 25.540 -9.063 1.00 0.21 H new ATOM 0 HA TRP A 58 12.429 22.727 -9.812 1.00 0.14 H new ATOM 0 HB2 TRP A 58 10.445 23.825 -8.929 1.00 0.16 H new ATOM 0 HB3 TRP A 58 10.428 24.954 -10.270 1.00 0.16 H new ATOM 0 HD1 TRP A 58 11.335 21.442 -11.638 1.00 0.08 H new ATOM 0 HE1 TRP A 58 9.180 20.548 -12.654 1.00 0.18 H new ATOM 0 HE3 TRP A 58 8.061 24.737 -9.805 1.00 0.32 H new ATOM 0 HZ2 TRP A 58 6.392 21.143 -12.724 1.00 0.37 H new ATOM 0 HZ3 TRP A 58 5.666 24.586 -10.311 1.00 0.43 H new ATOM 0 HH2 TRP A 58 4.824 22.802 -11.776 1.00 0.45 H new ATOM 929 N ASN A 59 12.449 24.978 -12.224 1.00 0.10 N ATOM 930 CA ASN A 59 12.809 25.218 -13.652 1.00 0.13 C ATOM 931 C ASN A 59 14.157 24.503 -13.964 1.00 0.20 C ATOM 932 O ASN A 59 14.260 23.766 -14.920 1.00 0.24 O ATOM 933 CB ASN A 59 12.923 26.687 -13.697 1.00 0.21 C ATOM 934 CG ASN A 59 13.242 27.272 -15.032 1.00 0.38 C ATOM 935 OD1 ASN A 59 12.720 26.961 -16.083 1.00 0.70 O ATOM 936 ND2 ASN A 59 14.146 28.179 -14.929 1.00 0.40 N ATOM 0 H ASN A 59 12.094 25.804 -11.743 1.00 0.10 H new ATOM 0 HA ASN A 59 12.099 24.837 -14.386 1.00 0.13 H new ATOM 0 HB2 ASN A 59 11.984 27.116 -13.348 1.00 0.21 H new ATOM 0 HB3 ASN A 59 13.696 26.995 -12.992 1.00 0.21 H new ATOM 0 HD21 ASN A 59 14.461 28.681 -15.759 1.00 0.40 H new ATOM 0 HD22 ASN A 59 14.548 28.397 -14.017 1.00 0.40 H new ATOM 943 N GLU A 60 15.107 24.779 -13.106 1.00 0.28 N ATOM 944 CA GLU A 60 16.506 24.239 -13.141 1.00 0.43 C ATOM 945 C GLU A 60 16.511 22.734 -13.457 1.00 0.47 C ATOM 946 O GLU A 60 17.393 22.176 -14.078 1.00 0.59 O ATOM 947 CB GLU A 60 17.102 24.538 -11.738 1.00 0.53 C ATOM 948 CG GLU A 60 18.635 24.275 -11.650 1.00 0.60 C ATOM 949 CD GLU A 60 19.495 25.273 -12.432 1.00 1.07 C ATOM 950 OE1 GLU A 60 19.400 25.249 -13.646 1.00 2.25 O ATOM 951 OE2 GLU A 60 20.205 26.002 -11.760 1.00 1.63 O ATOM 0 H GLU A 60 14.953 25.409 -12.319 1.00 0.28 H new ATOM 0 HA GLU A 60 17.101 24.704 -13.927 1.00 0.43 H new ATOM 0 HB2 GLU A 60 16.904 25.579 -11.481 1.00 0.53 H new ATOM 0 HB3 GLU A 60 16.592 23.924 -10.996 1.00 0.53 H new ATOM 0 HG2 GLU A 60 18.936 24.298 -10.603 1.00 0.60 H new ATOM 0 HG3 GLU A 60 18.841 23.270 -12.019 1.00 0.60 H new ATOM 958 N LEU A 61 15.472 22.112 -12.993 1.00 0.38 N ATOM 959 CA LEU A 61 15.262 20.658 -13.177 1.00 0.41 C ATOM 960 C LEU A 61 14.603 20.243 -14.465 1.00 0.44 C ATOM 961 O LEU A 61 15.067 19.338 -15.132 1.00 0.64 O ATOM 962 CB LEU A 61 14.335 20.254 -12.135 1.00 0.32 C ATOM 963 CG LEU A 61 14.829 20.730 -10.803 1.00 0.30 C ATOM 964 CD1 LEU A 61 13.926 20.113 -9.901 1.00 0.24 C ATOM 965 CD2 LEU A 61 16.233 20.292 -10.546 1.00 0.38 C ATOM 0 H LEU A 61 14.728 22.574 -12.471 1.00 0.38 H new ATOM 0 HA LEU A 61 16.253 20.204 -13.162 1.00 0.41 H new ATOM 0 HB2 LEU A 61 13.346 20.667 -12.335 1.00 0.32 H new ATOM 0 HB3 LEU A 61 14.232 19.169 -12.128 1.00 0.32 H new ATOM 0 HG LEU A 61 14.856 21.816 -10.719 1.00 0.30 H new ATOM 0 HD11 LEU A 61 14.187 20.389 -8.879 1.00 0.24 H new ATOM 0 HD12 LEU A 61 12.911 20.445 -10.118 1.00 0.24 H new ATOM 0 HD13 LEU A 61 13.985 19.030 -10.011 1.00 0.24 H new ATOM 0 HD21 LEU A 61 16.555 20.657 -9.571 1.00 0.38 H new ATOM 0 HD22 LEU A 61 16.283 19.203 -10.561 1.00 0.38 H new ATOM 0 HD23 LEU A 61 16.887 20.696 -11.319 1.00 0.38 H new ATOM 977 N LYS A 62 13.540 20.967 -14.715 1.00 0.36 N ATOM 978 CA LYS A 62 12.663 20.794 -15.905 1.00 0.36 C ATOM 979 C LYS A 62 13.311 19.897 -16.980 1.00 0.44 C ATOM 980 O LYS A 62 13.885 20.297 -17.975 1.00 0.45 O ATOM 981 CB LYS A 62 12.228 22.155 -16.386 1.00 0.32 C ATOM 982 CG LYS A 62 11.308 21.878 -17.587 1.00 0.34 C ATOM 983 CD LYS A 62 11.794 22.706 -18.818 1.00 0.34 C ATOM 984 CE LYS A 62 11.405 24.177 -18.587 1.00 2.00 C ATOM 985 NZ LYS A 62 12.016 25.067 -19.637 1.00 3.16 N ATOM 0 H LYS A 62 13.231 21.718 -14.097 1.00 0.36 H new ATOM 0 HA LYS A 62 11.760 20.246 -15.634 1.00 0.36 H new ATOM 0 HB2 LYS A 62 11.701 22.700 -15.603 1.00 0.32 H new ATOM 0 HB3 LYS A 62 13.085 22.763 -16.677 1.00 0.32 H new ATOM 0 HG2 LYS A 62 11.314 20.814 -17.826 1.00 0.34 H new ATOM 0 HG3 LYS A 62 10.280 22.143 -17.340 1.00 0.34 H new ATOM 0 HD2 LYS A 62 12.873 22.612 -18.938 1.00 0.34 H new ATOM 0 HD3 LYS A 62 11.337 22.331 -19.734 1.00 0.34 H new ATOM 0 HE2 LYS A 62 10.320 24.277 -18.606 1.00 2.00 H new ATOM 0 HE3 LYS A 62 11.737 24.494 -17.598 1.00 2.00 H new ATOM 0 HZ1 LYS A 62 11.739 26.054 -19.460 1.00 3.16 H new ATOM 0 HZ2 LYS A 62 13.052 24.986 -19.600 1.00 3.16 H new ATOM 0 HZ3 LYS A 62 11.679 24.777 -20.577 1.00 3.16 H new ATOM 999 N GLY A 63 13.119 18.664 -16.640 1.00 0.53 N ATOM 1000 CA GLY A 63 13.605 17.479 -17.405 1.00 0.65 C ATOM 1001 C GLY A 63 14.528 16.545 -16.587 1.00 0.78 C ATOM 1002 O GLY A 63 15.254 15.780 -17.192 1.00 1.02 O ATOM 0 H GLY A 63 12.605 18.406 -15.797 1.00 0.53 H new ATOM 0 HA2 GLY A 63 12.746 16.908 -17.757 1.00 0.65 H new ATOM 0 HA3 GLY A 63 14.143 17.824 -18.288 1.00 0.65 H new ATOM 1006 N THR A 64 14.531 16.571 -15.268 1.00 0.65 N ATOM 1007 CA THR A 64 15.420 15.651 -14.509 1.00 0.78 C ATOM 1008 C THR A 64 14.694 14.307 -14.405 1.00 0.87 C ATOM 1009 O THR A 64 13.482 14.235 -14.290 1.00 0.91 O ATOM 1010 CB THR A 64 15.565 16.229 -13.065 1.00 0.74 C ATOM 1011 OG1 THR A 64 16.952 16.461 -12.892 1.00 0.79 O ATOM 1012 CG2 THR A 64 15.241 15.200 -11.946 1.00 0.77 C ATOM 0 H THR A 64 13.956 17.190 -14.696 1.00 0.65 H new ATOM 0 HA THR A 64 16.393 15.541 -14.988 1.00 0.78 H new ATOM 0 HB THR A 64 14.896 17.086 -12.984 1.00 0.74 H new ATOM 0 HG1 THR A 64 17.113 16.829 -11.998 1.00 0.79 H new ATOM 0 HG21 THR A 64 15.363 15.672 -10.971 1.00 0.77 H new ATOM 0 HG22 THR A 64 14.213 14.855 -12.056 1.00 0.77 H new ATOM 0 HG23 THR A 64 15.919 14.351 -12.025 1.00 0.77 H new ATOM 1020 N SER A 65 15.457 13.254 -14.439 1.00 0.98 N ATOM 1021 CA SER A 65 14.905 11.868 -14.337 1.00 1.21 C ATOM 1022 C SER A 65 13.829 11.749 -13.226 1.00 1.01 C ATOM 1023 O SER A 65 14.193 11.560 -12.085 1.00 1.00 O ATOM 1024 CB SER A 65 16.106 10.939 -14.004 1.00 1.58 C ATOM 1025 OG SER A 65 17.078 11.332 -14.970 1.00 2.81 O ATOM 0 H SER A 65 16.472 13.293 -14.536 1.00 0.98 H new ATOM 0 HA SER A 65 14.419 11.594 -15.273 1.00 1.21 H new ATOM 0 HB2 SER A 65 16.464 11.088 -12.985 1.00 1.58 H new ATOM 0 HB3 SER A 65 15.843 9.886 -14.099 1.00 1.58 H new ATOM 0 HG SER A 65 17.893 10.801 -14.849 1.00 2.81 H new ATOM 1031 N LYS A 66 12.557 11.900 -13.548 1.00 0.97 N ATOM 1032 CA LYS A 66 11.405 11.791 -12.551 1.00 0.87 C ATOM 1033 C LYS A 66 11.700 11.089 -11.188 1.00 0.76 C ATOM 1034 O LYS A 66 11.294 11.501 -10.116 1.00 0.63 O ATOM 1035 CB LYS A 66 10.303 10.965 -13.283 1.00 1.04 C ATOM 1036 CG LYS A 66 9.271 11.835 -14.092 1.00 1.28 C ATOM 1037 CD LYS A 66 8.188 12.377 -13.101 1.00 1.12 C ATOM 1038 CE LYS A 66 6.878 12.805 -13.817 1.00 1.20 C ATOM 1039 NZ LYS A 66 5.754 12.764 -12.811 1.00 1.50 N ATOM 0 H LYS A 66 12.249 12.103 -14.499 1.00 0.97 H new ATOM 0 HA LYS A 66 11.139 12.810 -12.271 1.00 0.87 H new ATOM 0 HB2 LYS A 66 10.784 10.265 -13.966 1.00 1.04 H new ATOM 0 HB3 LYS A 66 9.761 10.371 -12.547 1.00 1.04 H new ATOM 0 HG2 LYS A 66 9.780 12.663 -14.586 1.00 1.28 H new ATOM 0 HG3 LYS A 66 8.803 11.237 -14.874 1.00 1.28 H new ATOM 0 HD2 LYS A 66 7.959 11.608 -12.364 1.00 1.12 H new ATOM 0 HD3 LYS A 66 8.594 13.229 -12.556 1.00 1.12 H new ATOM 0 HE2 LYS A 66 6.981 13.808 -14.230 1.00 1.20 H new ATOM 0 HE3 LYS A 66 6.665 12.137 -14.652 1.00 1.20 H new ATOM 0 HZ1 LYS A 66 5.036 12.079 -13.121 1.00 1.50 H new ATOM 0 HZ2 LYS A 66 6.128 12.478 -11.884 1.00 1.50 H new ATOM 0 HZ3 LYS A 66 5.322 13.707 -12.734 1.00 1.50 H new ATOM 1053 N GLU A 67 12.429 10.030 -11.334 1.00 0.81 N ATOM 1054 CA GLU A 67 12.871 9.142 -10.233 1.00 0.78 C ATOM 1055 C GLU A 67 13.770 9.874 -9.310 1.00 0.59 C ATOM 1056 O GLU A 67 13.529 9.965 -8.125 1.00 0.37 O ATOM 1057 CB GLU A 67 13.703 8.039 -10.918 1.00 1.21 C ATOM 1058 CG GLU A 67 13.242 6.631 -10.544 1.00 1.89 C ATOM 1059 CD GLU A 67 14.311 5.650 -11.015 1.00 3.26 C ATOM 1060 OE1 GLU A 67 15.400 5.799 -10.473 1.00 4.28 O ATOM 1061 OE2 GLU A 67 13.980 4.846 -11.862 1.00 3.57 O ATOM 0 H GLU A 67 12.762 9.722 -12.248 1.00 0.81 H new ATOM 0 HA GLU A 67 12.020 8.763 -9.667 1.00 0.78 H new ATOM 0 HB2 GLU A 67 13.640 8.162 -11.999 1.00 1.21 H new ATOM 0 HB3 GLU A 67 14.751 8.158 -10.644 1.00 1.21 H new ATOM 0 HG2 GLU A 67 13.097 6.550 -9.467 1.00 1.89 H new ATOM 0 HG3 GLU A 67 12.284 6.406 -11.012 1.00 1.89 H new ATOM 1068 N ASP A 68 14.806 10.374 -9.911 1.00 0.76 N ATOM 1069 CA ASP A 68 15.810 11.135 -9.182 1.00 0.74 C ATOM 1070 C ASP A 68 15.147 12.209 -8.389 1.00 0.50 C ATOM 1071 O ASP A 68 15.465 12.456 -7.245 1.00 0.53 O ATOM 1072 CB ASP A 68 16.797 11.519 -10.212 1.00 0.92 C ATOM 1073 CG ASP A 68 17.531 10.215 -10.443 1.00 1.35 C ATOM 1074 OD1 ASP A 68 17.020 9.406 -11.202 1.00 0.96 O ATOM 1075 OD2 ASP A 68 18.543 10.117 -9.786 1.00 2.51 O ATOM 0 H ASP A 68 14.991 10.275 -10.909 1.00 0.76 H new ATOM 0 HA ASP A 68 16.355 10.600 -8.404 1.00 0.74 H new ATOM 0 HB2 ASP A 68 16.318 11.885 -11.120 1.00 0.92 H new ATOM 0 HB3 ASP A 68 17.465 12.307 -9.864 1.00 0.92 H new ATOM 1080 N ALA A 69 14.219 12.808 -9.061 1.00 0.37 N ATOM 1081 CA ALA A 69 13.443 13.894 -8.420 1.00 0.19 C ATOM 1082 C ALA A 69 12.870 13.296 -7.096 1.00 0.13 C ATOM 1083 O ALA A 69 13.156 13.858 -6.059 1.00 0.14 O ATOM 1084 CB ALA A 69 12.425 14.376 -9.423 1.00 0.25 C ATOM 0 H ALA A 69 13.962 12.595 -10.025 1.00 0.37 H new ATOM 0 HA ALA A 69 14.017 14.778 -8.143 1.00 0.19 H new ATOM 0 HB1 ALA A 69 11.833 15.179 -8.984 1.00 0.25 H new ATOM 0 HB2 ALA A 69 12.937 14.747 -10.311 1.00 0.25 H new ATOM 0 HB3 ALA A 69 11.768 13.551 -9.700 1.00 0.25 H new ATOM 1090 N MET A 70 12.128 12.204 -7.124 1.00 0.16 N ATOM 1091 CA MET A 70 11.581 11.612 -5.887 1.00 0.13 C ATOM 1092 C MET A 70 12.691 11.182 -4.935 1.00 0.18 C ATOM 1093 O MET A 70 12.777 11.646 -3.821 1.00 0.19 O ATOM 1094 CB MET A 70 10.794 10.356 -6.305 1.00 0.22 C ATOM 1095 CG MET A 70 9.465 10.745 -6.957 1.00 0.24 C ATOM 1096 SD MET A 70 8.125 9.529 -7.008 1.00 0.35 S ATOM 1097 CE MET A 70 6.737 10.671 -7.262 1.00 0.22 C ATOM 0 H MET A 70 11.884 11.701 -7.977 1.00 0.16 H new ATOM 0 HA MET A 70 10.960 12.348 -5.375 1.00 0.13 H new ATOM 0 HB2 MET A 70 11.387 9.764 -7.002 1.00 0.22 H new ATOM 0 HB3 MET A 70 10.608 9.730 -5.432 1.00 0.22 H new ATOM 0 HG2 MET A 70 9.090 11.627 -6.438 1.00 0.24 H new ATOM 0 HG3 MET A 70 9.677 11.045 -7.983 1.00 0.24 H new ATOM 0 HE1 MET A 70 5.991 10.201 -7.903 1.00 0.22 H new ATOM 0 HE2 MET A 70 6.286 10.916 -6.300 1.00 0.22 H new ATOM 0 HE3 MET A 70 7.099 11.584 -7.736 1.00 0.22 H new ATOM 1107 N LYS A 71 13.511 10.290 -5.406 1.00 0.28 N ATOM 1108 CA LYS A 71 14.654 9.770 -4.600 1.00 0.37 C ATOM 1109 C LYS A 71 15.293 10.956 -3.837 1.00 0.41 C ATOM 1110 O LYS A 71 15.219 11.041 -2.629 1.00 0.43 O ATOM 1111 CB LYS A 71 15.653 9.099 -5.577 1.00 0.47 C ATOM 1112 CG LYS A 71 15.050 7.834 -6.268 1.00 0.41 C ATOM 1113 CD LYS A 71 16.203 6.955 -6.857 1.00 0.52 C ATOM 1114 CE LYS A 71 17.029 7.667 -7.950 1.00 0.96 C ATOM 1115 NZ LYS A 71 16.205 7.814 -9.185 1.00 1.50 N ATOM 0 H LYS A 71 13.437 9.887 -6.340 1.00 0.28 H new ATOM 0 HA LYS A 71 14.338 9.030 -3.865 1.00 0.37 H new ATOM 0 HB2 LYS A 71 15.951 9.819 -6.339 1.00 0.47 H new ATOM 0 HB3 LYS A 71 16.555 8.818 -5.034 1.00 0.47 H new ATOM 0 HG2 LYS A 71 14.470 7.256 -5.548 1.00 0.41 H new ATOM 0 HG3 LYS A 71 14.366 8.133 -7.062 1.00 0.41 H new ATOM 0 HD2 LYS A 71 16.869 6.655 -6.048 1.00 0.52 H new ATOM 0 HD3 LYS A 71 15.776 6.042 -7.273 1.00 0.52 H new ATOM 0 HE2 LYS A 71 17.350 8.647 -7.597 1.00 0.96 H new ATOM 0 HE3 LYS A 71 17.931 7.095 -8.169 1.00 0.96 H new ATOM 0 HZ1 LYS A 71 16.797 8.185 -9.955 1.00 1.50 H new ATOM 0 HZ2 LYS A 71 15.821 6.887 -9.459 1.00 1.50 H new ATOM 0 HZ3 LYS A 71 15.421 8.473 -9.003 1.00 1.50 H new ATOM 1129 N ALA A 72 15.880 11.835 -4.609 1.00 0.45 N ATOM 1130 CA ALA A 72 16.551 13.048 -4.076 1.00 0.50 C ATOM 1131 C ALA A 72 15.638 13.746 -3.055 1.00 0.45 C ATOM 1132 O ALA A 72 16.020 13.953 -1.923 1.00 0.55 O ATOM 1133 CB ALA A 72 16.817 13.930 -5.300 1.00 0.49 C ATOM 0 H ALA A 72 15.920 11.753 -5.625 1.00 0.45 H new ATOM 0 HA ALA A 72 17.479 12.821 -3.551 1.00 0.50 H new ATOM 0 HB1 ALA A 72 17.313 14.848 -4.986 1.00 0.49 H new ATOM 0 HB2 ALA A 72 17.456 13.395 -6.002 1.00 0.49 H new ATOM 0 HB3 ALA A 72 15.872 14.175 -5.784 1.00 0.49 H new ATOM 1139 N TYR A 73 14.456 14.082 -3.501 1.00 0.32 N ATOM 1140 CA TYR A 73 13.447 14.765 -2.633 1.00 0.33 C ATOM 1141 C TYR A 73 13.326 14.141 -1.245 1.00 0.46 C ATOM 1142 O TYR A 73 13.231 14.845 -0.266 1.00 0.76 O ATOM 1143 CB TYR A 73 12.134 14.583 -3.380 1.00 0.34 C ATOM 1144 CG TYR A 73 10.984 15.406 -2.824 1.00 0.38 C ATOM 1145 CD1 TYR A 73 10.968 16.745 -3.016 1.00 1.05 C ATOM 1146 CD2 TYR A 73 9.969 14.829 -2.113 1.00 0.76 C ATOM 1147 CE1 TYR A 73 9.952 17.502 -2.502 1.00 1.04 C ATOM 1148 CE2 TYR A 73 8.939 15.587 -1.582 1.00 0.82 C ATOM 1149 CZ TYR A 73 8.938 16.946 -1.782 1.00 0.46 C ATOM 1150 OH TYR A 73 7.962 17.794 -1.300 1.00 0.51 O ATOM 0 H TYR A 73 14.139 13.908 -4.455 1.00 0.32 H new ATOM 0 HA TYR A 73 13.729 15.804 -2.462 1.00 0.33 H new ATOM 0 HB2 TYR A 73 12.284 14.849 -4.426 1.00 0.34 H new ATOM 0 HB3 TYR A 73 11.857 13.529 -3.355 1.00 0.34 H new ATOM 0 HD1 TYR A 73 11.760 17.218 -3.577 1.00 1.05 H new ATOM 0 HD2 TYR A 73 9.970 13.760 -1.962 1.00 0.76 H new ATOM 0 HE1 TYR A 73 9.953 18.569 -2.671 1.00 1.04 H new ATOM 0 HE2 TYR A 73 8.147 15.116 -1.018 1.00 0.82 H new ATOM 0 HH TYR A 73 7.190 17.781 -1.904 1.00 0.51 H new ATOM 1160 N ILE A 74 13.342 12.840 -1.236 1.00 0.29 N ATOM 1161 CA ILE A 74 13.215 12.104 0.078 1.00 0.37 C ATOM 1162 C ILE A 74 14.554 12.056 0.750 1.00 0.47 C ATOM 1163 O ILE A 74 14.720 12.549 1.844 1.00 0.60 O ATOM 1164 CB ILE A 74 12.833 10.612 -0.081 1.00 0.51 C ATOM 1165 CG1 ILE A 74 11.774 10.349 -1.118 1.00 0.70 C ATOM 1166 CG2 ILE A 74 12.443 10.054 1.291 1.00 0.46 C ATOM 1167 CD1 ILE A 74 10.971 11.532 -1.484 1.00 3.04 C ATOM 0 H ILE A 74 13.436 12.249 -2.062 1.00 0.29 H new ATOM 0 HA ILE A 74 12.444 12.641 0.631 1.00 0.37 H new ATOM 0 HB ILE A 74 13.710 10.089 -0.463 1.00 0.51 H new ATOM 0 HG12 ILE A 74 12.252 9.957 -2.016 1.00 0.70 H new ATOM 0 HG13 ILE A 74 11.105 9.572 -0.748 1.00 0.70 H new ATOM 0 HG21 ILE A 74 12.172 9.003 1.193 1.00 0.46 H new ATOM 0 HG22 ILE A 74 13.286 10.148 1.975 1.00 0.46 H new ATOM 0 HG23 ILE A 74 11.593 10.613 1.683 1.00 0.46 H new ATOM 0 HD11 ILE A 74 10.233 11.252 -2.236 1.00 3.04 H new ATOM 0 HD12 ILE A 74 10.461 11.913 -0.599 1.00 3.04 H new ATOM 0 HD13 ILE A 74 11.625 12.305 -1.887 1.00 3.04 H new ATOM 1179 N ASP A 75 15.481 11.449 0.079 1.00 0.47 N ATOM 1180 CA ASP A 75 16.862 11.329 0.612 1.00 0.72 C ATOM 1181 C ASP A 75 17.339 12.669 1.232 1.00 0.88 C ATOM 1182 O ASP A 75 18.035 12.749 2.227 1.00 1.25 O ATOM 1183 CB ASP A 75 17.639 10.808 -0.592 1.00 0.75 C ATOM 1184 CG ASP A 75 17.452 9.296 -0.672 1.00 0.99 C ATOM 1185 OD1 ASP A 75 18.122 8.660 0.119 1.00 2.04 O ATOM 1186 OD2 ASP A 75 16.664 8.869 -1.498 1.00 0.61 O ATOM 0 H ASP A 75 15.340 11.021 -0.836 1.00 0.47 H new ATOM 0 HA ASP A 75 16.989 10.650 1.455 1.00 0.72 H new ATOM 0 HB2 ASP A 75 17.283 11.282 -1.507 1.00 0.75 H new ATOM 0 HB3 ASP A 75 18.696 11.054 -0.496 1.00 0.75 H new ATOM 1191 N LYS A 76 16.900 13.716 0.599 1.00 0.63 N ATOM 1192 CA LYS A 76 17.235 15.107 1.022 1.00 0.74 C ATOM 1193 C LYS A 76 16.289 15.534 2.142 1.00 0.76 C ATOM 1194 O LYS A 76 16.621 16.325 3.003 1.00 0.97 O ATOM 1195 CB LYS A 76 16.988 16.018 -0.159 1.00 0.86 C ATOM 1196 CG LYS A 76 17.706 17.379 0.101 1.00 1.73 C ATOM 1197 CD LYS A 76 19.244 17.181 -0.105 1.00 0.94 C ATOM 1198 CE LYS A 76 20.035 18.496 -0.255 1.00 1.55 C ATOM 1199 NZ LYS A 76 19.549 19.205 -1.486 1.00 2.79 N ATOM 0 H LYS A 76 16.301 13.666 -0.225 1.00 0.63 H new ATOM 0 HA LYS A 76 18.269 15.158 1.362 1.00 0.74 H new ATOM 0 HB2 LYS A 76 17.364 15.561 -1.074 1.00 0.86 H new ATOM 0 HB3 LYS A 76 15.918 16.175 -0.298 1.00 0.86 H new ATOM 0 HG2 LYS A 76 17.328 18.142 -0.580 1.00 1.73 H new ATOM 0 HG3 LYS A 76 17.502 17.727 1.114 1.00 1.73 H new ATOM 0 HD2 LYS A 76 19.644 16.624 0.742 1.00 0.94 H new ATOM 0 HD3 LYS A 76 19.405 16.570 -0.993 1.00 0.94 H new ATOM 0 HE2 LYS A 76 19.895 19.125 0.624 1.00 1.55 H new ATOM 0 HE3 LYS A 76 21.102 18.289 -0.333 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 20.322 19.268 -2.179 1.00 2.79 H new ATOM 0 HZ2 LYS A 76 18.755 18.676 -1.900 1.00 2.79 H new ATOM 0 HZ3 LYS A 76 19.233 20.163 -1.233 1.00 2.79 H new ATOM 1213 N VAL A 77 15.087 15.026 2.142 1.00 0.68 N ATOM 1214 CA VAL A 77 14.170 15.412 3.208 1.00 0.71 C ATOM 1215 C VAL A 77 14.886 14.925 4.438 1.00 0.65 C ATOM 1216 O VAL A 77 14.878 15.632 5.406 1.00 0.70 O ATOM 1217 CB VAL A 77 12.837 14.825 2.906 1.00 0.64 C ATOM 1218 CG1 VAL A 77 12.171 14.464 4.175 1.00 0.73 C ATOM 1219 CG2 VAL A 77 12.077 15.944 2.203 1.00 0.47 C ATOM 0 H VAL A 77 14.719 14.370 1.453 1.00 0.68 H new ATOM 0 HA VAL A 77 13.945 16.471 3.333 1.00 0.71 H new ATOM 0 HB VAL A 77 12.891 13.924 2.294 1.00 0.64 H new ATOM 0 HG11 VAL A 77 11.193 14.033 3.963 1.00 0.73 H new ATOM 0 HG12 VAL A 77 12.780 13.736 4.711 1.00 0.73 H new ATOM 0 HG13 VAL A 77 12.049 15.357 4.788 1.00 0.73 H new ATOM 0 HG21 VAL A 77 11.077 15.597 1.942 1.00 0.47 H new ATOM 0 HG22 VAL A 77 12.001 16.805 2.867 1.00 0.47 H new ATOM 0 HG23 VAL A 77 12.609 16.231 1.296 1.00 0.47 H new ATOM 1229 N GLU A 78 15.473 13.756 4.392 1.00 0.56 N ATOM 1230 CA GLU A 78 16.219 13.277 5.628 1.00 0.51 C ATOM 1231 C GLU A 78 17.113 14.499 6.037 1.00 0.41 C ATOM 1232 O GLU A 78 17.044 14.947 7.168 1.00 0.39 O ATOM 1233 CB GLU A 78 16.991 11.970 5.308 1.00 0.58 C ATOM 1234 CG GLU A 78 16.684 10.845 6.377 1.00 1.22 C ATOM 1235 CD GLU A 78 17.401 11.060 7.712 1.00 0.60 C ATOM 1236 OE1 GLU A 78 18.544 10.651 7.788 1.00 1.55 O ATOM 1237 OE2 GLU A 78 16.815 11.611 8.628 1.00 1.26 O ATOM 0 H GLU A 78 15.479 13.123 3.592 1.00 0.56 H new ATOM 0 HA GLU A 78 15.581 12.999 6.466 1.00 0.51 H new ATOM 0 HB2 GLU A 78 16.715 11.616 4.315 1.00 0.58 H new ATOM 0 HB3 GLU A 78 18.062 12.173 5.288 1.00 0.58 H new ATOM 0 HG2 GLU A 78 15.609 10.806 6.553 1.00 1.22 H new ATOM 0 HG3 GLU A 78 16.976 9.877 5.969 1.00 1.22 H new ATOM 1244 N GLU A 79 17.913 15.003 5.119 1.00 0.56 N ATOM 1245 CA GLU A 79 18.788 16.198 5.421 1.00 0.59 C ATOM 1246 C GLU A 79 17.923 17.222 6.198 1.00 0.50 C ATOM 1247 O GLU A 79 18.267 17.631 7.287 1.00 0.51 O ATOM 1248 CB GLU A 79 19.335 16.859 4.095 1.00 0.69 C ATOM 1249 CG GLU A 79 20.661 16.203 3.616 1.00 0.44 C ATOM 1250 CD GLU A 79 21.873 16.606 4.472 1.00 1.28 C ATOM 1251 OE1 GLU A 79 21.772 17.507 5.298 1.00 2.18 O ATOM 1252 OE2 GLU A 79 22.867 15.951 4.217 1.00 2.31 O ATOM 0 H GLU A 79 18.000 14.639 4.170 1.00 0.56 H new ATOM 0 HA GLU A 79 19.651 15.883 6.008 1.00 0.59 H new ATOM 0 HB2 GLU A 79 18.584 16.771 3.310 1.00 0.69 H new ATOM 0 HB3 GLU A 79 19.498 17.924 4.262 1.00 0.69 H new ATOM 0 HG2 GLU A 79 20.552 15.119 3.638 1.00 0.44 H new ATOM 0 HG3 GLU A 79 20.846 16.484 2.579 1.00 0.44 H new ATOM 1259 N LEU A 80 16.808 17.628 5.642 1.00 0.41 N ATOM 1260 CA LEU A 80 15.915 18.617 6.334 1.00 0.29 C ATOM 1261 C LEU A 80 15.398 18.144 7.690 1.00 0.19 C ATOM 1262 O LEU A 80 15.408 18.841 8.681 1.00 0.32 O ATOM 1263 CB LEU A 80 14.833 18.933 5.372 1.00 0.13 C ATOM 1264 CG LEU A 80 15.541 19.263 4.023 1.00 0.30 C ATOM 1265 CD1 LEU A 80 14.529 19.936 3.269 1.00 0.17 C ATOM 1266 CD2 LEU A 80 16.717 20.237 4.154 1.00 0.51 C ATOM 0 H LEU A 80 16.473 17.315 4.731 1.00 0.41 H new ATOM 0 HA LEU A 80 16.477 19.513 6.597 1.00 0.29 H new ATOM 0 HB2 LEU A 80 14.152 18.089 5.259 1.00 0.13 H new ATOM 0 HB3 LEU A 80 14.238 19.778 5.718 1.00 0.13 H new ATOM 0 HG LEU A 80 15.945 18.348 3.590 1.00 0.30 H new ATOM 0 HD11 LEU A 80 14.927 20.214 2.293 1.00 0.17 H new ATOM 0 HD12 LEU A 80 13.673 19.274 3.137 1.00 0.17 H new ATOM 0 HD13 LEU A 80 14.214 20.833 3.802 1.00 0.17 H new ATOM 0 HD21 LEU A 80 17.154 20.414 3.171 1.00 0.51 H new ATOM 0 HD22 LEU A 80 16.363 21.181 4.569 1.00 0.51 H new ATOM 0 HD23 LEU A 80 17.471 19.810 4.815 1.00 0.51 H new ATOM 1278 N LYS A 81 14.949 16.946 7.703 1.00 0.11 N ATOM 1279 CA LYS A 81 14.413 16.303 8.919 1.00 0.16 C ATOM 1280 C LYS A 81 15.543 16.252 9.966 1.00 0.26 C ATOM 1281 O LYS A 81 15.283 16.175 11.151 1.00 0.38 O ATOM 1282 CB LYS A 81 14.109 14.901 8.437 1.00 0.26 C ATOM 1283 CG LYS A 81 13.431 14.031 9.500 1.00 0.34 C ATOM 1284 CD LYS A 81 13.798 12.545 9.180 1.00 0.63 C ATOM 1285 CE LYS A 81 12.608 11.623 9.386 1.00 0.83 C ATOM 1286 NZ LYS A 81 11.614 11.996 8.338 1.00 0.81 N ATOM 0 H LYS A 81 14.928 16.347 6.877 1.00 0.11 H new ATOM 0 HA LYS A 81 13.554 16.806 9.363 1.00 0.16 H new ATOM 0 HB2 LYS A 81 13.466 14.957 7.559 1.00 0.26 H new ATOM 0 HB3 LYS A 81 15.037 14.423 8.123 1.00 0.26 H new ATOM 0 HG2 LYS A 81 13.773 14.306 10.498 1.00 0.34 H new ATOM 0 HG3 LYS A 81 12.350 14.173 9.482 1.00 0.34 H new ATOM 0 HD2 LYS A 81 14.145 12.468 8.150 1.00 0.63 H new ATOM 0 HD3 LYS A 81 14.622 12.226 9.819 1.00 0.63 H new ATOM 0 HE2 LYS A 81 12.903 10.578 9.290 1.00 0.83 H new ATOM 0 HE3 LYS A 81 12.187 11.745 10.384 1.00 0.83 H new ATOM 0 HZ1 LYS A 81 10.732 11.466 8.491 1.00 0.81 H new ATOM 0 HZ2 LYS A 81 11.419 13.016 8.392 1.00 0.81 H new ATOM 0 HZ3 LYS A 81 11.997 11.766 7.399 1.00 0.81 H new ATOM 1300 N LYS A 82 16.760 16.310 9.485 1.00 0.44 N ATOM 1301 CA LYS A 82 17.940 16.257 10.415 1.00 0.71 C ATOM 1302 C LYS A 82 18.441 17.648 10.803 1.00 0.92 C ATOM 1303 O LYS A 82 18.717 17.952 11.946 1.00 1.17 O ATOM 1304 CB LYS A 82 19.053 15.474 9.671 1.00 0.86 C ATOM 1305 CG LYS A 82 18.748 13.950 9.620 1.00 1.44 C ATOM 1306 CD LYS A 82 18.885 13.362 11.063 1.00 1.85 C ATOM 1307 CE LYS A 82 19.584 11.993 11.048 1.00 2.33 C ATOM 1308 NZ LYS A 82 18.656 11.000 10.447 1.00 3.10 N ATOM 0 H LYS A 82 16.991 16.391 8.495 1.00 0.44 H new ATOM 0 HA LYS A 82 17.652 15.771 11.347 1.00 0.71 H new ATOM 0 HB2 LYS A 82 19.153 15.859 8.656 1.00 0.86 H new ATOM 0 HB3 LYS A 82 20.008 15.637 10.170 1.00 0.86 H new ATOM 0 HG2 LYS A 82 17.742 13.779 9.236 1.00 1.44 H new ATOM 0 HG3 LYS A 82 19.438 13.449 8.941 1.00 1.44 H new ATOM 0 HD2 LYS A 82 19.451 14.054 11.687 1.00 1.85 H new ATOM 0 HD3 LYS A 82 17.897 13.263 11.512 1.00 1.85 H new ATOM 0 HE2 LYS A 82 20.508 12.045 10.473 1.00 2.33 H new ATOM 0 HE3 LYS A 82 19.855 11.694 12.061 1.00 2.33 H new ATOM 0 HZ1 LYS A 82 18.433 10.265 11.148 1.00 3.10 H new ATOM 0 HZ2 LYS A 82 17.779 11.477 10.154 1.00 3.10 H new ATOM 0 HZ3 LYS A 82 19.106 10.562 9.618 1.00 3.10 H new ATOM 1322 N LYS A 83 18.558 18.472 9.812 1.00 0.83 N ATOM 1323 CA LYS A 83 19.025 19.855 9.984 1.00 1.02 C ATOM 1324 C LYS A 83 17.962 20.752 10.586 1.00 1.04 C ATOM 1325 O LYS A 83 18.225 21.538 11.474 1.00 1.16 O ATOM 1326 CB LYS A 83 19.412 20.338 8.572 1.00 1.15 C ATOM 1327 CG LYS A 83 20.456 21.474 8.635 1.00 1.65 C ATOM 1328 CD LYS A 83 21.703 20.967 9.446 1.00 2.72 C ATOM 1329 CE LYS A 83 22.854 21.952 9.467 1.00 3.10 C ATOM 1330 NZ LYS A 83 23.907 21.328 10.340 1.00 5.23 N ATOM 0 H LYS A 83 18.337 18.226 8.847 1.00 0.83 H new ATOM 0 HA LYS A 83 19.864 19.894 10.679 1.00 1.02 H new ATOM 0 HB2 LYS A 83 19.813 19.504 7.997 1.00 1.15 H new ATOM 0 HB3 LYS A 83 18.522 20.687 8.048 1.00 1.15 H new ATOM 0 HG2 LYS A 83 20.754 21.770 7.629 1.00 1.65 H new ATOM 0 HG3 LYS A 83 20.027 22.355 9.112 1.00 1.65 H new ATOM 0 HD2 LYS A 83 21.398 20.756 10.471 1.00 2.72 H new ATOM 0 HD3 LYS A 83 22.048 20.027 9.016 1.00 2.72 H new ATOM 0 HE2 LYS A 83 23.235 22.131 8.461 1.00 3.10 H new ATOM 0 HE3 LYS A 83 22.537 22.916 9.864 1.00 3.10 H new ATOM 0 HZ1 LYS A 83 24.731 21.960 10.396 1.00 5.23 H new ATOM 0 HZ2 LYS A 83 23.522 21.176 11.294 1.00 5.23 H new ATOM 0 HZ3 LYS A 83 24.198 20.415 9.935 1.00 5.23 H new ATOM 1344 N TYR A 84 16.794 20.599 10.059 1.00 0.92 N ATOM 1345 CA TYR A 84 15.628 21.399 10.532 1.00 0.99 C ATOM 1346 C TYR A 84 14.797 20.676 11.588 1.00 0.95 C ATOM 1347 O TYR A 84 14.557 21.286 12.612 1.00 1.18 O ATOM 1348 CB TYR A 84 14.844 21.824 9.266 1.00 0.90 C ATOM 1349 CG TYR A 84 15.848 22.587 8.390 1.00 1.02 C ATOM 1350 CD1 TYR A 84 16.594 23.598 8.962 1.00 1.47 C ATOM 1351 CD2 TYR A 84 16.056 22.288 7.057 1.00 1.80 C ATOM 1352 CE1 TYR A 84 17.524 24.299 8.254 1.00 1.46 C ATOM 1353 CE2 TYR A 84 17.000 23.000 6.345 1.00 2.01 C ATOM 1354 CZ TYR A 84 17.735 24.007 6.936 1.00 1.36 C ATOM 1355 OH TYR A 84 18.664 24.700 6.199 1.00 1.56 O ATOM 0 H TYR A 84 16.585 19.944 9.306 1.00 0.92 H new ATOM 0 HA TYR A 84 15.954 22.290 11.068 1.00 0.99 H new ATOM 0 HB2 TYR A 84 14.448 20.955 8.741 1.00 0.90 H new ATOM 0 HB3 TYR A 84 13.993 22.454 9.526 1.00 0.90 H new ATOM 0 HD1 TYR A 84 16.436 23.841 10.002 1.00 1.47 H new ATOM 0 HD2 TYR A 84 15.486 21.506 6.578 1.00 1.80 H new ATOM 0 HE1 TYR A 84 18.092 25.083 8.733 1.00 1.46 H new ATOM 0 HE2 TYR A 84 17.167 22.764 5.304 1.00 2.01 H new ATOM 0 HH TYR A 84 18.853 24.213 5.369 1.00 1.56 H new ATOM 1365 N GLY A 85 14.394 19.462 11.322 1.00 0.71 N ATOM 1366 CA GLY A 85 13.583 18.707 12.343 1.00 0.83 C ATOM 1367 C GLY A 85 12.087 18.713 12.082 1.00 0.65 C ATOM 1368 O GLY A 85 11.503 19.749 11.843 1.00 0.69 O ATOM 0 H GLY A 85 14.584 18.959 10.455 1.00 0.71 H new ATOM 0 HA2 GLY A 85 13.930 17.674 12.374 1.00 0.83 H new ATOM 0 HA3 GLY A 85 13.770 19.136 13.327 1.00 0.83 H new ATOM 1372 N ILE A 86 11.487 17.561 12.130 1.00 0.93 N ATOM 1373 CA ILE A 86 10.030 17.458 11.898 1.00 1.53 C ATOM 1374 C ILE A 86 9.209 17.890 13.123 1.00 1.76 C ATOM 1375 O ILE A 86 8.188 18.516 12.882 1.00 2.69 O ATOM 1376 CB ILE A 86 9.808 15.977 11.504 1.00 1.77 C ATOM 1377 CG1 ILE A 86 9.315 15.995 10.098 1.00 3.10 C ATOM 1378 CG2 ILE A 86 8.834 15.185 12.412 1.00 1.81 C ATOM 1379 CD1 ILE A 86 7.928 16.708 9.982 1.00 3.13 C ATOM 1380 OXT ILE A 86 9.595 17.607 14.247 1.00 1.25 O ATOM 0 H ILE A 86 11.954 16.675 12.323 1.00 0.93 H new ATOM 0 HA ILE A 86 9.686 18.135 11.116 1.00 1.53 H new ATOM 0 HB ILE A 86 10.753 15.447 11.623 1.00 1.77 H new ATOM 0 HG12 ILE A 86 10.041 16.505 9.464 1.00 3.10 H new ATOM 0 HG13 ILE A 86 9.231 14.973 9.728 1.00 3.10 H new ATOM 0 HG21 ILE A 86 8.750 14.161 12.049 1.00 1.81 H new ATOM 0 HG22 ILE A 86 9.214 15.178 13.434 1.00 1.81 H new ATOM 0 HG23 ILE A 86 7.852 15.659 12.393 1.00 1.81 H new ATOM 0 HD11 ILE A 86 7.601 16.701 8.942 1.00 3.13 H new ATOM 0 HD12 ILE A 86 7.196 16.182 10.596 1.00 3.13 H new ATOM 0 HD13 ILE A 86 8.018 17.738 10.327 1.00 3.13 H new TER 1392 ILE A 86