USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 843 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 MET CE :methyl 162:sc= -0.0754 (180deg=-0.788) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0442 K(o=-0.044,f=-1.5!) USER MOD Single : A 44 GLN : amide:sc= -0.417 K(o=-0.42,f=-3.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -130:sc= -1.2 USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= 1.25 (180deg=-0.929!) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 141:sc= 0.471 (180deg=0.0164) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.1) USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.362 USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= -0.553 (180deg=-2.57!) USER MOD Single : A 103 GLN : amide:sc= -0.385 K(o=-0.38,f=-3!) USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= -0.0617 (180deg=-0.428) USER MOD Single : A 106 SER OG : rot -33:sc= 0.374 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 38:sc= 0.466 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.608 -18.927 2.524 1.00 0.00 N ATOM 2 CA GLY A 1 -20.181 -17.982 1.506 1.00 0.00 C ATOM 3 C GLY A 1 -20.753 -18.355 0.137 1.00 0.00 C ATOM 4 O GLY A 1 -21.259 -19.461 -0.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.401 -18.523 3.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.912 -19.812 2.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.816 -19.123 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.505 -16.978 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.092 -17.963 1.456 1.00 0.00 H new ATOM 8 N SER A 2 -20.653 -17.412 -0.788 1.00 0.00 N ATOM 9 CA SER A 2 -21.154 -17.627 -2.134 1.00 0.00 C ATOM 10 C SER A 2 -20.188 -17.023 -3.155 1.00 0.00 C ATOM 11 O SER A 2 -20.225 -15.821 -3.414 1.00 0.00 O ATOM 12 CB SER A 2 -22.551 -17.027 -2.305 1.00 0.00 C ATOM 13 OG SER A 2 -23.540 -18.030 -2.517 1.00 0.00 O ATOM 0 H SER A 2 -20.232 -16.496 -0.631 1.00 0.00 H new ATOM 0 HA SER A 2 -21.227 -18.701 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.807 -16.447 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.548 -16.336 -3.148 1.00 0.00 H new ATOM 0 HG SER A 2 -24.418 -17.607 -2.620 1.00 0.00 H new ATOM 19 N SER A 3 -19.345 -17.883 -3.707 1.00 0.00 N ATOM 20 CA SER A 3 -18.371 -17.449 -4.694 1.00 0.00 C ATOM 21 C SER A 3 -17.464 -16.372 -4.095 1.00 0.00 C ATOM 22 O SER A 3 -17.748 -15.844 -3.021 1.00 0.00 O ATOM 23 CB SER A 3 -19.060 -16.922 -5.954 1.00 0.00 C ATOM 24 OG SER A 3 -18.586 -17.568 -7.132 1.00 0.00 O ATOM 0 H SER A 3 -19.316 -18.879 -3.489 1.00 0.00 H new ATOM 0 HA SER A 3 -17.765 -18.309 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.136 -17.070 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.892 -15.848 -6.037 1.00 0.00 H new ATOM 0 HG SER A 3 -19.052 -17.205 -7.914 1.00 0.00 H new ATOM 30 N GLY A 4 -16.392 -16.078 -4.816 1.00 0.00 N ATOM 31 CA GLY A 4 -15.443 -15.073 -4.369 1.00 0.00 C ATOM 32 C GLY A 4 -14.184 -15.083 -5.239 1.00 0.00 C ATOM 33 O GLY A 4 -13.301 -15.919 -5.050 1.00 0.00 O ATOM 0 H GLY A 4 -16.160 -16.518 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.907 -14.087 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.173 -15.259 -3.330 1.00 0.00 H new ATOM 37 N SER A 5 -14.141 -14.145 -6.174 1.00 0.00 N ATOM 38 CA SER A 5 -13.005 -14.036 -7.073 1.00 0.00 C ATOM 39 C SER A 5 -13.144 -12.785 -7.942 1.00 0.00 C ATOM 40 O SER A 5 -14.077 -12.677 -8.736 1.00 0.00 O ATOM 41 CB SER A 5 -12.876 -15.282 -7.952 1.00 0.00 C ATOM 42 OG SER A 5 -11.515 -15.643 -8.171 1.00 0.00 O ATOM 0 H SER A 5 -14.875 -13.454 -6.328 1.00 0.00 H new ATOM 0 HA SER A 5 -12.100 -13.954 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.400 -16.114 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.362 -15.101 -8.911 1.00 0.00 H new ATOM 0 HG SER A 5 -11.476 -16.444 -8.735 1.00 0.00 H new ATOM 48 N SER A 6 -12.202 -11.871 -7.763 1.00 0.00 N ATOM 49 CA SER A 6 -12.207 -10.632 -8.521 1.00 0.00 C ATOM 50 C SER A 6 -10.887 -9.886 -8.315 1.00 0.00 C ATOM 51 O SER A 6 -10.169 -10.143 -7.350 1.00 0.00 O ATOM 52 CB SER A 6 -13.387 -9.744 -8.118 1.00 0.00 C ATOM 53 OG SER A 6 -13.182 -9.128 -6.850 1.00 0.00 O ATOM 0 H SER A 6 -11.430 -11.964 -7.103 1.00 0.00 H new ATOM 0 HA SER A 6 -12.316 -10.878 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.537 -8.974 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.297 -10.343 -8.087 1.00 0.00 H new ATOM 0 HG SER A 6 -13.956 -8.569 -6.629 1.00 0.00 H new ATOM 59 N GLY A 7 -10.608 -8.977 -9.238 1.00 0.00 N ATOM 60 CA GLY A 7 -9.387 -8.192 -9.170 1.00 0.00 C ATOM 61 C GLY A 7 -9.244 -7.292 -10.399 1.00 0.00 C ATOM 62 O GLY A 7 -10.182 -7.152 -11.182 1.00 0.00 O ATOM 0 H GLY A 7 -11.206 -8.767 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.393 -7.582 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.526 -8.857 -9.100 1.00 0.00 H new ATOM 66 N ALA A 8 -8.063 -6.705 -10.528 1.00 0.00 N ATOM 67 CA ALA A 8 -7.786 -5.822 -11.649 1.00 0.00 C ATOM 68 C ALA A 8 -6.328 -5.364 -11.582 1.00 0.00 C ATOM 69 O ALA A 8 -6.039 -4.266 -11.109 1.00 0.00 O ATOM 70 CB ALA A 8 -8.767 -4.649 -11.630 1.00 0.00 C ATOM 0 H ALA A 8 -7.288 -6.823 -9.876 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.924 -6.346 -12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.559 -3.987 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.787 -5.026 -11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.656 -4.097 -10.697 1.00 0.00 H new ATOM 76 N PRO A 9 -5.423 -6.252 -12.076 1.00 0.00 N ATOM 77 CA PRO A 9 -4.002 -5.949 -12.077 1.00 0.00 C ATOM 78 C PRO A 9 -3.657 -4.936 -13.171 1.00 0.00 C ATOM 79 O PRO A 9 -3.410 -5.313 -14.315 1.00 0.00 O ATOM 80 CB PRO A 9 -3.314 -7.291 -12.272 1.00 0.00 C ATOM 81 CG PRO A 9 -4.374 -8.224 -12.836 1.00 0.00 C ATOM 82 CD PRO A 9 -5.728 -7.561 -12.644 1.00 0.00 C ATOM 0 HA PRO A 9 -3.672 -5.477 -11.151 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.469 -7.201 -12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.922 -7.670 -11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.190 -8.417 -13.893 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.345 -9.187 -12.327 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.261 -7.468 -13.590 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.363 -8.144 -11.977 1.00 0.00 H new ATOM 90 N ALA A 10 -3.653 -3.670 -12.780 1.00 0.00 N ATOM 91 CA ALA A 10 -3.343 -2.600 -13.714 1.00 0.00 C ATOM 92 C ALA A 10 -2.913 -1.357 -12.933 1.00 0.00 C ATOM 93 O ALA A 10 -3.730 -0.480 -12.656 1.00 0.00 O ATOM 94 CB ALA A 10 -4.555 -2.337 -14.609 1.00 0.00 C ATOM 0 H ALA A 10 -3.859 -3.361 -11.830 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.515 -2.884 -14.363 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.323 -1.535 -15.309 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.801 -3.243 -15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.406 -2.046 -13.993 1.00 0.00 H new ATOM 100 N GLU A 11 -1.631 -1.320 -12.599 1.00 0.00 N ATOM 101 CA GLU A 11 -1.083 -0.199 -11.856 1.00 0.00 C ATOM 102 C GLU A 11 0.336 0.113 -12.335 1.00 0.00 C ATOM 103 O GLU A 11 1.226 -0.731 -12.242 1.00 0.00 O ATOM 104 CB GLU A 11 -1.105 -0.475 -10.351 1.00 0.00 C ATOM 105 CG GLU A 11 -0.157 -1.621 -9.990 1.00 0.00 C ATOM 106 CD GLU A 11 -0.770 -2.521 -8.915 1.00 0.00 C ATOM 107 OE1 GLU A 11 -1.966 -2.852 -9.066 1.00 0.00 O ATOM 108 OE2 GLU A 11 -0.028 -2.858 -7.967 1.00 0.00 O ATOM 0 H GLU A 11 -0.956 -2.049 -12.830 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.708 0.674 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.816 0.425 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.119 -0.725 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.063 -2.210 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.790 -1.216 -9.634 1.00 0.00 H new ATOM 115 N PRO A 12 0.508 1.360 -12.851 1.00 0.00 N ATOM 116 CA PRO A 12 1.803 1.794 -13.345 1.00 0.00 C ATOM 117 C PRO A 12 2.755 2.104 -12.188 1.00 0.00 C ATOM 118 O PRO A 12 2.328 2.216 -11.041 1.00 0.00 O ATOM 119 CB PRO A 12 1.508 3.006 -14.213 1.00 0.00 C ATOM 120 CG PRO A 12 0.125 3.485 -13.802 1.00 0.00 C ATOM 121 CD PRO A 12 -0.524 2.385 -12.977 1.00 0.00 C ATOM 0 HA PRO A 12 2.313 1.023 -13.922 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.253 3.787 -14.060 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.533 2.744 -15.271 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.197 4.405 -13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.478 3.709 -14.682 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.837 2.754 -12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.414 1.993 -13.470 1.00 0.00 H new ATOM 129 N ALA A 13 4.029 2.234 -12.531 1.00 0.00 N ATOM 130 CA ALA A 13 5.045 2.529 -11.535 1.00 0.00 C ATOM 131 C ALA A 13 6.288 3.087 -12.231 1.00 0.00 C ATOM 132 O ALA A 13 6.963 2.372 -12.970 1.00 0.00 O ATOM 133 CB ALA A 13 5.348 1.267 -10.725 1.00 0.00 C ATOM 0 H ALA A 13 4.380 2.140 -13.484 1.00 0.00 H new ATOM 0 HA ALA A 13 4.689 3.287 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.110 1.488 -9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.440 0.927 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.710 0.485 -11.392 1.00 0.00 H new ATOM 139 N ALA A 14 6.552 4.359 -11.970 1.00 0.00 N ATOM 140 CA ALA A 14 7.702 5.021 -12.563 1.00 0.00 C ATOM 141 C ALA A 14 8.111 6.205 -11.684 1.00 0.00 C ATOM 142 O ALA A 14 7.959 7.359 -12.082 1.00 0.00 O ATOM 143 CB ALA A 14 7.366 5.445 -13.994 1.00 0.00 C ATOM 0 H ALA A 14 5.990 4.949 -11.356 1.00 0.00 H new ATOM 0 HA ALA A 14 8.552 4.341 -12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.229 5.941 -14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.110 4.565 -14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.519 6.131 -13.981 1.00 0.00 H new ATOM 149 N PRO A 15 8.637 5.870 -10.476 1.00 0.00 N ATOM 150 CA PRO A 15 9.069 6.892 -9.538 1.00 0.00 C ATOM 151 C PRO A 15 10.395 7.516 -9.980 1.00 0.00 C ATOM 152 O PRO A 15 11.345 6.803 -10.298 1.00 0.00 O ATOM 153 CB PRO A 15 9.165 6.181 -8.198 1.00 0.00 C ATOM 154 CG PRO A 15 9.235 4.696 -8.517 1.00 0.00 C ATOM 155 CD PRO A 15 8.833 4.513 -9.972 1.00 0.00 C ATOM 0 HA PRO A 15 8.375 7.730 -9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.048 6.504 -7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.300 6.406 -7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.243 4.316 -8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.569 4.133 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.607 3.990 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.921 3.922 -10.060 1.00 0.00 H new ATOM 163 N LYS A 16 10.415 8.840 -9.986 1.00 0.00 N ATOM 164 CA LYS A 16 11.608 9.568 -10.384 1.00 0.00 C ATOM 165 C LYS A 16 11.385 11.065 -10.160 1.00 0.00 C ATOM 166 O LYS A 16 10.251 11.509 -9.990 1.00 0.00 O ATOM 167 CB LYS A 16 11.999 9.213 -11.820 1.00 0.00 C ATOM 168 CG LYS A 16 13.302 8.411 -11.851 1.00 0.00 C ATOM 169 CD LYS A 16 13.236 7.298 -12.898 1.00 0.00 C ATOM 170 CE LYS A 16 14.407 6.326 -12.741 1.00 0.00 C ATOM 171 NZ LYS A 16 15.142 6.189 -14.018 1.00 0.00 N ATOM 0 H LYS A 16 9.625 9.428 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 16 12.457 9.275 -9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.201 8.635 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.115 10.125 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.137 9.075 -12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.491 7.980 -10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.295 6.757 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.251 7.733 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.082 6.683 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.038 5.352 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.933 5.526 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.499 5.827 -14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.511 7.117 -14.308 1.00 0.00 H new ATOM 185 N SER A 17 12.486 11.803 -10.166 1.00 0.00 N ATOM 186 CA SER A 17 12.425 13.240 -9.966 1.00 0.00 C ATOM 187 C SER A 17 12.608 13.963 -11.302 1.00 0.00 C ATOM 188 O SER A 17 13.693 14.460 -11.600 1.00 0.00 O ATOM 189 CB SER A 17 13.485 13.702 -8.964 1.00 0.00 C ATOM 190 OG SER A 17 13.063 13.512 -7.616 1.00 0.00 O ATOM 0 H SER A 17 13.426 11.432 -10.306 1.00 0.00 H new ATOM 0 HA SER A 17 11.445 13.487 -9.558 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.410 13.152 -9.135 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.706 14.756 -9.130 1.00 0.00 H new ATOM 0 HG SER A 17 13.767 13.817 -7.007 1.00 0.00 H new ATOM 196 N GLY A 18 11.530 13.999 -12.071 1.00 0.00 N ATOM 197 CA GLY A 18 11.557 14.652 -13.369 1.00 0.00 C ATOM 198 C GLY A 18 10.511 15.767 -13.444 1.00 0.00 C ATOM 199 O GLY A 18 9.357 15.517 -13.788 1.00 0.00 O ATOM 0 H GLY A 18 10.632 13.586 -11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.549 15.066 -13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.369 13.919 -14.153 1.00 0.00 H new ATOM 203 N GLU A 19 10.953 16.972 -13.116 1.00 0.00 N ATOM 204 CA GLU A 19 10.069 18.125 -13.142 1.00 0.00 C ATOM 205 C GLU A 19 9.130 18.047 -14.348 1.00 0.00 C ATOM 206 O GLU A 19 9.452 17.411 -15.350 1.00 0.00 O ATOM 207 CB GLU A 19 10.870 19.429 -13.154 1.00 0.00 C ATOM 208 CG GLU A 19 11.598 19.637 -11.825 1.00 0.00 C ATOM 209 CD GLU A 19 13.115 19.655 -12.029 1.00 0.00 C ATOM 210 OE1 GLU A 19 13.576 18.921 -12.929 1.00 0.00 O ATOM 211 OE2 GLU A 19 13.779 20.403 -11.279 1.00 0.00 O ATOM 0 H GLU A 19 11.911 17.175 -12.831 1.00 0.00 H new ATOM 0 HA GLU A 19 9.465 18.116 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.593 19.408 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.201 20.269 -13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.277 20.575 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.330 18.841 -11.131 1.00 0.00 H new ATOM 218 N ALA A 20 7.987 18.704 -14.211 1.00 0.00 N ATOM 219 CA ALA A 20 6.999 18.717 -15.276 1.00 0.00 C ATOM 220 C ALA A 20 6.490 17.293 -15.510 1.00 0.00 C ATOM 221 O ALA A 20 7.019 16.339 -14.942 1.00 0.00 O ATOM 222 CB ALA A 20 7.614 19.331 -16.535 1.00 0.00 C ATOM 0 H ALA A 20 7.724 19.231 -13.378 1.00 0.00 H new ATOM 0 HA ALA A 20 6.143 19.332 -14.999 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.873 19.341 -17.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.933 20.352 -16.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.475 18.739 -16.846 1.00 0.00 H new ATOM 228 N GLU A 21 5.467 17.195 -16.347 1.00 0.00 N ATOM 229 CA GLU A 21 4.880 15.904 -16.664 1.00 0.00 C ATOM 230 C GLU A 21 4.167 15.331 -15.438 1.00 0.00 C ATOM 231 O GLU A 21 4.206 15.922 -14.359 1.00 0.00 O ATOM 232 CB GLU A 21 5.941 14.933 -17.186 1.00 0.00 C ATOM 233 CG GLU A 21 5.848 14.786 -18.706 1.00 0.00 C ATOM 234 CD GLU A 21 6.873 15.680 -19.407 1.00 0.00 C ATOM 235 OE1 GLU A 21 6.782 16.911 -19.208 1.00 0.00 O ATOM 236 OE2 GLU A 21 7.724 15.113 -20.126 1.00 0.00 O ATOM 0 H GLU A 21 5.030 17.989 -16.815 1.00 0.00 H new ATOM 0 HA GLU A 21 4.144 16.045 -17.455 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.933 15.291 -16.912 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.812 13.959 -16.714 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.016 13.746 -18.985 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.844 15.047 -19.039 1.00 0.00 H new ATOM 243 N THR A 22 3.533 14.186 -15.643 1.00 0.00 N ATOM 244 CA THR A 22 2.813 13.526 -14.568 1.00 0.00 C ATOM 245 C THR A 22 3.666 13.487 -13.299 1.00 0.00 C ATOM 246 O THR A 22 4.883 13.318 -13.370 1.00 0.00 O ATOM 247 CB THR A 22 2.394 12.139 -15.061 1.00 0.00 C ATOM 248 OG1 THR A 22 1.340 12.402 -15.983 1.00 0.00 O ATOM 249 CG2 THR A 22 1.730 11.304 -13.965 1.00 0.00 C ATOM 0 H THR A 22 3.503 13.698 -16.538 1.00 0.00 H new ATOM 0 HA THR A 22 1.912 14.078 -14.299 1.00 0.00 H new ATOM 0 HB THR A 22 3.268 11.610 -15.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.010 11.556 -16.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.452 10.330 -14.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.427 11.170 -13.138 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.837 11.817 -13.608 1.00 0.00 H new ATOM 257 N PRO A 23 2.978 13.651 -12.138 1.00 0.00 N ATOM 258 CA PRO A 23 3.660 13.637 -10.855 1.00 0.00 C ATOM 259 C PRO A 23 4.054 12.212 -10.460 1.00 0.00 C ATOM 260 O PRO A 23 3.579 11.245 -11.053 1.00 0.00 O ATOM 261 CB PRO A 23 2.681 14.273 -9.882 1.00 0.00 C ATOM 262 CG PRO A 23 1.318 14.197 -10.551 1.00 0.00 C ATOM 263 CD PRO A 23 1.537 13.854 -12.016 1.00 0.00 C ATOM 0 HA PRO A 23 4.600 14.189 -10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.678 13.744 -8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.956 15.307 -9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.698 13.440 -10.070 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.792 15.147 -10.456 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.985 12.958 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.194 14.658 -12.667 1.00 0.00 H new ATOM 271 N PRO A 24 4.942 12.126 -9.434 1.00 0.00 N ATOM 272 CA PRO A 24 5.406 10.836 -8.952 1.00 0.00 C ATOM 273 C PRO A 24 4.326 10.140 -8.122 1.00 0.00 C ATOM 274 O PRO A 24 3.294 10.735 -7.815 1.00 0.00 O ATOM 275 CB PRO A 24 6.663 11.142 -8.154 1.00 0.00 C ATOM 276 CG PRO A 24 6.599 12.626 -7.829 1.00 0.00 C ATOM 277 CD PRO A 24 5.526 13.249 -8.707 1.00 0.00 C ATOM 0 HA PRO A 24 5.624 10.139 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.703 10.544 -7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.558 10.906 -8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.365 12.776 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.564 13.099 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.776 13.766 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.951 13.984 -9.390 1.00 0.00 H new ATOM 285 N LYS A 25 4.601 8.889 -7.781 1.00 0.00 N ATOM 286 CA LYS A 25 3.666 8.106 -6.992 1.00 0.00 C ATOM 287 C LYS A 25 3.795 8.497 -5.519 1.00 0.00 C ATOM 288 O LYS A 25 4.822 9.029 -5.102 1.00 0.00 O ATOM 289 CB LYS A 25 3.867 6.611 -7.251 1.00 0.00 C ATOM 290 CG LYS A 25 3.115 6.166 -8.507 1.00 0.00 C ATOM 291 CD LYS A 25 1.770 5.532 -8.146 1.00 0.00 C ATOM 292 CE LYS A 25 0.778 6.591 -7.661 1.00 0.00 C ATOM 293 NZ LYS A 25 -0.504 5.960 -7.274 1.00 0.00 N ATOM 0 H LYS A 25 5.458 8.399 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 25 2.641 8.323 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.930 6.398 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.517 6.039 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.953 7.023 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.721 5.450 -9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.362 5.017 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.915 4.781 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.197 7.128 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.606 7.325 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.166 6.692 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.910 5.467 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.337 5.277 -6.508 1.00 0.00 H new ATOM 307 N HIS A 26 2.737 8.220 -4.771 1.00 0.00 N ATOM 308 CA HIS A 26 2.719 8.537 -3.353 1.00 0.00 C ATOM 309 C HIS A 26 3.429 7.430 -2.571 1.00 0.00 C ATOM 310 O HIS A 26 3.270 6.249 -2.875 1.00 0.00 O ATOM 311 CB HIS A 26 1.288 8.780 -2.869 1.00 0.00 C ATOM 312 CG HIS A 26 1.202 9.411 -1.499 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.441 8.706 -0.333 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.902 10.687 -1.123 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.288 9.530 0.693 1.00 0.00 C ATOM 316 NE2 HIS A 26 0.954 10.758 0.201 1.00 0.00 N ATOM 0 H HIS A 26 1.886 7.779 -5.120 1.00 0.00 H new ATOM 0 HA HIS A 26 3.263 9.465 -3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.777 9.422 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.754 7.830 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.663 11.502 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.407 9.275 1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.774 11.593 0.759 1.00 0.00 H new ATOM 324 N PRO A 27 4.219 7.863 -1.551 1.00 0.00 N ATOM 325 CA PRO A 27 4.954 6.922 -0.723 1.00 0.00 C ATOM 326 C PRO A 27 4.021 6.209 0.257 1.00 0.00 C ATOM 327 O PRO A 27 4.199 5.025 0.539 1.00 0.00 O ATOM 328 CB PRO A 27 6.018 7.758 -0.029 1.00 0.00 C ATOM 329 CG PRO A 27 5.548 9.200 -0.133 1.00 0.00 C ATOM 330 CD PRO A 27 4.431 9.254 -1.162 1.00 0.00 C ATOM 0 HA PRO A 27 5.411 6.119 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.132 7.459 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.989 7.628 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.193 9.556 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.372 9.849 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.525 9.690 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.711 9.867 -2.019 1.00 0.00 H new ATOM 338 N GLY A 28 3.046 6.959 0.749 1.00 0.00 N ATOM 339 CA GLY A 28 2.084 6.412 1.691 1.00 0.00 C ATOM 340 C GLY A 28 1.317 5.241 1.075 1.00 0.00 C ATOM 341 O GLY A 28 0.847 4.357 1.790 1.00 0.00 O ATOM 0 H GLY A 28 2.901 7.941 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.600 6.079 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.384 7.190 1.994 1.00 0.00 H new ATOM 345 N VAL A 29 1.215 5.271 -0.246 1.00 0.00 N ATOM 346 CA VAL A 29 0.513 4.223 -0.966 1.00 0.00 C ATOM 347 C VAL A 29 1.481 3.075 -1.259 1.00 0.00 C ATOM 348 O VAL A 29 1.247 1.940 -0.847 1.00 0.00 O ATOM 349 CB VAL A 29 -0.132 4.797 -2.229 1.00 0.00 C ATOM 350 CG1 VAL A 29 -0.839 3.702 -3.030 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.097 5.933 -1.884 1.00 0.00 C ATOM 0 H VAL A 29 1.607 6.005 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.297 3.819 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 29 0.662 5.209 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.289 4.137 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.116 2.941 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.617 3.247 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.542 6.323 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.884 5.556 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.554 6.730 -1.376 1.00 0.00 H new ATOM 361 N LEU A 30 2.550 3.410 -1.967 1.00 0.00 N ATOM 362 CA LEU A 30 3.554 2.422 -2.320 1.00 0.00 C ATOM 363 C LEU A 30 3.843 1.539 -1.104 1.00 0.00 C ATOM 364 O LEU A 30 4.099 0.344 -1.247 1.00 0.00 O ATOM 365 CB LEU A 30 4.798 3.103 -2.894 1.00 0.00 C ATOM 366 CG LEU A 30 4.569 3.998 -4.114 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.557 5.166 -4.130 1.00 0.00 C ATOM 368 CD2 LEU A 30 4.623 3.185 -5.409 1.00 0.00 C ATOM 0 H LEU A 30 2.742 4.353 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 30 3.184 1.768 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.255 3.704 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.519 2.331 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 30 3.568 4.423 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.373 5.786 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.427 5.765 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.576 4.780 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.457 3.845 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.601 2.712 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.849 2.417 -5.389 1.00 0.00 H new ATOM 380 N LYS A 31 3.793 2.161 0.065 1.00 0.00 N ATOM 381 CA LYS A 31 4.046 1.447 1.304 1.00 0.00 C ATOM 382 C LYS A 31 3.126 0.227 1.382 1.00 0.00 C ATOM 383 O LYS A 31 3.556 -0.855 1.780 1.00 0.00 O ATOM 384 CB LYS A 31 3.918 2.390 2.502 1.00 0.00 C ATOM 385 CG LYS A 31 5.243 2.497 3.260 1.00 0.00 C ATOM 386 CD LYS A 31 5.448 3.910 3.811 1.00 0.00 C ATOM 387 CE LYS A 31 6.808 4.038 4.498 1.00 0.00 C ATOM 388 NZ LYS A 31 7.090 5.453 4.828 1.00 0.00 N ATOM 0 H LYS A 31 3.581 3.152 0.180 1.00 0.00 H new ATOM 0 HA LYS A 31 5.071 1.076 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.610 3.378 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.139 2.028 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.256 1.778 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.068 2.239 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.377 4.634 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.655 4.146 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.821 3.437 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.590 3.648 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.017 5.523 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.098 6.018 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.353 5.814 5.467 1.00 0.00 H new ATOM 402 N VAL A 32 1.878 0.441 0.995 1.00 0.00 N ATOM 403 CA VAL A 32 0.893 -0.628 1.015 1.00 0.00 C ATOM 404 C VAL A 32 1.088 -1.518 -0.214 1.00 0.00 C ATOM 405 O VAL A 32 1.095 -2.743 -0.102 1.00 0.00 O ATOM 406 CB VAL A 32 -0.516 -0.040 1.110 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.500 1.306 1.838 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.149 0.094 -0.276 1.00 0.00 C ATOM 0 H VAL A 32 1.525 1.339 0.665 1.00 0.00 H new ATOM 0 HA VAL A 32 1.028 -1.256 1.896 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.128 -0.729 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.514 1.703 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.110 1.170 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.135 2.006 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.150 0.514 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.537 0.752 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.212 -0.888 -0.744 1.00 0.00 H new ATOM 418 N GLU A 33 1.241 -0.868 -1.358 1.00 0.00 N ATOM 419 CA GLU A 33 1.435 -1.585 -2.606 1.00 0.00 C ATOM 420 C GLU A 33 2.618 -2.548 -2.487 1.00 0.00 C ATOM 421 O GLU A 33 2.622 -3.612 -3.105 1.00 0.00 O ATOM 422 CB GLU A 33 1.634 -0.614 -3.772 1.00 0.00 C ATOM 423 CG GLU A 33 0.444 0.338 -3.902 1.00 0.00 C ATOM 424 CD GLU A 33 0.641 1.306 -5.070 1.00 0.00 C ATOM 425 OE1 GLU A 33 1.783 1.794 -5.216 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.354 1.537 -5.791 1.00 0.00 O ATOM 0 H GLU A 33 1.235 0.148 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 33 0.537 -2.167 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.548 -0.040 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.759 -1.174 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.471 -0.236 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.321 0.900 -2.976 1.00 0.00 H new ATOM 433 N ALA A 34 3.593 -2.141 -1.688 1.00 0.00 N ATOM 434 CA ALA A 34 4.779 -2.955 -1.479 1.00 0.00 C ATOM 435 C ALA A 34 4.386 -4.243 -0.752 1.00 0.00 C ATOM 436 O ALA A 34 4.846 -5.326 -1.111 1.00 0.00 O ATOM 437 CB ALA A 34 5.824 -2.146 -0.709 1.00 0.00 C ATOM 0 H ALA A 34 3.586 -1.258 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 34 5.224 -3.238 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.713 -2.756 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.090 -1.257 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.414 -1.847 0.256 1.00 0.00 H new ATOM 443 N ILE A 35 3.542 -4.082 0.256 1.00 0.00 N ATOM 444 CA ILE A 35 3.083 -5.219 1.036 1.00 0.00 C ATOM 445 C ILE A 35 2.153 -6.078 0.178 1.00 0.00 C ATOM 446 O ILE A 35 2.392 -7.272 0.001 1.00 0.00 O ATOM 447 CB ILE A 35 2.450 -4.748 2.347 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.491 -4.088 3.253 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.725 -5.898 3.050 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.917 -2.842 3.931 1.00 0.00 C ATOM 0 H ILE A 35 3.164 -3.182 0.551 1.00 0.00 H new ATOM 0 HA ILE A 35 3.925 -5.849 1.323 1.00 0.00 H new ATOM 0 HB ILE A 35 1.702 -3.991 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.822 -4.799 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.368 -3.816 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.284 -5.536 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.939 -6.283 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.435 -6.695 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.677 -2.392 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.609 -2.123 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.055 -3.122 4.536 1.00 0.00 H new ATOM 462 N LEU A 36 1.111 -5.439 -0.332 1.00 0.00 N ATOM 463 CA LEU A 36 0.143 -6.130 -1.168 1.00 0.00 C ATOM 464 C LEU A 36 0.883 -7.040 -2.150 1.00 0.00 C ATOM 465 O LEU A 36 0.564 -8.223 -2.267 1.00 0.00 O ATOM 466 CB LEU A 36 -0.794 -5.128 -1.844 1.00 0.00 C ATOM 467 CG LEU A 36 -2.120 -4.862 -1.129 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.055 -4.021 -2.001 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.776 -6.172 -0.684 1.00 0.00 C ATOM 0 H LEU A 36 0.915 -4.449 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.498 -6.769 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.265 -4.181 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.012 -5.486 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.912 -4.283 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.990 -3.847 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.582 -3.065 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.260 -4.551 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.717 -5.954 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.969 -6.797 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.110 -6.698 -0.000 1.00 0.00 H new ATOM 481 N GLU A 37 1.857 -6.455 -2.832 1.00 0.00 N ATOM 482 CA GLU A 37 2.644 -7.198 -3.801 1.00 0.00 C ATOM 483 C GLU A 37 3.026 -8.568 -3.236 1.00 0.00 C ATOM 484 O GLU A 37 3.015 -9.565 -3.956 1.00 0.00 O ATOM 485 CB GLU A 37 3.889 -6.410 -4.216 1.00 0.00 C ATOM 486 CG GLU A 37 3.880 -6.123 -5.718 1.00 0.00 C ATOM 487 CD GLU A 37 4.862 -7.036 -6.457 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.080 -6.840 -6.255 1.00 0.00 O ATOM 489 OE2 GLU A 37 4.372 -7.908 -7.206 1.00 0.00 O ATOM 0 H GLU A 37 2.119 -5.474 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 37 2.036 -7.351 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.931 -5.472 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.785 -6.974 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.875 -6.268 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.144 -5.080 -5.894 1.00 0.00 H new ATOM 496 N LYS A 38 3.354 -8.573 -1.952 1.00 0.00 N ATOM 497 CA LYS A 38 3.738 -9.804 -1.282 1.00 0.00 C ATOM 498 C LYS A 38 2.492 -10.659 -1.044 1.00 0.00 C ATOM 499 O LYS A 38 2.490 -11.854 -1.339 1.00 0.00 O ATOM 500 CB LYS A 38 4.526 -9.497 -0.008 1.00 0.00 C ATOM 501 CG LYS A 38 5.830 -8.765 -0.332 1.00 0.00 C ATOM 502 CD LYS A 38 6.194 -7.775 0.777 1.00 0.00 C ATOM 503 CE LYS A 38 7.679 -7.871 1.132 1.00 0.00 C ATOM 504 NZ LYS A 38 8.484 -7.018 0.230 1.00 0.00 N ATOM 0 H LYS A 38 3.362 -7.744 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 38 4.410 -10.387 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.919 -8.887 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.747 -10.425 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.636 -9.488 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.728 -8.235 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.958 -6.761 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.591 -7.977 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.832 -7.563 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.011 -8.906 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.489 -7.095 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.351 -7.330 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.178 -6.028 0.323 1.00 0.00 H new ATOM 518 N VAL A 39 1.463 -10.015 -0.513 1.00 0.00 N ATOM 519 CA VAL A 39 0.214 -10.703 -0.232 1.00 0.00 C ATOM 520 C VAL A 39 -0.122 -11.636 -1.396 1.00 0.00 C ATOM 521 O VAL A 39 -0.362 -12.825 -1.194 1.00 0.00 O ATOM 522 CB VAL A 39 -0.890 -9.684 0.056 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.238 -10.379 0.256 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.535 -8.818 1.267 1.00 0.00 C ATOM 0 H VAL A 39 1.468 -9.024 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 39 0.310 -11.320 0.661 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.976 -9.029 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.006 -9.632 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.500 -10.932 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.171 -11.068 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.336 -8.102 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.408 -9.453 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.393 -8.281 1.071 1.00 0.00 H new ATOM 534 N GLN A 40 -0.130 -11.062 -2.590 1.00 0.00 N ATOM 535 CA GLN A 40 -0.433 -11.827 -3.788 1.00 0.00 C ATOM 536 C GLN A 40 0.206 -13.215 -3.706 1.00 0.00 C ATOM 537 O GLN A 40 -0.412 -14.210 -4.081 1.00 0.00 O ATOM 538 CB GLN A 40 0.026 -11.085 -5.044 1.00 0.00 C ATOM 539 CG GLN A 40 -0.842 -9.851 -5.300 1.00 0.00 C ATOM 540 CD GLN A 40 -2.110 -10.223 -6.072 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.996 -10.898 -5.575 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.146 -9.746 -7.313 1.00 0.00 N ATOM 0 H GLN A 40 0.069 -10.075 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.514 -11.949 -3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.068 -10.784 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.023 -11.753 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.112 -9.389 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.273 -9.112 -5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.370 -9.187 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.950 -9.939 -7.910 1.00 0.00 H new ATOM 551 N GLY A 41 1.437 -13.237 -3.215 1.00 0.00 N ATOM 552 CA GLY A 41 2.166 -14.486 -3.079 1.00 0.00 C ATOM 553 C GLY A 41 1.490 -15.409 -2.064 1.00 0.00 C ATOM 554 O GLY A 41 1.328 -16.602 -2.316 1.00 0.00 O ATOM 0 H GLY A 41 1.947 -12.409 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.224 -14.984 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.189 -14.281 -2.764 1.00 0.00 H new ATOM 558 N LEU A 42 1.114 -14.822 -0.938 1.00 0.00 N ATOM 559 CA LEU A 42 0.458 -15.577 0.117 1.00 0.00 C ATOM 560 C LEU A 42 -0.899 -16.073 -0.385 1.00 0.00 C ATOM 561 O LEU A 42 -1.405 -17.090 0.087 1.00 0.00 O ATOM 562 CB LEU A 42 0.373 -14.745 1.398 1.00 0.00 C ATOM 563 CG LEU A 42 1.707 -14.265 1.975 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.484 -13.340 3.174 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.611 -15.448 2.325 1.00 0.00 C ATOM 0 H LEU A 42 1.251 -13.832 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 42 1.044 -16.459 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.250 -13.873 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.138 -15.336 2.158 1.00 0.00 H new ATOM 0 HG LEU A 42 2.221 -13.683 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.447 -13.013 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.906 -12.471 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.940 -13.877 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.552 -15.079 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.117 -16.077 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.809 -16.033 1.427 1.00 0.00 H new ATOM 577 N GLU A 43 -1.450 -15.332 -1.335 1.00 0.00 N ATOM 578 CA GLU A 43 -2.739 -15.684 -1.906 1.00 0.00 C ATOM 579 C GLU A 43 -2.601 -16.908 -2.813 1.00 0.00 C ATOM 580 O GLU A 43 -3.342 -17.880 -2.668 1.00 0.00 O ATOM 581 CB GLU A 43 -3.342 -14.502 -2.668 1.00 0.00 C ATOM 582 CG GLU A 43 -4.864 -14.471 -2.515 1.00 0.00 C ATOM 583 CD GLU A 43 -5.506 -15.692 -3.178 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.556 -15.700 -4.426 1.00 0.00 O ATOM 585 OE2 GLU A 43 -5.934 -16.589 -2.420 1.00 0.00 O ATOM 0 H GLU A 43 -1.027 -14.489 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.419 -15.934 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.916 -13.570 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.080 -14.573 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.126 -14.447 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.260 -13.559 -2.963 1.00 0.00 H new ATOM 592 N GLN A 44 -1.648 -16.822 -3.730 1.00 0.00 N ATOM 593 CA GLN A 44 -1.404 -17.910 -4.661 1.00 0.00 C ATOM 594 C GLN A 44 -1.349 -19.245 -3.914 1.00 0.00 C ATOM 595 O GLN A 44 -1.788 -20.269 -4.434 1.00 0.00 O ATOM 596 CB GLN A 44 -0.118 -17.674 -5.456 1.00 0.00 C ATOM 597 CG GLN A 44 -0.366 -16.725 -6.630 1.00 0.00 C ATOM 598 CD GLN A 44 -0.105 -17.424 -7.965 1.00 0.00 C ATOM 599 OE1 GLN A 44 0.366 -18.548 -8.025 1.00 0.00 O ATOM 600 NE2 GLN A 44 -0.436 -16.699 -9.030 1.00 0.00 N ATOM 0 H GLN A 44 -1.036 -16.015 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.230 -17.946 -5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.647 -17.256 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.264 -18.625 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.394 -16.364 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.281 -15.852 -6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.826 -15.764 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.300 -17.078 -9.967 1.00 0.00 H new ATOM 609 N ALA A 45 -0.807 -19.189 -2.707 1.00 0.00 N ATOM 610 CA ALA A 45 -0.689 -20.381 -1.884 1.00 0.00 C ATOM 611 C ALA A 45 -2.087 -20.862 -1.488 1.00 0.00 C ATOM 612 O ALA A 45 -2.388 -22.050 -1.585 1.00 0.00 O ATOM 613 CB ALA A 45 0.189 -20.077 -0.668 1.00 0.00 C ATOM 0 H ALA A 45 -0.445 -18.337 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.208 -21.186 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.278 -20.971 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.179 -19.767 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.264 -19.276 -0.084 1.00 0.00 H new ATOM 619 N VAL A 46 -2.902 -19.914 -1.050 1.00 0.00 N ATOM 620 CA VAL A 46 -4.260 -20.226 -0.639 1.00 0.00 C ATOM 621 C VAL A 46 -5.011 -20.859 -1.813 1.00 0.00 C ATOM 622 O VAL A 46 -5.445 -22.007 -1.730 1.00 0.00 O ATOM 623 CB VAL A 46 -4.946 -18.969 -0.099 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.463 -19.155 -0.040 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.387 -18.586 1.272 1.00 0.00 C ATOM 0 H VAL A 46 -2.648 -18.929 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.255 -20.952 0.174 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.736 -18.150 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.926 -18.247 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.844 -19.358 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.702 -19.992 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.891 -17.690 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.553 -19.403 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.318 -18.392 1.188 1.00 0.00 H new ATOM 635 N ASP A 47 -5.140 -20.083 -2.879 1.00 0.00 N ATOM 636 CA ASP A 47 -5.831 -20.553 -4.067 1.00 0.00 C ATOM 637 C ASP A 47 -5.336 -21.958 -4.417 1.00 0.00 C ATOM 638 O ASP A 47 -6.062 -22.743 -5.025 1.00 0.00 O ATOM 639 CB ASP A 47 -5.550 -19.642 -5.264 1.00 0.00 C ATOM 640 CG ASP A 47 -6.766 -19.335 -6.141 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.464 -20.306 -6.504 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.969 -18.135 -6.430 1.00 0.00 O ATOM 0 H ASP A 47 -4.778 -19.132 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.901 -20.554 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.138 -18.702 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.782 -20.106 -5.883 1.00 0.00 H new ATOM 647 N SER A 48 -4.102 -22.232 -4.019 1.00 0.00 N ATOM 648 CA SER A 48 -3.502 -23.529 -4.282 1.00 0.00 C ATOM 649 C SER A 48 -3.044 -24.170 -2.971 1.00 0.00 C ATOM 650 O SER A 48 -1.975 -24.776 -2.911 1.00 0.00 O ATOM 651 CB SER A 48 -2.324 -23.404 -5.251 1.00 0.00 C ATOM 652 OG SER A 48 -2.549 -24.120 -6.461 1.00 0.00 O ATOM 0 H SER A 48 -3.502 -21.578 -3.517 1.00 0.00 H new ATOM 0 HA SER A 48 -4.255 -24.166 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.153 -22.352 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.419 -23.778 -4.772 1.00 0.00 H new ATOM 0 HG SER A 48 -1.775 -24.014 -7.053 1.00 0.00 H new ATOM 658 N PHE A 49 -3.877 -24.015 -1.952 1.00 0.00 N ATOM 659 CA PHE A 49 -3.571 -24.572 -0.645 1.00 0.00 C ATOM 660 C PHE A 49 -4.404 -25.827 -0.375 1.00 0.00 C ATOM 661 O PHE A 49 -5.309 -26.153 -1.142 1.00 0.00 O ATOM 662 CB PHE A 49 -3.930 -23.505 0.391 1.00 0.00 C ATOM 663 CG PHE A 49 -3.998 -24.029 1.827 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.858 -24.163 2.556 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.198 -24.359 2.374 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.921 -24.650 3.889 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.261 -24.846 3.707 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.121 -24.981 4.436 1.00 0.00 C ATOM 0 H PHE A 49 -4.763 -23.512 -2.005 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.518 -24.849 -0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.193 -22.704 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.894 -23.068 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.905 -23.899 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.103 -24.251 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.016 -24.757 4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.214 -25.109 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.169 -25.351 5.449 1.00 0.00 H new ATOM 678 N GLU A 50 -4.067 -26.498 0.716 1.00 0.00 N ATOM 679 CA GLU A 50 -4.772 -27.711 1.097 1.00 0.00 C ATOM 680 C GLU A 50 -4.357 -28.147 2.503 1.00 0.00 C ATOM 681 O GLU A 50 -3.169 -28.201 2.815 1.00 0.00 O ATOM 682 CB GLU A 50 -4.527 -28.829 0.081 1.00 0.00 C ATOM 683 CG GLU A 50 -5.578 -29.933 0.217 1.00 0.00 C ATOM 684 CD GLU A 50 -5.554 -30.864 -0.997 1.00 0.00 C ATOM 685 OE1 GLU A 50 -6.110 -30.453 -2.039 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.980 -31.966 -0.856 1.00 0.00 O ATOM 0 H GLU A 50 -3.315 -26.225 1.349 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.841 -27.500 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.553 -28.420 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.532 -29.249 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.392 -30.508 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.568 -29.488 0.319 1.00 0.00 H new ATOM 693 N GLY A 51 -5.361 -28.447 3.315 1.00 0.00 N ATOM 694 CA GLY A 51 -5.115 -28.877 4.681 1.00 0.00 C ATOM 695 C GLY A 51 -6.309 -28.552 5.581 1.00 0.00 C ATOM 696 O GLY A 51 -7.445 -28.903 5.262 1.00 0.00 O ATOM 0 H GLY A 51 -6.346 -28.401 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.922 -29.950 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.221 -28.386 5.065 1.00 0.00 H new ATOM 700 N LYS A 52 -6.012 -27.887 6.687 1.00 0.00 N ATOM 701 CA LYS A 52 -7.047 -27.511 7.635 1.00 0.00 C ATOM 702 C LYS A 52 -6.649 -26.206 8.327 1.00 0.00 C ATOM 703 O LYS A 52 -5.670 -25.568 7.942 1.00 0.00 O ATOM 704 CB LYS A 52 -7.328 -28.660 8.606 1.00 0.00 C ATOM 705 CG LYS A 52 -6.030 -29.360 9.017 1.00 0.00 C ATOM 706 CD LYS A 52 -6.013 -30.812 8.534 1.00 0.00 C ATOM 707 CE LYS A 52 -6.205 -31.781 9.702 1.00 0.00 C ATOM 708 NZ LYS A 52 -6.792 -33.054 9.229 1.00 0.00 N ATOM 0 H LYS A 52 -5.069 -27.599 6.948 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.988 -27.324 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.835 -28.277 9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.001 -29.379 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.177 -28.825 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.926 -29.333 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.803 -30.963 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.067 -31.022 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.246 -31.973 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.855 -31.331 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.915 -33.700 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.716 -32.868 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.158 -33.490 8.530 1.00 0.00 H new ATOM 722 N LYS A 53 -7.429 -25.847 9.336 1.00 0.00 N ATOM 723 CA LYS A 53 -7.171 -24.629 10.085 1.00 0.00 C ATOM 724 C LYS A 53 -6.176 -24.927 11.209 1.00 0.00 C ATOM 725 O LYS A 53 -5.649 -24.010 11.836 1.00 0.00 O ATOM 726 CB LYS A 53 -8.482 -24.011 10.573 1.00 0.00 C ATOM 727 CG LYS A 53 -9.325 -23.513 9.397 1.00 0.00 C ATOM 728 CD LYS A 53 -10.636 -22.893 9.886 1.00 0.00 C ATOM 729 CE LYS A 53 -11.803 -23.298 8.983 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.846 -23.996 9.768 1.00 0.00 N ATOM 0 H LYS A 53 -8.240 -26.378 9.652 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.712 -23.878 9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.046 -24.749 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.268 -23.183 11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.760 -22.776 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.540 -24.342 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.835 -23.213 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.545 -21.807 9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.227 -22.413 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.445 -23.947 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.631 -24.264 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.441 -24.851 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.200 -23.364 10.515 1.00 0.00 H new ATOM 744 N THR A 54 -5.949 -26.214 11.428 1.00 0.00 N ATOM 745 CA THR A 54 -5.027 -26.645 12.465 1.00 0.00 C ATOM 746 C THR A 54 -3.655 -26.958 11.863 1.00 0.00 C ATOM 747 O THR A 54 -2.626 -26.626 12.449 1.00 0.00 O ATOM 748 CB THR A 54 -5.656 -27.834 13.193 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.573 -28.901 12.252 1.00 0.00 O ATOM 750 CG2 THR A 54 -7.159 -27.654 13.419 1.00 0.00 C ATOM 0 H THR A 54 -6.388 -26.972 10.905 1.00 0.00 H new ATOM 0 HA THR A 54 -4.854 -25.853 13.194 1.00 0.00 H new ATOM 0 HB THR A 54 -5.159 -27.976 14.152 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.449 -29.333 12.170 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.556 -28.526 13.939 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.332 -26.762 14.021 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.661 -27.546 12.458 1.00 0.00 H new ATOM 758 N ASP A 55 -3.686 -27.592 10.700 1.00 0.00 N ATOM 759 CA ASP A 55 -2.458 -27.953 10.012 1.00 0.00 C ATOM 760 C ASP A 55 -1.450 -26.811 10.144 1.00 0.00 C ATOM 761 O ASP A 55 -1.833 -25.643 10.196 1.00 0.00 O ATOM 762 CB ASP A 55 -2.711 -28.191 8.522 1.00 0.00 C ATOM 763 CG ASP A 55 -2.885 -29.657 8.122 1.00 0.00 C ATOM 764 OD1 ASP A 55 -2.507 -30.519 8.944 1.00 0.00 O ATOM 765 OD2 ASP A 55 -3.391 -29.883 7.001 1.00 0.00 O ATOM 0 H ASP A 55 -4.542 -27.865 10.217 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.075 -28.868 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.605 -27.641 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.879 -27.772 7.956 1.00 0.00 H new ATOM 770 N LYS A 56 -0.180 -27.187 10.195 1.00 0.00 N ATOM 771 CA LYS A 56 0.886 -26.208 10.320 1.00 0.00 C ATOM 772 C LYS A 56 0.948 -25.362 9.047 1.00 0.00 C ATOM 773 O LYS A 56 0.986 -24.134 9.114 1.00 0.00 O ATOM 774 CB LYS A 56 2.208 -26.897 10.665 1.00 0.00 C ATOM 775 CG LYS A 56 3.207 -25.901 11.259 1.00 0.00 C ATOM 776 CD LYS A 56 3.847 -25.047 10.162 1.00 0.00 C ATOM 777 CE LYS A 56 4.941 -24.146 10.738 1.00 0.00 C ATOM 778 NZ LYS A 56 6.021 -23.944 9.747 1.00 0.00 N ATOM 0 H LYS A 56 0.134 -28.156 10.152 1.00 0.00 H new ATOM 0 HA LYS A 56 0.682 -25.527 11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.027 -27.704 11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.631 -27.351 9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.700 -25.257 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.982 -26.439 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.270 -25.693 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.084 -24.436 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.515 -23.184 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.350 -24.594 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.389 -22.975 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.789 -24.622 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.645 -24.093 8.789 1.00 0.00 H new ATOM 792 N LYS A 57 0.956 -26.052 7.916 1.00 0.00 N ATOM 793 CA LYS A 57 1.012 -25.380 6.629 1.00 0.00 C ATOM 794 C LYS A 57 0.100 -24.152 6.660 1.00 0.00 C ATOM 795 O LYS A 57 0.488 -23.074 6.210 1.00 0.00 O ATOM 796 CB LYS A 57 0.688 -26.358 5.498 1.00 0.00 C ATOM 797 CG LYS A 57 0.535 -25.624 4.165 1.00 0.00 C ATOM 798 CD LYS A 57 1.732 -25.892 3.251 1.00 0.00 C ATOM 799 CE LYS A 57 2.844 -24.869 3.489 1.00 0.00 C ATOM 800 NZ LYS A 57 3.805 -24.876 2.364 1.00 0.00 N ATOM 0 H LYS A 57 0.925 -27.070 7.864 1.00 0.00 H new ATOM 0 HA LYS A 57 2.022 -25.023 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.480 -27.103 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.232 -26.895 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.383 -25.945 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.442 -24.553 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.113 -26.897 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.414 -25.853 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.413 -23.874 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.363 -25.098 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.553 -24.176 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.229 -25.821 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.309 -24.636 1.482 1.00 0.00 H new ATOM 814 N TYR A 58 -1.095 -24.355 7.195 1.00 0.00 N ATOM 815 CA TYR A 58 -2.065 -23.277 7.290 1.00 0.00 C ATOM 816 C TYR A 58 -1.558 -22.163 8.209 1.00 0.00 C ATOM 817 O TYR A 58 -1.707 -20.982 7.898 1.00 0.00 O ATOM 818 CB TYR A 58 -3.323 -23.895 7.904 1.00 0.00 C ATOM 819 CG TYR A 58 -4.471 -22.904 8.101 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.130 -22.384 7.005 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.848 -22.528 9.374 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.211 -21.451 7.190 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.928 -21.595 9.560 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.557 -21.102 8.459 1.00 0.00 C ATOM 825 OH TYR A 58 -7.577 -20.221 8.633 1.00 0.00 O ATOM 0 H TYR A 58 -1.414 -25.250 7.567 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.250 -22.839 6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.665 -24.709 7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.066 -24.334 8.868 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.835 -22.677 6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.332 -22.934 10.232 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.735 -21.038 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.232 -21.293 10.551 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.715 -20.065 9.591 1.00 0.00 H new ATOM 835 N LEU A 59 -0.970 -22.578 9.321 1.00 0.00 N ATOM 836 CA LEU A 59 -0.441 -21.630 10.286 1.00 0.00 C ATOM 837 C LEU A 59 0.559 -20.704 9.590 1.00 0.00 C ATOM 838 O LEU A 59 0.572 -19.500 9.839 1.00 0.00 O ATOM 839 CB LEU A 59 0.141 -22.365 11.495 1.00 0.00 C ATOM 840 CG LEU A 59 -0.838 -23.234 12.288 1.00 0.00 C ATOM 841 CD1 LEU A 59 -0.093 -24.174 13.237 1.00 0.00 C ATOM 842 CD2 LEU A 59 -1.865 -22.370 13.024 1.00 0.00 C ATOM 0 H LEU A 59 -0.848 -23.558 9.575 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.240 -21.000 10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.960 -22.997 11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.571 -21.626 12.172 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.388 -23.859 11.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.812 -24.780 13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.565 -24.825 12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.500 -23.588 13.939 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.549 -23.012 13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.350 -21.703 13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.428 -21.779 12.301 1.00 0.00 H new ATOM 854 N MET A 60 1.372 -21.302 8.732 1.00 0.00 N ATOM 855 CA MET A 60 2.372 -20.546 7.998 1.00 0.00 C ATOM 856 C MET A 60 1.722 -19.439 7.165 1.00 0.00 C ATOM 857 O MET A 60 2.111 -18.276 7.260 1.00 0.00 O ATOM 858 CB MET A 60 3.150 -21.488 7.076 1.00 0.00 C ATOM 859 CG MET A 60 4.346 -22.104 7.805 1.00 0.00 C ATOM 860 SD MET A 60 4.936 -23.532 6.912 1.00 0.00 S ATOM 861 CE MET A 60 5.243 -22.794 5.316 1.00 0.00 C ATOM 0 H MET A 60 1.359 -22.301 8.529 1.00 0.00 H new ATOM 0 HA MET A 60 3.049 -20.084 8.716 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.491 -22.279 6.718 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.496 -20.941 6.199 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.144 -21.368 7.898 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.058 -22.391 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.901 -23.441 4.736 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.299 -22.668 4.786 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.716 -21.821 5.450 1.00 0.00 H new ATOM 871 N ILE A 61 0.742 -19.840 6.369 1.00 0.00 N ATOM 872 CA ILE A 61 0.033 -18.897 5.520 1.00 0.00 C ATOM 873 C ILE A 61 -0.786 -17.947 6.395 1.00 0.00 C ATOM 874 O ILE A 61 -0.817 -16.742 6.150 1.00 0.00 O ATOM 875 CB ILE A 61 -0.798 -19.639 4.472 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.076 -20.591 3.652 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.564 -18.657 3.584 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.771 -21.676 2.986 1.00 0.00 C ATOM 0 H ILE A 61 0.422 -20.806 6.294 1.00 0.00 H new ATOM 0 HA ILE A 61 0.738 -18.285 4.958 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.538 -20.248 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.617 -20.029 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.822 -21.053 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.147 -19.211 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.234 -18.056 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.858 -18.003 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.126 -22.339 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.292 -22.252 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.500 -21.212 2.322 1.00 0.00 H new ATOM 890 N GLU A 62 -1.431 -18.525 7.398 1.00 0.00 N ATOM 891 CA GLU A 62 -2.249 -17.745 8.311 1.00 0.00 C ATOM 892 C GLU A 62 -1.433 -16.596 8.905 1.00 0.00 C ATOM 893 O GLU A 62 -1.822 -15.433 8.801 1.00 0.00 O ATOM 894 CB GLU A 62 -2.836 -18.628 9.413 1.00 0.00 C ATOM 895 CG GLU A 62 -3.690 -17.805 10.380 1.00 0.00 C ATOM 896 CD GLU A 62 -2.812 -17.046 11.377 1.00 0.00 C ATOM 897 OE1 GLU A 62 -1.820 -17.653 11.837 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.152 -15.876 11.657 1.00 0.00 O ATOM 0 H GLU A 62 -1.404 -19.525 7.598 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.082 -17.321 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.443 -19.416 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.030 -19.117 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.303 -17.099 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.373 -18.463 10.918 1.00 0.00 H new ATOM 905 N GLU A 63 -0.315 -16.960 9.516 1.00 0.00 N ATOM 906 CA GLU A 63 0.560 -15.975 10.127 1.00 0.00 C ATOM 907 C GLU A 63 1.126 -15.034 9.062 1.00 0.00 C ATOM 908 O GLU A 63 1.170 -13.821 9.260 1.00 0.00 O ATOM 909 CB GLU A 63 1.684 -16.652 10.914 1.00 0.00 C ATOM 910 CG GLU A 63 2.946 -16.788 10.059 1.00 0.00 C ATOM 911 CD GLU A 63 4.055 -17.508 10.829 1.00 0.00 C ATOM 912 OE1 GLU A 63 3.698 -18.340 11.691 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.233 -17.210 10.539 1.00 0.00 O ATOM 0 H GLU A 63 0.005 -17.925 9.601 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.027 -15.384 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.907 -16.071 11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.358 -17.637 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.714 -17.339 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.292 -15.800 9.755 1.00 0.00 H new ATOM 920 N TYR A 64 1.545 -15.629 7.955 1.00 0.00 N ATOM 921 CA TYR A 64 2.106 -14.859 6.858 1.00 0.00 C ATOM 922 C TYR A 64 1.120 -13.794 6.374 1.00 0.00 C ATOM 923 O TYR A 64 1.510 -12.659 6.103 1.00 0.00 O ATOM 924 CB TYR A 64 2.355 -15.858 5.726 1.00 0.00 C ATOM 925 CG TYR A 64 3.744 -16.497 5.754 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.852 -15.728 6.045 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.890 -17.844 5.488 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.160 -16.330 6.072 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.198 -18.445 5.514 1.00 0.00 C ATOM 930 CZ TYR A 64 6.268 -17.659 5.805 1.00 0.00 C ATOM 931 OH TYR A 64 7.504 -18.227 5.830 1.00 0.00 O ATOM 0 H TYR A 64 1.507 -16.636 7.794 1.00 0.00 H new ATOM 0 HA TYR A 64 3.016 -14.349 7.174 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.603 -16.645 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.219 -15.350 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.738 -14.674 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.023 -18.447 5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.035 -15.739 6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.326 -19.497 5.307 1.00 0.00 H new ATOM 0 HH TYR A 64 7.430 -19.182 5.622 1.00 0.00 H new ATOM 941 N LEU A 65 -0.139 -14.197 6.282 1.00 0.00 N ATOM 942 CA LEU A 65 -1.184 -13.291 5.836 1.00 0.00 C ATOM 943 C LEU A 65 -1.254 -12.094 6.786 1.00 0.00 C ATOM 944 O LEU A 65 -1.117 -10.949 6.358 1.00 0.00 O ATOM 945 CB LEU A 65 -2.512 -14.037 5.687 1.00 0.00 C ATOM 946 CG LEU A 65 -2.640 -14.939 4.458 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.953 -15.724 4.488 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.484 -14.132 3.167 1.00 0.00 C ATOM 0 H LEU A 65 -0.459 -15.139 6.509 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.952 -12.899 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.666 -14.646 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.317 -13.303 5.660 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.829 -15.667 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.019 -16.357 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.985 -16.346 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.792 -15.029 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.579 -14.797 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.259 -13.366 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.503 -13.657 3.151 1.00 0.00 H new ATOM 960 N THR A 66 -1.469 -12.400 8.057 1.00 0.00 N ATOM 961 CA THR A 66 -1.559 -11.363 9.071 1.00 0.00 C ATOM 962 C THR A 66 -0.302 -10.491 9.056 1.00 0.00 C ATOM 963 O THR A 66 -0.391 -9.266 9.110 1.00 0.00 O ATOM 964 CB THR A 66 -1.813 -12.041 10.419 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.199 -12.367 10.388 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.684 -11.071 11.596 1.00 0.00 C ATOM 0 H THR A 66 -1.583 -13.351 8.408 1.00 0.00 H new ATOM 0 HA THR A 66 -2.388 -10.685 8.871 1.00 0.00 H new ATOM 0 HB THR A 66 -1.111 -12.865 10.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.449 -12.812 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.874 -11.603 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.677 -10.654 11.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.409 -10.265 11.484 1.00 0.00 H new ATOM 974 N LYS A 67 0.841 -11.158 8.983 1.00 0.00 N ATOM 975 CA LYS A 67 2.114 -10.459 8.960 1.00 0.00 C ATOM 976 C LYS A 67 1.998 -9.223 8.066 1.00 0.00 C ATOM 977 O LYS A 67 2.491 -8.152 8.415 1.00 0.00 O ATOM 978 CB LYS A 67 3.240 -11.411 8.550 1.00 0.00 C ATOM 979 CG LYS A 67 3.908 -12.032 9.779 1.00 0.00 C ATOM 980 CD LYS A 67 4.697 -13.287 9.398 1.00 0.00 C ATOM 981 CE LYS A 67 5.474 -13.831 10.599 1.00 0.00 C ATOM 982 NZ LYS A 67 6.648 -14.609 10.146 1.00 0.00 N ATOM 0 H LYS A 67 0.911 -12.175 8.939 1.00 0.00 H new ATOM 0 HA LYS A 67 2.372 -10.106 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.840 -12.199 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.982 -10.871 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.575 -11.305 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.150 -12.285 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.015 -14.051 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.388 -13.055 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.799 -13.006 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.824 -14.462 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.454 -14.419 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.422 -15.624 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.894 -14.332 9.174 1.00 0.00 H new ATOM 996 N GLU A 68 1.342 -9.414 6.931 1.00 0.00 N ATOM 997 CA GLU A 68 1.154 -8.327 5.984 1.00 0.00 C ATOM 998 C GLU A 68 0.162 -7.304 6.541 1.00 0.00 C ATOM 999 O GLU A 68 0.373 -6.099 6.417 1.00 0.00 O ATOM 1000 CB GLU A 68 0.690 -8.858 4.626 1.00 0.00 C ATOM 1001 CG GLU A 68 1.614 -9.972 4.129 1.00 0.00 C ATOM 1002 CD GLU A 68 3.034 -9.448 3.905 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.817 -9.500 4.878 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.304 -9.007 2.767 1.00 0.00 O ATOM 0 H GLU A 68 0.934 -10.304 6.645 1.00 0.00 H new ATOM 0 HA GLU A 68 2.113 -7.830 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.329 -9.235 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.672 -8.045 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.633 -10.785 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.224 -10.385 3.199 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.899 -7.822 7.142 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.924 -6.969 7.718 1.00 0.00 C ATOM 1013 C LEU A 69 -1.263 -5.912 8.605 1.00 0.00 C ATOM 1014 O LEU A 69 -1.406 -4.714 8.362 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.977 -7.810 8.443 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.979 -8.545 7.552 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -5.084 -9.193 8.388 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.545 -7.612 6.479 1.00 0.00 C ATOM 0 H LEU A 69 -1.071 -8.822 7.242 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.461 -6.436 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.463 -8.546 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.531 -7.158 9.118 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.453 -9.348 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.783 -9.709 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.643 -9.909 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.614 -8.424 8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.255 -8.159 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.051 -6.773 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.732 -7.238 5.856 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.553 -6.393 9.615 1.00 0.00 N ATOM 1031 CA LEU A 70 0.131 -5.505 10.539 1.00 0.00 C ATOM 1032 C LEU A 70 0.953 -4.487 9.747 1.00 0.00 C ATOM 1033 O LEU A 70 1.051 -3.324 10.138 1.00 0.00 O ATOM 1034 CB LEU A 70 0.954 -6.311 11.546 1.00 0.00 C ATOM 1035 CG LEU A 70 0.163 -7.238 12.471 1.00 0.00 C ATOM 1036 CD1 LEU A 70 0.915 -8.549 12.708 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.189 -6.534 13.783 1.00 0.00 C ATOM 0 H LEU A 70 -0.437 -7.387 9.814 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.590 -4.941 11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.678 -6.912 10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.521 -5.614 12.162 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.776 -7.490 11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.331 -9.189 13.369 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.071 -9.056 11.756 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.880 -8.337 13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.751 -7.215 14.422 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.727 -6.232 14.291 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.794 -5.652 13.572 1.00 0.00 H new ATOM 1049 N ALA A 71 1.523 -4.960 8.649 1.00 0.00 N ATOM 1050 CA ALA A 71 2.334 -4.105 7.798 1.00 0.00 C ATOM 1051 C ALA A 71 1.427 -3.114 7.065 1.00 0.00 C ATOM 1052 O ALA A 71 1.855 -2.014 6.720 1.00 0.00 O ATOM 1053 CB ALA A 71 3.152 -4.969 6.837 1.00 0.00 C ATOM 0 H ALA A 71 1.440 -5.925 8.328 1.00 0.00 H new ATOM 0 HA ALA A 71 3.039 -3.526 8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.760 -4.328 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.801 -5.633 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.479 -5.563 6.219 1.00 0.00 H new ATOM 1059 N LEU A 72 0.191 -3.541 6.849 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.780 -2.705 6.164 1.00 0.00 C ATOM 1061 C LEU A 72 -1.302 -1.640 7.129 1.00 0.00 C ATOM 1062 O LEU A 72 -1.581 -0.513 6.724 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.882 -3.565 5.542 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.485 -4.375 4.306 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.546 -5.425 3.974 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.196 -3.456 3.118 1.00 0.00 C ATOM 0 H LEU A 72 -0.160 -4.455 7.136 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.310 -2.179 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.249 -4.255 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.715 -2.915 5.274 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.562 -4.910 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.239 -5.986 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.659 -6.107 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.497 -4.931 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.916 -4.057 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.087 -2.874 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.378 -2.781 3.371 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.418 -2.034 8.389 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.901 -1.127 9.416 1.00 0.00 C ATOM 1080 C ASP A 73 -0.769 -0.187 9.834 1.00 0.00 C ATOM 1081 O ASP A 73 -0.997 0.999 10.067 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.361 -1.895 10.657 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.660 -1.388 11.286 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.589 -1.087 10.506 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.695 -1.314 12.534 1.00 0.00 O ATOM 0 H ASP A 73 -1.186 -2.970 8.722 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.742 -0.569 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.489 -2.944 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.571 -1.851 11.406 1.00 0.00 H new ATOM 1090 N SER A 74 0.427 -0.751 9.915 1.00 0.00 N ATOM 1091 CA SER A 74 1.595 0.022 10.301 1.00 0.00 C ATOM 1092 C SER A 74 1.641 1.330 9.508 1.00 0.00 C ATOM 1093 O SER A 74 2.241 2.308 9.952 1.00 0.00 O ATOM 1094 CB SER A 74 2.881 -0.777 10.083 1.00 0.00 C ATOM 1095 OG SER A 74 4.036 -0.053 10.498 1.00 0.00 O ATOM 0 H SER A 74 0.612 -1.735 9.720 1.00 0.00 H new ATOM 0 HA SER A 74 1.518 0.251 11.364 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.823 -1.715 10.635 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.974 -1.034 9.028 1.00 0.00 H new ATOM 0 HG SER A 74 4.836 -0.597 10.344 1.00 0.00 H new ATOM 1101 N VAL A 75 1.000 1.305 8.349 1.00 0.00 N ATOM 1102 CA VAL A 75 0.961 2.477 7.491 1.00 0.00 C ATOM 1103 C VAL A 75 0.072 3.544 8.132 1.00 0.00 C ATOM 1104 O VAL A 75 -1.053 3.257 8.539 1.00 0.00 O ATOM 1105 CB VAL A 75 0.502 2.081 6.086 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.314 3.316 5.202 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.480 1.094 5.447 1.00 0.00 C ATOM 0 H VAL A 75 0.504 0.492 7.984 1.00 0.00 H new ATOM 0 HA VAL A 75 1.957 2.906 7.384 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.464 1.584 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.012 3.006 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.439 3.969 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.259 3.854 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.130 0.829 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.466 1.553 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.542 0.195 6.060 1.00 0.00 H new ATOM 1117 N ASP A 76 0.610 4.753 8.202 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.121 5.865 8.787 1.00 0.00 C ATOM 1119 C ASP A 76 -0.544 6.831 7.678 1.00 0.00 C ATOM 1120 O ASP A 76 0.275 7.595 7.170 1.00 0.00 O ATOM 1121 CB ASP A 76 0.752 6.636 9.779 1.00 0.00 C ATOM 1122 CG ASP A 76 2.043 7.211 9.194 1.00 0.00 C ATOM 1123 OD1 ASP A 76 2.406 6.772 8.081 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.638 8.075 9.872 1.00 0.00 O ATOM 0 H ASP A 76 1.543 4.987 7.863 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.989 5.462 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.165 7.454 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.009 5.973 10.605 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.856 6.763 7.327 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.397 7.623 6.288 1.00 0.00 C ATOM 1131 C PRO A 77 -2.572 9.055 6.797 1.00 0.00 C ATOM 1132 O PRO A 77 -2.507 10.006 6.020 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.710 6.972 5.884 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.081 6.038 7.024 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.855 5.870 7.907 1.00 0.00 C ATOM 0 HA PRO A 77 -1.732 7.715 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.485 7.722 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.602 6.423 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.912 6.448 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.407 5.073 6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.072 6.137 8.941 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.508 4.837 7.911 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.789 9.164 8.100 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.973 10.464 8.722 1.00 0.00 C ATOM 1145 C GLU A 78 -4.301 11.081 8.279 1.00 0.00 C ATOM 1146 O GLU A 78 -5.161 11.373 9.109 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.802 11.396 8.402 1.00 0.00 C ATOM 1148 CG GLU A 78 -0.785 11.409 9.544 1.00 0.00 C ATOM 1149 CD GLU A 78 -0.632 12.816 10.126 1.00 0.00 C ATOM 1150 OE1 GLU A 78 -1.676 13.388 10.509 1.00 0.00 O ATOM 1151 OE2 GLU A 78 0.524 13.288 10.175 1.00 0.00 O ATOM 0 H GLU A 78 -2.841 8.373 8.742 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.001 10.327 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.316 11.073 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.173 12.406 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.103 10.720 10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.180 11.055 9.181 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.428 11.261 6.972 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.637 11.837 6.410 1.00 0.00 C ATOM 1160 C GLY A 79 -5.560 11.888 4.882 1.00 0.00 C ATOM 1161 O GLY A 79 -5.987 12.865 4.268 1.00 0.00 O ATOM 0 H GLY A 79 -3.713 11.018 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.501 11.247 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.783 12.843 6.804 1.00 0.00 H new ATOM 1165 N ARG A 80 -5.014 10.824 4.313 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.876 10.735 2.870 1.00 0.00 C ATOM 1167 C ARG A 80 -5.700 9.564 2.329 1.00 0.00 C ATOM 1168 O ARG A 80 -5.419 8.407 2.640 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.412 10.549 2.466 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.602 11.816 2.745 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.625 11.599 3.903 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.296 12.148 3.553 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.833 11.862 4.216 1.00 0.00 C ATOM 1174 NH1 ARG A 80 0.800 11.031 5.267 1.00 0.00 N ATOM 1175 NH2 ARG A 80 1.994 12.406 3.828 1.00 0.00 N ATOM 0 H ARG A 80 -4.662 10.016 4.826 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.242 11.669 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.983 9.711 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.352 10.301 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.052 12.105 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.277 12.638 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.002 12.084 4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.541 10.535 4.125 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.236 12.784 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.084 10.617 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.659 10.813 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.019 13.038 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.853 12.188 4.333 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.700 9.904 1.530 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.566 8.895 0.943 1.00 0.00 C ATOM 1191 C ALA A 81 -6.725 7.937 0.098 1.00 0.00 C ATOM 1192 O ALA A 81 -6.767 6.724 0.301 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.667 9.578 0.129 1.00 0.00 C ATOM 0 H ALA A 81 -6.930 10.864 1.275 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.053 8.307 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.316 8.821 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.254 10.225 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.216 10.175 -0.664 1.00 0.00 H new ATOM 1199 N ASP A 82 -5.981 8.516 -0.833 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.132 7.729 -1.710 1.00 0.00 C ATOM 1201 C ASP A 82 -4.456 6.621 -0.899 1.00 0.00 C ATOM 1202 O ASP A 82 -4.271 5.510 -1.393 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.035 8.592 -2.336 1.00 0.00 C ATOM 1204 CG ASP A 82 -3.699 9.870 -1.565 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -4.439 10.859 -1.754 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -2.709 9.829 -0.803 1.00 0.00 O ATOM 0 H ASP A 82 -5.949 9.522 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.758 7.313 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.130 7.992 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.340 8.865 -3.346 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.106 6.963 0.332 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.455 6.011 1.216 1.00 0.00 C ATOM 1213 C VAL A 83 -4.518 5.150 1.902 1.00 0.00 C ATOM 1214 O VAL A 83 -4.489 3.924 1.800 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.554 6.750 2.207 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.797 5.764 3.100 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.585 7.682 1.477 1.00 0.00 C ATOM 0 H VAL A 83 -4.261 7.886 0.738 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.810 5.341 0.648 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.190 7.362 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.164 6.315 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.510 5.159 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.177 5.115 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.956 8.195 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.958 7.099 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.150 8.417 0.903 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.430 5.825 2.586 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.500 5.136 3.288 1.00 0.00 C ATOM 1229 C ARG A 84 -7.127 4.071 2.387 1.00 0.00 C ATOM 1230 O ARG A 84 -7.176 2.896 2.749 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.584 6.117 3.738 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.034 7.111 4.763 1.00 0.00 C ATOM 1233 CD ARG A 84 -7.911 8.362 4.839 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.496 8.489 6.192 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.585 7.825 6.605 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.212 6.984 5.772 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -10.045 8.002 7.851 1.00 0.00 N ATOM 0 H ARG A 84 -5.450 6.841 2.669 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.067 4.662 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.972 6.657 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.419 5.567 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.984 6.637 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.016 7.392 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.318 9.246 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.705 8.305 4.094 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.043 9.121 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.861 6.849 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.041 6.479 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.567 8.642 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.874 7.497 8.165 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.592 4.519 1.230 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.214 3.619 0.274 1.00 0.00 C ATOM 1253 C GLN A 85 -7.328 2.393 0.044 1.00 0.00 C ATOM 1254 O GLN A 85 -7.802 1.260 0.106 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.509 4.337 -1.044 1.00 0.00 C ATOM 1256 CG GLN A 85 -7.372 4.131 -2.047 1.00 0.00 C ATOM 1257 CD GLN A 85 -7.722 4.739 -3.407 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -8.763 5.348 -3.593 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -6.799 4.541 -4.343 1.00 0.00 N ATOM 0 H GLN A 85 -7.550 5.494 0.933 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.165 3.283 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.442 3.963 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.647 5.402 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.459 4.587 -1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.172 3.066 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.950 4.022 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.940 4.908 -5.284 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.057 2.662 -0.215 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.100 1.595 -0.454 1.00 0.00 C ATOM 1270 C ALA A 86 -5.032 0.691 0.778 1.00 0.00 C ATOM 1271 O ALA A 86 -5.070 -0.533 0.657 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.740 2.199 -0.810 1.00 0.00 C ATOM 0 H ALA A 86 -5.667 3.603 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.414 0.980 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.022 1.399 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.836 2.808 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.391 2.821 0.014 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.933 1.328 1.936 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.860 0.597 3.189 1.00 0.00 C ATOM 1280 C ARG A 87 -6.092 -0.295 3.356 1.00 0.00 C ATOM 1281 O ARG A 87 -5.973 -1.516 3.437 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.766 1.552 4.380 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.647 1.129 5.335 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.082 2.336 6.086 1.00 0.00 C ATOM 1285 NE ARG A 87 -2.980 2.031 7.531 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.022 2.022 8.373 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.251 2.302 7.920 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -3.835 1.733 9.668 1.00 0.00 N ATOM 0 H ARG A 87 -4.902 2.343 2.032 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.962 -0.019 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.582 2.566 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.717 1.569 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.029 0.399 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.851 0.640 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.100 2.594 5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.725 3.203 5.933 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.058 1.814 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.393 2.522 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.045 2.295 8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.899 1.520 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.629 1.726 10.309 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.248 0.351 3.402 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.501 -0.368 3.558 1.00 0.00 C ATOM 1304 C ARG A 88 -8.629 -1.451 2.485 1.00 0.00 C ATOM 1305 O ARG A 88 -9.296 -2.463 2.695 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.697 0.581 3.461 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.325 0.531 2.066 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.499 1.506 1.958 1.00 0.00 C ATOM 1309 NE ARG A 88 -11.426 2.246 0.678 1.00 0.00 N ATOM 1310 CZ ARG A 88 -11.789 1.736 -0.506 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -12.253 0.481 -0.582 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -11.689 2.481 -1.616 1.00 0.00 N ATOM 0 H ARG A 88 -7.343 1.364 3.334 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.497 -0.829 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.442 0.310 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.377 1.599 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.573 0.777 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.668 -0.482 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.441 0.962 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.480 2.206 2.794 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.077 3.204 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.330 -0.086 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.529 0.093 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.336 3.436 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.965 2.092 -2.518 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.980 -1.200 1.357 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.013 -2.141 0.250 1.00 0.00 C ATOM 1328 C ASP A 89 -7.085 -3.317 0.558 1.00 0.00 C ATOM 1329 O ASP A 89 -7.528 -4.463 0.618 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.531 -1.484 -1.045 1.00 0.00 C ATOM 1331 CG ASP A 89 -7.732 -2.322 -2.309 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.270 -3.442 -2.168 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -7.343 -1.825 -3.388 1.00 0.00 O ATOM 0 H ASP A 89 -7.429 -0.359 1.186 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.042 -2.477 0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.053 -0.535 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.470 -1.254 -0.945 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.814 -2.993 0.746 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.819 -4.009 1.046 1.00 0.00 C ATOM 1340 C GLY A 90 -5.265 -4.882 2.222 1.00 0.00 C ATOM 1341 O GLY A 90 -5.156 -6.106 2.167 1.00 0.00 O ATOM 0 H GLY A 90 -5.450 -2.041 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.654 -4.633 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.867 -3.533 1.282 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.757 -4.218 3.257 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.219 -4.917 4.444 1.00 0.00 C ATOM 1347 C VAL A 91 -7.419 -5.794 4.079 1.00 0.00 C ATOM 1348 O VAL A 91 -7.458 -6.974 4.424 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.529 -3.913 5.556 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.254 -4.591 6.720 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.255 -3.215 6.035 1.00 0.00 C ATOM 0 H VAL A 91 -5.846 -3.203 3.298 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.439 -5.575 4.827 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.193 -3.152 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.463 -3.855 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.191 -5.019 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.625 -5.382 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.503 -2.507 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.556 -3.958 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.796 -2.683 5.202 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.368 -5.184 3.384 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.566 -5.894 2.969 1.00 0.00 C ATOM 1363 C ARG A 92 -9.196 -7.084 2.081 1.00 0.00 C ATOM 1364 O ARG A 92 -9.857 -8.120 2.119 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.515 -4.971 2.203 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.476 -5.778 1.327 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.688 -4.936 0.923 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.714 -5.796 0.292 1.00 0.00 N ATOM 1369 CZ ARG A 92 -15.011 -5.474 0.200 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -15.450 -4.310 0.698 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.871 -6.316 -0.390 1.00 0.00 N ATOM 0 H ARG A 92 -8.332 -4.206 3.098 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.070 -6.249 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.083 -4.362 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.939 -4.286 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.956 -6.125 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.808 -6.665 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.106 -4.441 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.382 -4.152 0.230 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.415 -6.690 -0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.796 -3.669 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.438 -4.065 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.538 -7.202 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.859 -6.070 -0.460 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.140 -6.896 1.303 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.674 -7.941 0.408 1.00 0.00 C ATOM 1387 C LYS A 93 -7.205 -9.141 1.232 1.00 0.00 C ATOM 1388 O LYS A 93 -7.832 -10.199 1.207 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.609 -7.395 -0.545 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.773 -8.529 -1.141 1.00 0.00 C ATOM 1391 CD LYS A 93 -4.996 -8.050 -2.369 1.00 0.00 C ATOM 1392 CE LYS A 93 -4.957 -9.132 -3.450 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.331 -8.564 -4.765 1.00 0.00 N ATOM 0 H LYS A 93 -7.594 -6.035 1.274 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.488 -8.289 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.087 -6.831 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.959 -6.701 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.078 -8.906 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.424 -9.358 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.460 -7.148 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.980 -7.784 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.958 -9.564 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.640 -9.940 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.300 -9.311 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.293 -8.173 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.663 -7.808 -5.019 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.106 -8.936 1.944 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.546 -9.989 2.775 1.00 0.00 C ATOM 1409 C VAL A 94 -6.677 -10.701 3.519 1.00 0.00 C ATOM 1410 O VAL A 94 -6.783 -11.926 3.469 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.486 -9.407 3.712 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.826 -10.508 4.544 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.441 -8.609 2.930 1.00 0.00 C ATOM 0 H VAL A 94 -5.589 -8.057 1.963 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.042 -10.735 2.160 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.985 -8.722 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.077 -10.067 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.583 -11.014 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.348 -11.228 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.699 -8.206 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.949 -9.262 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.929 -7.789 2.403 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.493 -9.904 4.193 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.612 -10.444 4.947 1.00 0.00 C ATOM 1425 C GLN A 95 -9.346 -11.503 4.122 1.00 0.00 C ATOM 1426 O GLN A 95 -9.518 -12.635 4.571 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.566 -9.330 5.384 1.00 0.00 C ATOM 1428 CG GLN A 95 -8.913 -8.430 6.435 1.00 0.00 C ATOM 1429 CD GLN A 95 -9.709 -8.448 7.742 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -10.079 -9.489 8.260 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.950 -7.240 8.245 1.00 0.00 N ATOM 0 H GLN A 95 -7.402 -8.889 4.233 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.223 -10.919 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.855 -8.734 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.479 -9.766 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.892 -8.764 6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.850 -7.410 6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.611 -6.409 7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.473 -7.145 9.115 1.00 0.00 H new ATOM 1440 N THR A 96 -9.760 -11.097 2.931 1.00 0.00 N ATOM 1441 CA THR A 96 -10.472 -11.997 2.040 1.00 0.00 C ATOM 1442 C THR A 96 -9.677 -13.289 1.839 1.00 0.00 C ATOM 1443 O THR A 96 -10.257 -14.364 1.700 1.00 0.00 O ATOM 1444 CB THR A 96 -10.753 -11.248 0.736 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.727 -10.273 1.099 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.467 -12.120 -0.299 1.00 0.00 C ATOM 0 H THR A 96 -9.616 -10.157 2.562 1.00 0.00 H new ATOM 0 HA THR A 96 -11.427 -12.303 2.468 1.00 0.00 H new ATOM 0 HB THR A 96 -9.815 -10.884 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.279 -9.488 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.642 -11.540 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.847 -12.985 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.421 -12.458 0.106 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.360 -13.140 1.830 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.479 -14.280 1.649 1.00 0.00 C ATOM 1456 C ILE A 97 -7.554 -15.179 2.884 1.00 0.00 C ATOM 1457 O ILE A 97 -7.600 -16.403 2.765 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.061 -13.814 1.312 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.077 -12.773 0.192 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.158 -15.003 0.977 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.667 -12.252 -0.094 1.00 0.00 C ATOM 0 H ILE A 97 -7.882 -12.246 1.945 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.803 -14.880 0.798 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.642 -13.330 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.496 -13.214 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.725 -11.943 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.156 -14.644 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.110 -15.676 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.564 -15.537 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.707 -11.513 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.260 -11.790 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.027 -13.081 -0.397 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.565 -14.538 4.044 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.634 -15.264 5.300 1.00 0.00 C ATOM 1475 C LEU A 98 -8.954 -16.033 5.368 1.00 0.00 C ATOM 1476 O LEU A 98 -8.970 -17.219 5.694 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.413 -14.315 6.480 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.956 -14.069 6.879 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.789 -12.690 7.521 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.439 -15.188 7.785 1.00 0.00 C ATOM 0 H LEU A 98 -7.527 -13.523 4.140 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.833 -16.001 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.870 -13.355 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.944 -14.713 7.345 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.348 -14.080 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.745 -12.540 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.092 -11.919 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.411 -12.627 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.402 -14.989 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.046 -15.234 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.501 -16.140 7.258 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.031 -15.326 5.056 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.353 -15.927 5.077 1.00 0.00 C ATOM 1494 C GLU A 99 -11.426 -17.085 4.081 1.00 0.00 C ATOM 1495 O GLU A 99 -12.187 -18.032 4.278 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.434 -14.884 4.786 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.334 -14.672 6.005 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.533 -13.789 5.654 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.488 -14.337 5.062 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -14.468 -12.586 5.986 1.00 0.00 O ATOM 0 H GLU A 99 -10.014 -14.342 4.787 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.535 -16.322 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.967 -13.940 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.036 -15.206 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.684 -15.636 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.761 -14.210 6.809 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.624 -16.973 3.032 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.588 -17.999 2.004 1.00 0.00 C ATOM 1509 C LYS A 100 -9.740 -19.175 2.493 1.00 0.00 C ATOM 1510 O LYS A 100 -10.138 -20.331 2.359 1.00 0.00 O ATOM 1511 CB LYS A 100 -10.114 -17.410 0.674 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.042 -18.488 -0.409 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.092 -17.865 -1.806 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.729 -17.289 -2.198 1.00 0.00 C ATOM 1515 NZ LYS A 100 -7.896 -18.325 -2.849 1.00 0.00 N ATOM 0 H LYS A 100 -9.994 -16.187 2.872 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.590 -18.384 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.795 -16.619 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.133 -16.954 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.122 -19.062 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.870 -19.186 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.396 -18.618 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.845 -17.077 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.865 -16.445 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.220 -16.908 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.891 -18.088 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.088 -19.249 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.123 -18.367 -3.863 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.585 -18.839 3.050 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.677 -19.852 3.559 1.00 0.00 C ATOM 1531 C LEU A 101 -8.453 -20.826 4.448 1.00 0.00 C ATOM 1532 O LEU A 101 -8.637 -21.988 4.089 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.483 -19.199 4.258 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.177 -19.996 4.239 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.415 -19.830 5.556 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -5.436 -21.467 3.908 1.00 0.00 C ATOM 0 H LEU A 101 -8.258 -17.879 3.160 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.257 -20.434 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.301 -18.230 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.755 -19.009 5.296 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.544 -19.595 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.491 -20.406 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.180 -18.777 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.031 -20.188 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.491 -22.010 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.097 -21.898 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.905 -21.542 2.927 1.00 0.00 H new ATOM 1548 N GLU A 102 -8.888 -20.316 5.591 1.00 0.00 N ATOM 1549 CA GLU A 102 -9.640 -21.126 6.534 1.00 0.00 C ATOM 1550 C GLU A 102 -10.610 -22.045 5.789 1.00 0.00 C ATOM 1551 O GLU A 102 -10.781 -23.205 6.160 1.00 0.00 O ATOM 1552 CB GLU A 102 -10.383 -20.246 7.542 1.00 0.00 C ATOM 1553 CG GLU A 102 -11.272 -19.226 6.828 1.00 0.00 C ATOM 1554 CD GLU A 102 -12.198 -18.518 7.819 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -13.213 -19.143 8.194 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.870 -17.367 8.179 1.00 0.00 O ATOM 0 H GLU A 102 -8.734 -19.352 5.885 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.938 -21.746 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.992 -20.870 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.664 -19.727 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.650 -18.491 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.866 -19.728 6.064 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.220 -21.492 4.751 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.168 -22.248 3.950 1.00 0.00 C ATOM 1565 C GLN A 103 -11.439 -23.315 3.130 1.00 0.00 C ATOM 1566 O GLN A 103 -11.852 -24.473 3.106 1.00 0.00 O ATOM 1567 CB GLN A 103 -12.982 -21.321 3.044 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.026 -20.545 3.850 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.441 -21.020 3.513 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.650 -21.905 2.700 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.398 -20.383 4.183 1.00 0.00 N ATOM 0 H GLN A 103 -11.076 -20.529 4.446 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.865 -22.748 4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.315 -20.623 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.477 -21.906 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.839 -20.675 4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.936 -19.480 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.153 -19.651 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.377 -20.627 4.030 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.368 -22.886 2.479 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.578 -23.789 1.661 1.00 0.00 C ATOM 1582 C LYS A 104 -9.155 -24.995 2.502 1.00 0.00 C ATOM 1583 O LYS A 104 -9.071 -26.112 1.995 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.405 -23.045 1.020 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.881 -21.773 0.316 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.727 -21.894 -1.201 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.470 -23.122 -1.731 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.443 -23.146 -3.210 1.00 0.00 N ATOM 0 H LYS A 104 -10.029 -21.924 2.502 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.174 -24.171 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.671 -22.789 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.905 -23.696 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.925 -21.585 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.308 -20.918 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.113 -20.995 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.670 -21.965 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.011 -24.029 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.502 -23.109 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.330 -23.555 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.339 -22.176 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.641 -23.723 -3.533 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.901 -24.728 3.775 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.489 -25.777 4.692 1.00 0.00 C ATOM 1604 C ALA A 105 -9.700 -26.641 5.049 1.00 0.00 C ATOM 1605 O ALA A 105 -9.593 -27.864 5.127 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.836 -25.150 5.925 1.00 0.00 C ATOM 0 H ALA A 105 -8.973 -23.800 4.193 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.748 -26.426 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.527 -25.937 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.964 -24.571 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.551 -24.494 6.422 1.00 0.00 H new ATOM 1612 N SER A 106 -10.824 -25.971 5.256 1.00 0.00 N ATOM 1613 CA SER A 106 -12.054 -26.662 5.603 1.00 0.00 C ATOM 1614 C SER A 106 -12.665 -27.303 4.354 1.00 0.00 C ATOM 1615 O SER A 106 -13.715 -27.938 4.429 1.00 0.00 O ATOM 1616 CB SER A 106 -13.057 -25.708 6.254 1.00 0.00 C ATOM 1617 OG SER A 106 -14.186 -26.399 6.783 1.00 0.00 O ATOM 0 H SER A 106 -10.909 -24.957 5.190 1.00 0.00 H new ATOM 0 HA SER A 106 -11.815 -27.443 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.564 -25.154 7.053 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.392 -24.977 5.518 1.00 0.00 H new ATOM 0 HG SER A 106 -14.382 -27.180 6.225 1.00 0.00 H new ATOM 1623 N GLY A 107 -11.980 -27.114 3.236 1.00 0.00 N ATOM 1624 CA GLY A 107 -12.441 -27.665 1.974 1.00 0.00 C ATOM 1625 C GLY A 107 -12.803 -26.552 0.989 1.00 0.00 C ATOM 1626 O GLY A 107 -13.494 -25.600 1.348 1.00 0.00 O ATOM 0 H GLY A 107 -11.109 -26.587 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.664 -28.298 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.310 -28.300 2.146 1.00 0.00 H new ATOM 1630 N PRO A 108 -12.306 -26.712 -0.267 1.00 0.00 N ATOM 1631 CA PRO A 108 -12.570 -25.731 -1.307 1.00 0.00 C ATOM 1632 C PRO A 108 -14.005 -25.851 -1.822 1.00 0.00 C ATOM 1633 O PRO A 108 -14.760 -26.713 -1.374 1.00 0.00 O ATOM 1634 CB PRO A 108 -11.528 -26.006 -2.380 1.00 0.00 C ATOM 1635 CG PRO A 108 -11.022 -27.415 -2.118 1.00 0.00 C ATOM 1636 CD PRO A 108 -11.483 -27.826 -0.729 1.00 0.00 C ATOM 0 HA PRO A 108 -12.491 -24.705 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.963 -25.926 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.714 -25.283 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.409 -28.105 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -9.935 -27.448 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -12.054 -28.754 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.636 -27.995 -0.064 1.00 0.00 H new ATOM 1644 N SER A 109 -14.340 -24.974 -2.757 1.00 0.00 N ATOM 1645 CA SER A 109 -15.671 -24.971 -3.339 1.00 0.00 C ATOM 1646 C SER A 109 -15.732 -23.980 -4.503 1.00 0.00 C ATOM 1647 O SER A 109 -15.900 -22.780 -4.293 1.00 0.00 O ATOM 1648 CB SER A 109 -16.729 -24.622 -2.290 1.00 0.00 C ATOM 1649 OG SER A 109 -17.957 -24.213 -2.886 1.00 0.00 O ATOM 0 H SER A 109 -13.712 -24.260 -3.126 1.00 0.00 H new ATOM 0 HA SER A 109 -15.883 -25.973 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.906 -25.488 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.354 -23.825 -1.648 1.00 0.00 H new ATOM 0 HG SER A 109 -18.607 -24.000 -2.184 1.00 0.00 H new ATOM 1655 N SER A 110 -15.591 -24.520 -5.705 1.00 0.00 N ATOM 1656 CA SER A 110 -15.627 -23.698 -6.903 1.00 0.00 C ATOM 1657 C SER A 110 -15.700 -24.588 -8.145 1.00 0.00 C ATOM 1658 O SER A 110 -14.711 -25.214 -8.524 1.00 0.00 O ATOM 1659 CB SER A 110 -14.405 -22.780 -6.979 1.00 0.00 C ATOM 1660 OG SER A 110 -13.184 -23.510 -6.899 1.00 0.00 O ATOM 0 H SER A 110 -15.452 -25.516 -5.875 1.00 0.00 H new ATOM 0 HA SER A 110 -16.517 -23.070 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 110 -14.431 -22.218 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.447 -22.053 -6.168 1.00 0.00 H new ATOM 0 HG SER A 110 -13.275 -24.355 -7.387 1.00 0.00 H new ATOM 1666 N GLY A 111 -16.881 -24.616 -8.745 1.00 0.00 N ATOM 1667 CA GLY A 111 -17.096 -25.418 -9.938 1.00 0.00 C ATOM 1668 C GLY A 111 -18.559 -25.854 -10.048 1.00 0.00 C ATOM 1669 O GLY A 111 -19.369 -25.169 -10.670 1.00 0.00 O ATOM 0 H GLY A 111 -17.699 -24.096 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.816 -24.844 -10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.452 -26.297 -9.911 1.00 0.00 H new TER 1673 GLY A 111