USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 45 TYR OH : rot -83:sc= -1.45! USER MOD Set 1.2: A 56 TYR OH : rot -79:sc= -0.261 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.461 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 71:sc= 0.00369 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 53:sc= 0.0645 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.129) USER MOD Single : A 31 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0464 X(o=-0.046,f=0.17) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0906 K(o=-0.091,f=-2.1) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= 0.118 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 14:sc= 0.853 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 64 THR OG1 : rot -46:sc= 0.697 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.042) USER MOD Single : A 67 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 15:sc= -1.06 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -10:sc= -1.57 USER MOD Single : A 83 HIS : no HE2:sc= -7.05! C(o=-7!,f=-7.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.08 K(o=-2.1,f=-7.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.437 4.437 -0.220 1.00 0.00 N ATOM 2 CA GLY A 1 31.168 4.710 0.508 1.00 0.00 C ATOM 3 C GLY A 1 30.782 3.584 1.447 1.00 0.00 C ATOM 4 O GLY A 1 29.648 3.108 1.423 1.00 0.00 O ATOM 0 H1 GLY A 1 32.656 5.237 -0.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.210 4.313 0.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.333 3.571 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.271 5.634 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.366 4.868 -0.213 1.00 0.00 H new ATOM 10 N SER A 2 31.730 3.156 2.275 1.00 0.00 N ATOM 11 CA SER A 2 31.485 2.078 3.227 1.00 0.00 C ATOM 12 C SER A 2 32.139 2.380 4.571 1.00 0.00 C ATOM 13 O SER A 2 33.236 2.936 4.628 1.00 0.00 O ATOM 14 CB SER A 2 32.012 0.753 2.675 1.00 0.00 C ATOM 15 OG SER A 2 31.354 0.404 1.469 1.00 0.00 O ATOM 0 H SER A 2 32.675 3.539 2.306 1.00 0.00 H new ATOM 0 HA SER A 2 30.409 1.997 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.085 0.830 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.867 -0.036 3.413 1.00 0.00 H new ATOM 0 HG SER A 2 31.710 -0.446 1.136 1.00 0.00 H new ATOM 21 N SER A 3 31.459 2.010 5.651 1.00 0.00 N ATOM 22 CA SER A 3 31.974 2.240 6.996 1.00 0.00 C ATOM 23 C SER A 3 32.540 0.955 7.590 1.00 0.00 C ATOM 24 O SER A 3 31.798 0.118 8.104 1.00 0.00 O ATOM 25 CB SER A 3 30.870 2.791 7.900 1.00 0.00 C ATOM 26 OG SER A 3 31.377 3.776 8.783 1.00 0.00 O ATOM 0 H SER A 3 30.549 1.549 5.621 1.00 0.00 H new ATOM 0 HA SER A 3 32.779 2.972 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.076 3.220 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.426 1.978 8.474 1.00 0.00 H new ATOM 0 HG SER A 3 30.651 4.113 9.348 1.00 0.00 H new ATOM 32 N GLY A 4 33.858 0.804 7.516 1.00 0.00 N ATOM 33 CA GLY A 4 34.501 -0.382 8.050 1.00 0.00 C ATOM 34 C GLY A 4 34.493 -0.413 9.566 1.00 0.00 C ATOM 35 O GLY A 4 33.871 0.432 10.208 1.00 0.00 O ATOM 0 H GLY A 4 34.493 1.483 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.995 -1.269 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.530 -0.425 7.694 1.00 0.00 H new ATOM 39 N SER A 5 35.186 -1.392 10.140 1.00 0.00 N ATOM 40 CA SER A 5 35.256 -1.532 11.590 1.00 0.00 C ATOM 41 C SER A 5 36.342 -2.525 11.990 1.00 0.00 C ATOM 42 O SER A 5 36.863 -3.262 11.152 1.00 0.00 O ATOM 43 CB SER A 5 33.904 -1.983 12.146 1.00 0.00 C ATOM 44 OG SER A 5 33.566 -1.262 13.317 1.00 0.00 O ATOM 0 H SER A 5 35.707 -2.100 9.623 1.00 0.00 H new ATOM 0 HA SER A 5 35.507 -0.559 12.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.131 -1.839 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.937 -3.049 12.369 1.00 0.00 H new ATOM 0 HG SER A 5 32.697 -1.569 13.651 1.00 0.00 H new ATOM 50 N SER A 6 36.680 -2.540 13.276 1.00 0.00 N ATOM 51 CA SER A 6 37.704 -3.442 13.788 1.00 0.00 C ATOM 52 C SER A 6 37.075 -4.587 14.575 1.00 0.00 C ATOM 53 O SER A 6 37.335 -5.758 14.302 1.00 0.00 O ATOM 54 CB SER A 6 38.689 -2.679 14.674 1.00 0.00 C ATOM 55 OG SER A 6 38.131 -2.418 15.951 1.00 0.00 O ATOM 0 H SER A 6 36.259 -1.937 13.982 1.00 0.00 H new ATOM 0 HA SER A 6 38.242 -3.861 12.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 39.606 -3.258 14.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 38.962 -1.739 14.194 1.00 0.00 H new ATOM 0 HG SER A 6 38.781 -1.931 16.499 1.00 0.00 H new ATOM 61 N GLY A 7 36.245 -4.239 15.554 1.00 0.00 N ATOM 62 CA GLY A 7 35.591 -5.249 16.366 1.00 0.00 C ATOM 63 C GLY A 7 34.082 -5.097 16.374 1.00 0.00 C ATOM 64 O GLY A 7 33.374 -5.840 15.694 1.00 0.00 O ATOM 0 H GLY A 7 36.014 -3.276 15.799 1.00 0.00 H new ATOM 0 HA2 GLY A 7 35.852 -6.238 15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 7 35.965 -5.188 17.388 1.00 0.00 H new ATOM 68 N LYS A 8 33.590 -4.131 17.143 1.00 0.00 N ATOM 69 CA LYS A 8 32.157 -3.883 17.235 1.00 0.00 C ATOM 70 C LYS A 8 31.844 -2.410 16.990 1.00 0.00 C ATOM 71 O LYS A 8 31.038 -2.073 16.123 1.00 0.00 O ATOM 72 CB LYS A 8 31.627 -4.309 18.607 1.00 0.00 C ATOM 73 CG LYS A 8 32.516 -3.881 19.764 1.00 0.00 C ATOM 74 CD LYS A 8 32.231 -4.694 21.016 1.00 0.00 C ATOM 75 CE LYS A 8 33.416 -4.685 21.969 1.00 0.00 C ATOM 76 NZ LYS A 8 33.443 -5.897 22.833 1.00 0.00 N ATOM 0 H LYS A 8 34.163 -3.507 17.711 1.00 0.00 H new ATOM 0 HA LYS A 8 31.662 -4.475 16.465 1.00 0.00 H new ATOM 0 HB2 LYS A 8 30.632 -3.888 18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 8 31.519 -5.394 18.625 1.00 0.00 H new ATOM 0 HG2 LYS A 8 33.563 -3.999 19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 8 32.359 -2.823 19.973 1.00 0.00 H new ATOM 0 HD2 LYS A 8 31.354 -4.290 21.521 1.00 0.00 H new ATOM 0 HD3 LYS A 8 31.994 -5.721 20.738 1.00 0.00 H new ATOM 0 HE2 LYS A 8 34.342 -4.627 21.397 1.00 0.00 H new ATOM 0 HE3 LYS A 8 33.372 -3.794 22.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 34.266 -5.852 23.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 32.571 -5.940 23.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 33.511 -6.747 22.237 1.00 0.00 H new ATOM 90 N SER A 9 32.488 -1.537 17.758 1.00 0.00 N ATOM 91 CA SER A 9 32.282 -0.098 17.624 1.00 0.00 C ATOM 92 C SER A 9 30.800 0.256 17.727 1.00 0.00 C ATOM 93 O SER A 9 30.107 0.363 16.715 1.00 0.00 O ATOM 94 CB SER A 9 32.844 0.396 16.290 1.00 0.00 C ATOM 95 OG SER A 9 33.488 1.649 16.440 1.00 0.00 O ATOM 0 H SER A 9 33.158 -1.801 18.481 1.00 0.00 H new ATOM 0 HA SER A 9 32.811 0.395 18.440 1.00 0.00 H new ATOM 0 HB2 SER A 9 33.551 -0.335 15.897 1.00 0.00 H new ATOM 0 HB3 SER A 9 32.037 0.483 15.562 1.00 0.00 H new ATOM 0 HG SER A 9 33.840 1.942 15.573 1.00 0.00 H new ATOM 101 N PRO A 10 30.293 0.444 18.958 1.00 0.00 N ATOM 102 CA PRO A 10 28.885 0.788 19.188 1.00 0.00 C ATOM 103 C PRO A 10 28.447 2.003 18.376 1.00 0.00 C ATOM 104 O PRO A 10 28.541 3.139 18.842 1.00 0.00 O ATOM 105 CB PRO A 10 28.833 1.099 20.685 1.00 0.00 C ATOM 106 CG PRO A 10 29.975 0.341 21.270 1.00 0.00 C ATOM 107 CD PRO A 10 31.049 0.336 20.219 1.00 0.00 C ATOM 0 HA PRO A 10 28.215 -0.016 18.884 1.00 0.00 H new ATOM 0 HB2 PRO A 10 28.931 2.169 20.871 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.885 0.786 21.122 1.00 0.00 H new ATOM 0 HG2 PRO A 10 30.328 0.813 22.187 1.00 0.00 H new ATOM 0 HG3 PRO A 10 29.677 -0.675 21.529 1.00 0.00 H new ATOM 0 HD2 PRO A 10 31.740 1.170 20.346 1.00 0.00 H new ATOM 0 HD3 PRO A 10 31.642 -0.578 20.255 1.00 0.00 H new ATOM 115 N SER A 11 27.970 1.757 17.160 1.00 0.00 N ATOM 116 CA SER A 11 27.519 2.830 16.284 1.00 0.00 C ATOM 117 C SER A 11 26.247 2.430 15.543 1.00 0.00 C ATOM 118 O SER A 11 25.238 3.132 15.597 1.00 0.00 O ATOM 119 CB SER A 11 28.614 3.194 15.281 1.00 0.00 C ATOM 120 OG SER A 11 29.827 3.510 15.942 1.00 0.00 O ATOM 0 H SER A 11 27.886 0.823 16.759 1.00 0.00 H new ATOM 0 HA SER A 11 27.299 3.700 16.902 1.00 0.00 H new ATOM 0 HB2 SER A 11 28.776 2.361 14.596 1.00 0.00 H new ATOM 0 HB3 SER A 11 28.292 4.044 14.679 1.00 0.00 H new ATOM 0 HG SER A 11 30.219 2.693 16.315 1.00 0.00 H new ATOM 126 N SER A 12 26.305 1.297 14.850 1.00 0.00 N ATOM 127 CA SER A 12 25.157 0.803 14.098 1.00 0.00 C ATOM 128 C SER A 12 25.034 -0.714 14.228 1.00 0.00 C ATOM 129 O SER A 12 26.022 -1.408 14.467 1.00 0.00 O ATOM 130 CB SER A 12 25.282 1.190 12.623 1.00 0.00 C ATOM 131 OG SER A 12 26.357 0.504 12.005 1.00 0.00 O ATOM 0 H SER A 12 27.133 0.705 14.794 1.00 0.00 H new ATOM 0 HA SER A 12 24.259 1.261 14.512 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.352 0.959 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.436 2.266 12.538 1.00 0.00 H new ATOM 0 HG SER A 12 26.415 0.767 11.063 1.00 0.00 H new ATOM 137 N PRO A 13 23.810 -1.250 14.071 1.00 0.00 N ATOM 138 CA PRO A 13 23.561 -2.692 14.172 1.00 0.00 C ATOM 139 C PRO A 13 24.165 -3.465 13.005 1.00 0.00 C ATOM 140 O PRO A 13 23.496 -3.718 12.002 1.00 0.00 O ATOM 141 CB PRO A 13 22.035 -2.793 14.148 1.00 0.00 C ATOM 142 CG PRO A 13 21.585 -1.568 13.431 1.00 0.00 C ATOM 143 CD PRO A 13 22.576 -0.494 13.783 1.00 0.00 C ATOM 0 HA PRO A 13 24.014 -3.123 15.065 1.00 0.00 H new ATOM 0 HB2 PRO A 13 21.706 -3.696 13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 13 21.625 -2.834 15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 13 21.556 -1.735 12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 13 20.578 -1.285 13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 13 22.717 0.208 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 13 22.250 0.087 14.646 1.00 0.00 H new ATOM 151 N SER A 14 25.432 -3.840 13.141 1.00 0.00 N ATOM 152 CA SER A 14 26.126 -4.585 12.098 1.00 0.00 C ATOM 153 C SER A 14 26.595 -5.940 12.618 1.00 0.00 C ATOM 154 O SER A 14 27.116 -6.043 13.729 1.00 0.00 O ATOM 155 CB SER A 14 27.320 -3.783 11.578 1.00 0.00 C ATOM 156 OG SER A 14 27.419 -3.871 10.166 1.00 0.00 O ATOM 0 H SER A 14 26.000 -3.640 13.964 1.00 0.00 H new ATOM 0 HA SER A 14 25.427 -4.753 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.217 -2.739 11.874 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.238 -4.155 12.034 1.00 0.00 H new ATOM 0 HG SER A 14 28.189 -3.348 9.859 1.00 0.00 H new ATOM 162 N LEU A 15 26.407 -6.977 11.808 1.00 0.00 N ATOM 163 CA LEU A 15 26.811 -8.326 12.187 1.00 0.00 C ATOM 164 C LEU A 15 26.818 -9.250 10.973 1.00 0.00 C ATOM 165 O LEU A 15 26.669 -8.800 9.836 1.00 0.00 O ATOM 166 CB LEU A 15 25.872 -8.878 13.264 1.00 0.00 C ATOM 167 CG LEU A 15 26.456 -8.902 14.678 1.00 0.00 C ATOM 168 CD1 LEU A 15 25.343 -8.981 15.712 1.00 0.00 C ATOM 169 CD2 LEU A 15 27.417 -10.069 14.836 1.00 0.00 C ATOM 0 H LEU A 15 25.978 -6.909 10.885 1.00 0.00 H new ATOM 0 HA LEU A 15 27.823 -8.279 12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 15 24.961 -8.279 13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.584 -9.892 12.989 1.00 0.00 H new ATOM 0 HG LEU A 15 27.009 -7.977 14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.776 -8.997 16.712 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.692 -8.113 15.613 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.763 -9.890 15.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 27.823 -10.071 15.847 1.00 0.00 H new ATOM 0 HD22 LEU A 15 26.887 -11.004 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.231 -9.970 14.118 1.00 0.00 H new ATOM 181 N GLY A 16 26.992 -10.545 11.220 1.00 0.00 N ATOM 182 CA GLY A 16 27.014 -11.512 10.137 1.00 0.00 C ATOM 183 C GLY A 16 25.771 -11.445 9.271 1.00 0.00 C ATOM 184 O GLY A 16 24.695 -11.878 9.683 1.00 0.00 O ATOM 0 H GLY A 16 27.118 -10.942 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 16 27.894 -11.338 9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 16 27.109 -12.515 10.552 1.00 0.00 H new ATOM 188 N SER A 17 25.919 -10.901 8.068 1.00 0.00 N ATOM 189 CA SER A 17 24.801 -10.777 7.141 1.00 0.00 C ATOM 190 C SER A 17 24.209 -12.144 6.815 1.00 0.00 C ATOM 191 O SER A 17 24.820 -12.945 6.107 1.00 0.00 O ATOM 192 CB SER A 17 25.252 -10.085 5.853 1.00 0.00 C ATOM 193 OG SER A 17 26.630 -10.310 5.610 1.00 0.00 O ATOM 0 H SER A 17 26.803 -10.539 7.712 1.00 0.00 H new ATOM 0 HA SER A 17 24.031 -10.172 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.666 -10.456 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.062 -9.014 5.926 1.00 0.00 H new ATOM 0 HG SER A 17 26.814 -11.272 5.636 1.00 0.00 H new ATOM 199 N LEU A 18 23.015 -12.405 7.338 1.00 0.00 N ATOM 200 CA LEU A 18 22.337 -13.676 7.103 1.00 0.00 C ATOM 201 C LEU A 18 21.089 -13.476 6.250 1.00 0.00 C ATOM 202 O LEU A 18 20.747 -14.324 5.426 1.00 0.00 O ATOM 203 CB LEU A 18 21.961 -14.330 8.434 1.00 0.00 C ATOM 204 CG LEU A 18 23.118 -15.001 9.176 1.00 0.00 C ATOM 205 CD1 LEU A 18 22.914 -14.904 10.680 1.00 0.00 C ATOM 206 CD2 LEU A 18 23.253 -16.454 8.747 1.00 0.00 C ATOM 0 H LEU A 18 22.497 -11.754 7.927 1.00 0.00 H new ATOM 0 HA LEU A 18 23.021 -14.332 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.524 -13.571 9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.187 -15.075 8.249 1.00 0.00 H new ATOM 0 HG LEU A 18 24.041 -14.480 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 23.747 -15.387 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.866 -13.855 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.983 -15.400 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 24.081 -16.917 9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.330 -16.988 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.445 -16.501 7.675 1.00 0.00 H new ATOM 218 N GLN A 19 20.413 -12.350 6.453 1.00 0.00 N ATOM 219 CA GLN A 19 19.202 -12.039 5.703 1.00 0.00 C ATOM 220 C GLN A 19 19.517 -11.834 4.225 1.00 0.00 C ATOM 221 O GLN A 19 20.492 -11.170 3.875 1.00 0.00 O ATOM 222 CB GLN A 19 18.531 -10.789 6.273 1.00 0.00 C ATOM 223 CG GLN A 19 18.324 -10.841 7.778 1.00 0.00 C ATOM 224 CD GLN A 19 17.021 -10.197 8.209 1.00 0.00 C ATOM 225 OE1 GLN A 19 16.197 -10.822 8.877 1.00 0.00 O ATOM 226 NE2 GLN A 19 16.828 -8.940 7.827 1.00 0.00 N ATOM 0 H GLN A 19 20.684 -11.638 7.131 1.00 0.00 H new ATOM 0 HA GLN A 19 18.519 -12.883 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 19 19.138 -9.917 6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.565 -10.652 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.338 -11.880 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.155 -10.338 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.538 -8.460 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.970 -8.454 8.087 1.00 0.00 H new ATOM 235 N GLN A 20 18.685 -12.408 3.362 1.00 0.00 N ATOM 236 CA GLN A 20 18.875 -12.287 1.921 1.00 0.00 C ATOM 237 C GLN A 20 17.534 -12.202 1.201 1.00 0.00 C ATOM 238 O GLN A 20 17.332 -11.343 0.343 1.00 0.00 O ATOM 239 CB GLN A 20 19.678 -13.476 1.390 1.00 0.00 C ATOM 240 CG GLN A 20 20.668 -13.103 0.298 1.00 0.00 C ATOM 241 CD GLN A 20 21.647 -14.218 -0.006 1.00 0.00 C ATOM 242 OE1 GLN A 20 21.501 -14.936 -0.995 1.00 0.00 O ATOM 243 NE2 GLN A 20 22.656 -14.370 0.846 1.00 0.00 N ATOM 0 H GLN A 20 17.873 -12.961 3.635 1.00 0.00 H new ATOM 0 HA GLN A 20 19.429 -11.368 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.218 -13.937 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.988 -14.226 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.122 -12.846 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.219 -12.213 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.739 -13.752 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.347 -15.104 0.692 1.00 0.00 H new ATOM 252 N ARG A 21 16.619 -13.099 1.557 1.00 0.00 N ATOM 253 CA ARG A 21 15.295 -13.125 0.944 1.00 0.00 C ATOM 254 C ARG A 21 14.250 -12.532 1.884 1.00 0.00 C ATOM 255 O ARG A 21 14.006 -13.060 2.968 1.00 0.00 O ATOM 256 CB ARG A 21 14.910 -14.558 0.575 1.00 0.00 C ATOM 257 CG ARG A 21 16.023 -15.329 -0.117 1.00 0.00 C ATOM 258 CD ARG A 21 16.350 -14.738 -1.480 1.00 0.00 C ATOM 259 NE ARG A 21 16.472 -15.768 -2.508 1.00 0.00 N ATOM 260 CZ ARG A 21 15.433 -16.350 -3.101 1.00 0.00 C ATOM 261 NH1 ARG A 21 14.194 -16.005 -2.773 1.00 0.00 N ATOM 262 NH2 ARG A 21 15.633 -17.278 -4.027 1.00 0.00 N ATOM 0 H ARG A 21 16.770 -13.817 2.266 1.00 0.00 H new ATOM 0 HA ARG A 21 15.329 -12.520 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.618 -15.091 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.037 -14.534 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.916 -15.320 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.726 -16.371 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.570 -14.032 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.282 -14.176 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 21 17.409 -16.058 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.035 -15.290 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.401 -16.455 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.583 -17.545 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.837 -17.724 -4.482 1.00 0.00 H new ATOM 276 N GLU A 22 13.637 -11.432 1.460 1.00 0.00 N ATOM 277 CA GLU A 22 12.617 -10.768 2.263 1.00 0.00 C ATOM 278 C GLU A 22 11.252 -10.855 1.588 1.00 0.00 C ATOM 279 O GLU A 22 10.318 -11.448 2.130 1.00 0.00 O ATOM 280 CB GLU A 22 12.993 -9.302 2.492 1.00 0.00 C ATOM 281 CG GLU A 22 13.833 -9.077 3.737 1.00 0.00 C ATOM 282 CD GLU A 22 15.185 -9.761 3.659 1.00 0.00 C ATOM 283 OE1 GLU A 22 15.783 -9.770 2.563 1.00 0.00 O ATOM 284 OE2 GLU A 22 15.645 -10.287 4.694 1.00 0.00 O ATOM 0 H GLU A 22 13.829 -10.982 0.565 1.00 0.00 H new ATOM 0 HA GLU A 22 12.560 -11.276 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.541 -8.936 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.081 -8.709 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.979 -8.007 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.292 -9.447 4.608 1.00 0.00 H new ATOM 291 N GLY A 23 11.143 -10.261 0.404 1.00 0.00 N ATOM 292 CA GLY A 23 9.888 -10.284 -0.324 1.00 0.00 C ATOM 293 C GLY A 23 9.177 -8.945 -0.297 1.00 0.00 C ATOM 294 O GLY A 23 8.926 -8.346 -1.343 1.00 0.00 O ATOM 0 H GLY A 23 11.901 -9.764 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.077 -10.571 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.237 -11.046 0.104 1.00 0.00 H new ATOM 298 N ALA A 24 8.849 -8.475 0.903 1.00 0.00 N ATOM 299 CA ALA A 24 8.162 -7.201 1.063 1.00 0.00 C ATOM 300 C ALA A 24 9.132 -6.032 0.922 1.00 0.00 C ATOM 301 O ALA A 24 10.184 -6.005 1.560 1.00 0.00 O ATOM 302 CB ALA A 24 7.459 -7.146 2.410 1.00 0.00 C ATOM 0 H ALA A 24 9.049 -8.959 1.778 1.00 0.00 H new ATOM 0 HA ALA A 24 7.416 -7.117 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.950 -6.188 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.730 -7.954 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.193 -7.257 3.208 1.00 0.00 H new ATOM 308 N LYS A 25 8.771 -5.067 0.081 1.00 0.00 N ATOM 309 CA LYS A 25 9.609 -3.896 -0.144 1.00 0.00 C ATOM 310 C LYS A 25 9.299 -2.802 0.874 1.00 0.00 C ATOM 311 O LYS A 25 10.149 -2.439 1.688 1.00 0.00 O ATOM 312 CB LYS A 25 9.405 -3.364 -1.566 1.00 0.00 C ATOM 313 CG LYS A 25 10.615 -3.559 -2.466 1.00 0.00 C ATOM 314 CD LYS A 25 11.219 -2.229 -2.892 1.00 0.00 C ATOM 315 CE LYS A 25 10.828 -1.870 -4.317 1.00 0.00 C ATOM 316 NZ LYS A 25 11.816 -0.953 -4.949 1.00 0.00 N ATOM 0 H LYS A 25 7.903 -5.074 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 25 10.650 -4.194 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.546 -3.864 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.166 -2.302 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.367 -4.149 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.324 -4.126 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.887 -1.443 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.305 -2.280 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.745 -2.780 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.845 -1.400 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.336 -0.359 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.244 -0.348 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.559 -1.511 -5.415 1.00 0.00 H new ATOM 330 N ALA A 26 8.078 -2.282 0.822 1.00 0.00 N ATOM 331 CA ALA A 26 7.656 -1.231 1.740 1.00 0.00 C ATOM 332 C ALA A 26 6.847 -1.804 2.898 1.00 0.00 C ATOM 333 O ALA A 26 6.621 -3.012 2.973 1.00 0.00 O ATOM 334 CB ALA A 26 6.846 -0.178 0.998 1.00 0.00 C ATOM 0 H ALA A 26 7.363 -2.571 0.154 1.00 0.00 H new ATOM 0 HA ALA A 26 8.550 -0.763 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.537 0.601 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.457 0.262 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.963 -0.642 0.557 1.00 0.00 H new ATOM 340 N GLU A 27 6.413 -0.930 3.800 1.00 0.00 N ATOM 341 CA GLU A 27 5.629 -1.350 4.956 1.00 0.00 C ATOM 342 C GLU A 27 4.376 -0.494 5.103 1.00 0.00 C ATOM 343 O GLU A 27 4.154 0.439 4.329 1.00 0.00 O ATOM 344 CB GLU A 27 6.472 -1.264 6.230 1.00 0.00 C ATOM 345 CG GLU A 27 7.802 -1.993 6.129 1.00 0.00 C ATOM 346 CD GLU A 27 8.982 -1.045 6.038 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.861 -0.012 5.347 1.00 0.00 O ATOM 348 OE2 GLU A 27 10.027 -1.336 6.658 1.00 0.00 O ATOM 0 H GLU A 27 6.591 0.073 3.753 1.00 0.00 H new ATOM 0 HA GLU A 27 5.324 -2.385 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.658 -0.216 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.902 -1.678 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.925 -2.638 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.792 -2.640 5.252 1.00 0.00 H new ATOM 355 N VAL A 28 3.559 -0.815 6.101 1.00 0.00 N ATOM 356 CA VAL A 28 2.329 -0.075 6.350 1.00 0.00 C ATOM 357 C VAL A 28 2.626 1.364 6.756 1.00 0.00 C ATOM 358 O VAL A 28 2.822 1.659 7.934 1.00 0.00 O ATOM 359 CB VAL A 28 1.483 -0.742 7.451 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.135 -0.049 7.586 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.301 -2.225 7.163 1.00 0.00 C ATOM 0 H VAL A 28 3.727 -1.583 6.750 1.00 0.00 H new ATOM 0 HA VAL A 28 1.765 -0.079 5.417 1.00 0.00 H new ATOM 0 HB VAL A 28 2.013 -0.642 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.447 -0.535 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.289 0.998 7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.403 -0.113 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.701 -2.678 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.796 -2.350 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.276 -2.711 7.125 1.00 0.00 H new ATOM 371 N GLY A 29 2.662 2.256 5.771 1.00 0.00 N ATOM 372 CA GLY A 29 2.938 3.655 6.046 1.00 0.00 C ATOM 373 C GLY A 29 4.244 4.118 5.431 1.00 0.00 C ATOM 374 O GLY A 29 5.010 4.848 6.062 1.00 0.00 O ATOM 0 H GLY A 29 2.505 2.035 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.122 4.266 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.972 3.811 7.124 1.00 0.00 H new ATOM 378 N ASP A 30 4.500 3.693 4.199 1.00 0.00 N ATOM 379 CA ASP A 30 5.722 4.069 3.499 1.00 0.00 C ATOM 380 C ASP A 30 5.422 4.483 2.063 1.00 0.00 C ATOM 381 O ASP A 30 4.539 3.920 1.415 1.00 0.00 O ATOM 382 CB ASP A 30 6.717 2.906 3.509 1.00 0.00 C ATOM 383 CG ASP A 30 8.049 3.279 2.888 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.752 4.139 3.460 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.390 2.711 1.829 1.00 0.00 O ATOM 0 H ASP A 30 3.877 3.088 3.664 1.00 0.00 H new ATOM 0 HA ASP A 30 6.161 4.921 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.877 2.578 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.290 2.062 2.967 1.00 0.00 H new ATOM 390 N GLN A 31 6.162 5.470 1.569 1.00 0.00 N ATOM 391 CA GLN A 31 5.975 5.960 0.208 1.00 0.00 C ATOM 392 C GLN A 31 6.313 4.875 -0.810 1.00 0.00 C ATOM 393 O GLN A 31 7.329 4.191 -0.688 1.00 0.00 O ATOM 394 CB GLN A 31 6.844 7.195 -0.035 1.00 0.00 C ATOM 395 CG GLN A 31 6.138 8.506 0.270 1.00 0.00 C ATOM 396 CD GLN A 31 6.126 8.830 1.751 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.101 9.351 2.292 1.00 0.00 O ATOM 398 NE2 GLN A 31 5.018 8.522 2.415 1.00 0.00 N ATOM 0 H GLN A 31 6.897 5.947 2.091 1.00 0.00 H new ATOM 0 HA GLN A 31 4.927 6.234 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.741 7.124 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.170 7.201 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.630 9.314 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.112 8.456 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.234 8.091 1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.951 8.717 3.414 1.00 0.00 H new ATOM 407 N VAL A 32 5.456 4.725 -1.813 1.00 0.00 N ATOM 408 CA VAL A 32 5.664 3.724 -2.852 1.00 0.00 C ATOM 409 C VAL A 32 5.112 4.197 -4.192 1.00 0.00 C ATOM 410 O VAL A 32 4.469 5.244 -4.274 1.00 0.00 O ATOM 411 CB VAL A 32 5.001 2.383 -2.482 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.760 1.707 -1.350 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.543 2.596 -2.106 1.00 0.00 C ATOM 0 H VAL A 32 4.611 5.284 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 32 6.741 3.578 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 32 5.035 1.727 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.278 0.762 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.787 1.519 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.760 2.355 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.090 1.639 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.482 3.269 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.010 3.033 -2.950 1.00 0.00 H new ATOM 423 N LEU A 33 5.368 3.421 -5.239 1.00 0.00 N ATOM 424 CA LEU A 33 4.897 3.761 -6.577 1.00 0.00 C ATOM 425 C LEU A 33 4.283 2.545 -7.263 1.00 0.00 C ATOM 426 O LEU A 33 4.991 1.616 -7.651 1.00 0.00 O ATOM 427 CB LEU A 33 6.048 4.310 -7.422 1.00 0.00 C ATOM 428 CG LEU A 33 5.622 5.119 -8.649 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.785 6.318 -8.234 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.842 5.566 -9.440 1.00 0.00 C ATOM 0 H LEU A 33 5.899 2.552 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 33 4.129 4.528 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.674 4.940 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.666 3.475 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 33 5.012 4.481 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.492 6.881 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.893 5.975 -7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.370 6.959 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.522 6.140 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.477 6.187 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.403 4.691 -9.769 1.00 0.00 H new ATOM 442 N VAL A 34 2.962 2.558 -7.409 1.00 0.00 N ATOM 443 CA VAL A 34 2.254 1.456 -8.049 1.00 0.00 C ATOM 444 C VAL A 34 2.473 1.465 -9.558 1.00 0.00 C ATOM 445 O VAL A 34 2.175 2.450 -10.233 1.00 0.00 O ATOM 446 CB VAL A 34 0.741 1.516 -7.760 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.044 0.276 -8.297 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.488 1.674 -6.268 1.00 0.00 C ATOM 0 H VAL A 34 2.361 3.319 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 34 2.659 0.534 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 34 0.327 2.386 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.023 0.337 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.195 0.212 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.460 -0.611 -7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.585 1.715 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.916 0.825 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.952 2.595 -5.916 1.00 0.00 H new ATOM 458 N ALA A 35 2.996 0.360 -10.080 1.00 0.00 N ATOM 459 CA ALA A 35 3.256 0.239 -11.510 1.00 0.00 C ATOM 460 C ALA A 35 4.219 1.321 -11.989 1.00 0.00 C ATOM 461 O ALA A 35 4.216 1.690 -13.164 1.00 0.00 O ATOM 462 CB ALA A 35 1.952 0.309 -12.289 1.00 0.00 C ATOM 0 H ALA A 35 3.248 -0.464 -9.534 1.00 0.00 H new ATOM 0 HA ALA A 35 3.723 -0.729 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.160 0.218 -13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.297 -0.504 -11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.463 1.264 -12.095 1.00 0.00 H new ATOM 468 N GLY A 36 5.042 1.826 -11.075 1.00 0.00 N ATOM 469 CA GLY A 36 5.999 2.860 -11.427 1.00 0.00 C ATOM 470 C GLY A 36 5.342 4.069 -12.067 1.00 0.00 C ATOM 471 O GLY A 36 5.967 4.779 -12.855 1.00 0.00 O ATOM 0 H GLY A 36 5.063 1.538 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.535 3.174 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.739 2.447 -12.113 1.00 0.00 H new ATOM 475 N GLN A 37 4.078 4.303 -11.728 1.00 0.00 N ATOM 476 CA GLN A 37 3.338 5.434 -12.276 1.00 0.00 C ATOM 477 C GLN A 37 2.433 6.056 -11.217 1.00 0.00 C ATOM 478 O GLN A 37 2.605 7.217 -10.844 1.00 0.00 O ATOM 479 CB GLN A 37 2.503 4.989 -13.479 1.00 0.00 C ATOM 480 CG GLN A 37 3.338 4.598 -14.687 1.00 0.00 C ATOM 481 CD GLN A 37 2.695 3.498 -15.508 1.00 0.00 C ATOM 482 OE1 GLN A 37 3.226 2.392 -15.612 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.543 3.797 -16.099 1.00 0.00 N ATOM 0 H GLN A 37 3.546 3.725 -11.077 1.00 0.00 H new ATOM 0 HA GLN A 37 4.058 6.185 -12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.883 4.142 -13.187 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.827 5.797 -13.761 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.492 5.474 -15.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.322 4.269 -14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.138 4.726 -15.986 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.064 3.097 -16.665 1.00 0.00 H new ATOM 492 N LYS A 38 1.470 5.278 -10.737 1.00 0.00 N ATOM 493 CA LYS A 38 0.538 5.754 -9.720 1.00 0.00 C ATOM 494 C LYS A 38 1.234 5.903 -8.372 1.00 0.00 C ATOM 495 O LYS A 38 1.630 4.914 -7.753 1.00 0.00 O ATOM 496 CB LYS A 38 -0.645 4.793 -9.594 1.00 0.00 C ATOM 497 CG LYS A 38 -1.631 4.887 -10.748 1.00 0.00 C ATOM 498 CD LYS A 38 -2.951 4.213 -10.409 1.00 0.00 C ATOM 499 CE LYS A 38 -3.579 3.565 -11.632 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.487 2.079 -11.583 1.00 0.00 N ATOM 0 H LYS A 38 1.314 4.315 -11.035 1.00 0.00 H new ATOM 0 HA LYS A 38 0.170 6.733 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.268 3.772 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.170 4.997 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.808 5.934 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.201 4.421 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.788 3.458 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.639 4.948 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.625 3.862 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.083 3.930 -12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.927 1.676 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.488 1.794 -11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.983 1.728 -10.739 1.00 0.00 H new ATOM 514 N GLN A 39 1.380 7.145 -7.921 1.00 0.00 N ATOM 515 CA GLN A 39 2.029 7.424 -6.645 1.00 0.00 C ATOM 516 C GLN A 39 1.050 7.249 -5.488 1.00 0.00 C ATOM 517 O GLN A 39 -0.065 7.769 -5.520 1.00 0.00 O ATOM 518 CB GLN A 39 2.596 8.844 -6.638 1.00 0.00 C ATOM 519 CG GLN A 39 3.836 8.999 -5.772 1.00 0.00 C ATOM 520 CD GLN A 39 3.553 9.729 -4.473 1.00 0.00 C ATOM 521 OE1 GLN A 39 2.417 9.761 -4.000 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.589 10.319 -3.889 1.00 0.00 N ATOM 0 H GLN A 39 1.058 7.974 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 39 2.846 6.714 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.838 9.135 -7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.828 9.532 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.244 8.013 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.599 9.541 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.513 10.267 -4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.461 10.825 -3.012 1.00 0.00 H new ATOM 531 N GLY A 40 1.476 6.514 -4.465 1.00 0.00 N ATOM 532 CA GLY A 40 0.626 6.283 -3.312 1.00 0.00 C ATOM 533 C GLY A 40 1.402 5.786 -2.110 1.00 0.00 C ATOM 534 O GLY A 40 2.616 5.601 -2.179 1.00 0.00 O ATOM 0 H GLY A 40 2.395 6.074 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.113 7.209 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.142 5.554 -3.571 1.00 0.00 H new ATOM 538 N ILE A 41 0.698 5.568 -1.004 1.00 0.00 N ATOM 539 CA ILE A 41 1.328 5.087 0.221 1.00 0.00 C ATOM 540 C ILE A 41 0.599 3.866 0.771 1.00 0.00 C ATOM 541 O ILE A 41 -0.632 3.819 0.786 1.00 0.00 O ATOM 542 CB ILE A 41 1.360 6.182 1.304 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.903 7.489 0.724 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.202 5.731 2.487 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.664 8.690 1.613 1.00 0.00 C ATOM 0 H ILE A 41 -0.308 5.717 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 41 2.351 4.811 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 41 0.342 6.357 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.974 7.383 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.439 7.667 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.215 6.515 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.775 4.823 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.220 5.531 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.075 9.581 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.593 8.822 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.152 8.533 2.575 1.00 0.00 H new ATOM 557 N VAL A 42 1.366 2.879 1.221 1.00 0.00 N ATOM 558 CA VAL A 42 0.793 1.657 1.772 1.00 0.00 C ATOM 559 C VAL A 42 -0.038 1.951 3.016 1.00 0.00 C ATOM 560 O VAL A 42 0.438 2.590 3.955 1.00 0.00 O ATOM 561 CB VAL A 42 1.888 0.635 2.129 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.269 -0.701 2.513 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.860 0.467 0.971 1.00 0.00 C ATOM 0 H VAL A 42 2.386 2.901 1.215 1.00 0.00 H new ATOM 0 HA VAL A 42 0.149 1.234 1.001 1.00 0.00 H new ATOM 0 HB VAL A 42 2.443 1.012 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.059 -1.410 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.618 -0.565 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.686 -1.086 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.627 -0.259 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.321 0.114 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.330 1.425 0.749 1.00 0.00 H new ATOM 573 N ARG A 43 -1.281 1.480 3.017 1.00 0.00 N ATOM 574 CA ARG A 43 -2.178 1.692 4.147 1.00 0.00 C ATOM 575 C ARG A 43 -2.466 0.379 4.867 1.00 0.00 C ATOM 576 O ARG A 43 -2.622 0.350 6.088 1.00 0.00 O ATOM 577 CB ARG A 43 -3.487 2.325 3.673 1.00 0.00 C ATOM 578 CG ARG A 43 -3.289 3.541 2.783 1.00 0.00 C ATOM 579 CD ARG A 43 -2.449 4.604 3.471 1.00 0.00 C ATOM 580 NE ARG A 43 -2.885 5.955 3.126 1.00 0.00 N ATOM 581 CZ ARG A 43 -2.135 7.042 3.295 1.00 0.00 C ATOM 582 NH1 ARG A 43 -0.913 6.941 3.803 1.00 0.00 N ATOM 583 NH2 ARG A 43 -2.607 8.232 2.954 1.00 0.00 N ATOM 0 H ARG A 43 -1.690 0.949 2.248 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.687 2.369 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.066 1.578 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.077 2.614 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.805 3.238 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.259 3.959 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.507 4.469 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.403 4.478 3.190 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.819 6.072 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.544 6.027 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.343 7.777 3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.545 8.315 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.032 9.065 3.083 1.00 0.00 H new ATOM 597 N PHE A 44 -2.536 -0.706 4.102 1.00 0.00 N ATOM 598 CA PHE A 44 -2.806 -2.024 4.668 1.00 0.00 C ATOM 599 C PHE A 44 -2.016 -3.103 3.935 1.00 0.00 C ATOM 600 O PHE A 44 -2.272 -3.389 2.766 1.00 0.00 O ATOM 601 CB PHE A 44 -4.302 -2.333 4.596 1.00 0.00 C ATOM 602 CG PHE A 44 -4.676 -3.640 5.235 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.527 -4.832 4.545 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.178 -3.676 6.526 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.870 -6.036 5.130 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.524 -4.877 7.117 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.370 -6.058 6.417 1.00 0.00 C ATOM 0 H PHE A 44 -2.410 -0.699 3.090 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.492 -2.016 5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.855 -1.529 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.612 -2.347 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.138 -4.820 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.300 -2.755 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.747 -6.958 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.914 -4.892 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.640 -6.998 6.876 1.00 0.00 H new ATOM 617 N TYR A 45 -1.055 -3.700 4.631 1.00 0.00 N ATOM 618 CA TYR A 45 -0.227 -4.750 4.047 1.00 0.00 C ATOM 619 C TYR A 45 -0.627 -6.120 4.583 1.00 0.00 C ATOM 620 O TYR A 45 -0.605 -6.355 5.792 1.00 0.00 O ATOM 621 CB TYR A 45 1.250 -4.486 4.338 1.00 0.00 C ATOM 622 CG TYR A 45 2.186 -5.463 3.661 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.969 -5.868 2.349 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.286 -5.980 4.334 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.821 -6.761 1.728 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.144 -6.872 3.718 1.00 0.00 C ATOM 627 CZ TYR A 45 3.906 -7.260 2.416 1.00 0.00 C ATOM 628 OH TYR A 45 4.757 -8.149 1.800 1.00 0.00 O ATOM 0 H TYR A 45 -0.830 -3.475 5.600 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.383 -4.743 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.500 -3.475 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.412 -4.527 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.121 -5.478 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.474 -5.680 5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.638 -7.067 0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.996 -7.263 4.254 1.00 0.00 H new ATOM 0 HH TYR A 45 4.387 -9.054 1.864 1.00 0.00 H new ATOM 638 N GLY A 46 -0.991 -7.021 3.678 1.00 0.00 N ATOM 639 CA GLY A 46 -1.390 -8.358 4.080 1.00 0.00 C ATOM 640 C GLY A 46 -2.082 -9.117 2.964 1.00 0.00 C ATOM 641 O GLY A 46 -2.364 -8.556 1.906 1.00 0.00 O ATOM 0 H GLY A 46 -1.017 -6.850 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.510 -8.915 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.058 -8.292 4.939 1.00 0.00 H new ATOM 645 N LYS A 47 -2.353 -10.396 3.202 1.00 0.00 N ATOM 646 CA LYS A 47 -3.016 -11.233 2.208 1.00 0.00 C ATOM 647 C LYS A 47 -4.475 -10.823 2.037 1.00 0.00 C ATOM 648 O LYS A 47 -5.079 -10.248 2.942 1.00 0.00 O ATOM 649 CB LYS A 47 -2.932 -12.706 2.615 1.00 0.00 C ATOM 650 CG LYS A 47 -1.672 -13.402 2.125 1.00 0.00 C ATOM 651 CD LYS A 47 -1.677 -14.879 2.486 1.00 0.00 C ATOM 652 CE LYS A 47 -0.309 -15.342 2.959 1.00 0.00 C ATOM 653 NZ LYS A 47 0.598 -15.652 1.819 1.00 0.00 N ATOM 0 H LYS A 47 -2.124 -10.875 4.073 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.505 -11.096 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.977 -12.777 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.803 -13.232 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.590 -13.291 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.796 -12.922 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.414 -15.061 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.981 -15.465 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.141 -14.568 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.422 -16.228 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.986 -16.610 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.065 -15.599 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.377 -14.963 1.798 1.00 0.00 H new ATOM 667 N THR A 48 -5.035 -11.125 0.870 1.00 0.00 N ATOM 668 CA THR A 48 -6.425 -10.789 0.578 1.00 0.00 C ATOM 669 C THR A 48 -7.246 -12.048 0.322 1.00 0.00 C ATOM 670 O THR A 48 -6.736 -13.163 0.415 1.00 0.00 O ATOM 671 CB THR A 48 -6.503 -9.859 -0.634 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.835 -10.428 -1.746 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.895 -8.495 -0.382 1.00 0.00 C ATOM 0 H THR A 48 -4.548 -11.602 0.111 1.00 0.00 H new ATOM 0 HA THR A 48 -6.840 -10.277 1.446 1.00 0.00 H new ATOM 0 HB THR A 48 -7.567 -9.733 -0.834 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.656 -11.375 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.983 -7.885 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.421 -8.008 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.842 -8.608 -0.122 1.00 0.00 H new ATOM 681 N ASP A 49 -8.522 -11.860 -0.001 1.00 0.00 N ATOM 682 CA ASP A 49 -9.414 -12.982 -0.271 1.00 0.00 C ATOM 683 C ASP A 49 -9.699 -13.104 -1.764 1.00 0.00 C ATOM 684 O ASP A 49 -9.920 -14.201 -2.275 1.00 0.00 O ATOM 685 CB ASP A 49 -10.725 -12.812 0.499 1.00 0.00 C ATOM 686 CG ASP A 49 -11.252 -14.127 1.041 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.871 -15.186 0.501 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.046 -14.097 2.005 1.00 0.00 O ATOM 0 H ASP A 49 -8.961 -10.943 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.921 -13.896 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.571 -12.118 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.473 -12.366 -0.157 1.00 0.00 H new ATOM 693 N PHE A 50 -9.693 -11.970 -2.458 1.00 0.00 N ATOM 694 CA PHE A 50 -9.952 -11.951 -3.892 1.00 0.00 C ATOM 695 C PHE A 50 -8.785 -12.558 -4.665 1.00 0.00 C ATOM 696 O PHE A 50 -8.983 -13.297 -5.629 1.00 0.00 O ATOM 697 CB PHE A 50 -10.206 -10.520 -4.367 1.00 0.00 C ATOM 698 CG PHE A 50 -9.044 -9.596 -4.134 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.937 -8.883 -2.951 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.063 -9.439 -5.099 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.870 -8.032 -2.733 1.00 0.00 C ATOM 702 CE2 PHE A 50 -6.993 -8.589 -4.887 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.897 -7.885 -3.702 1.00 0.00 C ATOM 0 H PHE A 50 -9.512 -11.053 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.841 -12.552 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.440 -10.535 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.083 -10.125 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.696 -8.993 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.134 -9.986 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.797 -7.483 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.234 -8.476 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.062 -7.221 -3.534 1.00 0.00 H new ATOM 713 N ALA A 51 -7.568 -12.239 -4.236 1.00 0.00 N ATOM 714 CA ALA A 51 -6.370 -12.752 -4.889 1.00 0.00 C ATOM 715 C ALA A 51 -5.329 -13.198 -3.863 1.00 0.00 C ATOM 716 O ALA A 51 -5.193 -12.588 -2.803 1.00 0.00 O ATOM 717 CB ALA A 51 -5.782 -11.698 -5.815 1.00 0.00 C ATOM 0 H ALA A 51 -7.386 -11.628 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.654 -13.623 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.888 -12.094 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.516 -11.432 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.520 -10.811 -5.237 1.00 0.00 H new ATOM 723 N PRO A 52 -4.580 -14.273 -4.166 1.00 0.00 N ATOM 724 CA PRO A 52 -3.551 -14.796 -3.264 1.00 0.00 C ATOM 725 C PRO A 52 -2.285 -13.946 -3.273 1.00 0.00 C ATOM 726 O PRO A 52 -2.127 -13.059 -4.112 1.00 0.00 O ATOM 727 CB PRO A 52 -3.266 -16.185 -3.833 1.00 0.00 C ATOM 728 CG PRO A 52 -3.556 -16.059 -5.288 1.00 0.00 C ATOM 729 CD PRO A 52 -4.678 -15.062 -5.410 1.00 0.00 C ATOM 0 HA PRO A 52 -3.880 -14.802 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.231 -16.481 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.897 -16.942 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.674 -15.721 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.843 -17.021 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.562 -14.434 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.646 -15.556 -5.496 1.00 0.00 H new ATOM 737 N GLY A 53 -1.386 -14.223 -2.335 1.00 0.00 N ATOM 738 CA GLY A 53 -0.144 -13.476 -2.254 1.00 0.00 C ATOM 739 C GLY A 53 -0.257 -12.259 -1.355 1.00 0.00 C ATOM 740 O GLY A 53 -1.321 -11.981 -0.804 1.00 0.00 O ATOM 0 H GLY A 53 -1.495 -14.951 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.645 -14.128 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.152 -13.159 -3.254 1.00 0.00 H new ATOM 744 N TYR A 54 0.847 -11.533 -1.207 1.00 0.00 N ATOM 745 CA TYR A 54 0.870 -10.339 -0.370 1.00 0.00 C ATOM 746 C TYR A 54 0.535 -9.095 -1.186 1.00 0.00 C ATOM 747 O TYR A 54 1.275 -8.719 -2.095 1.00 0.00 O ATOM 748 CB TYR A 54 2.242 -10.178 0.287 1.00 0.00 C ATOM 749 CG TYR A 54 2.376 -10.916 1.601 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.515 -12.297 1.632 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.364 -10.229 2.808 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.637 -12.974 2.830 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.485 -10.900 4.011 1.00 0.00 C ATOM 754 CZ TYR A 54 2.622 -12.271 4.016 1.00 0.00 C ATOM 755 OH TYR A 54 2.744 -12.942 5.211 1.00 0.00 O ATOM 0 H TYR A 54 1.737 -11.751 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 54 0.114 -10.456 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.009 -10.535 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.433 -9.118 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.528 -12.851 0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.259 -9.154 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.744 -14.049 2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.472 -10.352 4.942 1.00 0.00 H new ATOM 0 HH TYR A 54 2.716 -12.300 5.951 1.00 0.00 H new ATOM 765 N TRP A 55 -0.585 -8.460 -0.854 1.00 0.00 N ATOM 766 CA TRP A 55 -1.017 -7.257 -1.557 1.00 0.00 C ATOM 767 C TRP A 55 -0.884 -6.028 -0.664 1.00 0.00 C ATOM 768 O TRP A 55 -1.052 -6.111 0.553 1.00 0.00 O ATOM 769 CB TRP A 55 -2.467 -7.409 -2.024 1.00 0.00 C ATOM 770 CG TRP A 55 -2.674 -8.577 -2.940 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.870 -9.878 -2.577 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.705 -8.549 -4.372 1.00 0.00 C ATOM 773 NE1 TRP A 55 -3.021 -10.662 -3.695 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.923 -9.869 -4.808 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.569 -7.537 -5.326 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -3.009 -10.202 -6.159 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.655 -7.869 -6.665 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.873 -9.191 -7.070 1.00 0.00 C ATOM 0 H TRP A 55 -1.209 -8.758 -0.104 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.374 -7.122 -2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -3.113 -7.520 -1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.775 -6.496 -2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.902 -10.239 -1.559 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.180 -11.670 -3.696 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.400 -6.514 -5.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.177 -11.221 -6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.552 -7.095 -7.411 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.935 -9.417 -8.124 1.00 0.00 H new ATOM 789 N TYR A 56 -0.582 -4.888 -1.276 1.00 0.00 N ATOM 790 CA TYR A 56 -0.424 -3.641 -0.536 1.00 0.00 C ATOM 791 C TYR A 56 -1.635 -2.734 -0.730 1.00 0.00 C ATOM 792 O TYR A 56 -1.966 -2.356 -1.855 1.00 0.00 O ATOM 793 CB TYR A 56 0.847 -2.916 -0.984 1.00 0.00 C ATOM 794 CG TYR A 56 2.116 -3.688 -0.704 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.379 -4.888 -1.353 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.051 -3.217 0.210 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.538 -5.597 -1.100 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.213 -3.920 0.468 1.00 0.00 C ATOM 799 CZ TYR A 56 4.451 -5.109 -0.189 1.00 0.00 C ATOM 800 OH TYR A 56 5.606 -5.811 0.065 1.00 0.00 O ATOM 0 H TYR A 56 -0.442 -4.802 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.342 -3.885 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.783 -2.715 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.901 -1.951 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.666 -5.273 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.867 -2.287 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.728 -6.528 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.931 -3.540 1.180 1.00 0.00 H new ATOM 0 HH TYR A 56 5.411 -6.552 0.676 1.00 0.00 H new ATOM 810 N GLY A 57 -2.292 -2.389 0.372 1.00 0.00 N ATOM 811 CA GLY A 57 -3.458 -1.528 0.302 1.00 0.00 C ATOM 812 C GLY A 57 -3.087 -0.063 0.186 1.00 0.00 C ATOM 813 O GLY A 57 -3.403 0.736 1.068 1.00 0.00 O ATOM 0 H GLY A 57 -2.038 -2.690 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.067 -1.815 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.070 -1.676 1.192 1.00 0.00 H new ATOM 817 N ILE A 58 -2.413 0.289 -0.904 1.00 0.00 N ATOM 818 CA ILE A 58 -1.996 1.668 -1.132 1.00 0.00 C ATOM 819 C ILE A 58 -3.192 2.559 -1.448 1.00 0.00 C ATOM 820 O ILE A 58 -4.096 2.165 -2.186 1.00 0.00 O ATOM 821 CB ILE A 58 -0.979 1.762 -2.286 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.167 0.771 -2.069 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.440 3.181 -2.407 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.917 0.428 -3.338 1.00 0.00 C ATOM 0 H ILE A 58 -2.144 -0.361 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.524 2.013 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.487 1.506 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.866 1.189 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.233 -0.145 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.277 3.229 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.263 3.867 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.053 3.463 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.715 -0.279 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.231 -0.020 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.347 1.335 -3.763 1.00 0.00 H new ATOM 836 N GLU A 59 -3.191 3.762 -0.885 1.00 0.00 N ATOM 837 CA GLU A 59 -4.275 4.712 -1.104 1.00 0.00 C ATOM 838 C GLU A 59 -3.811 5.875 -1.977 1.00 0.00 C ATOM 839 O GLU A 59 -2.770 6.479 -1.720 1.00 0.00 O ATOM 840 CB GLU A 59 -4.798 5.239 0.234 1.00 0.00 C ATOM 841 CG GLU A 59 -5.925 6.249 0.094 1.00 0.00 C ATOM 842 CD GLU A 59 -5.514 7.646 0.520 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.582 8.204 -0.096 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.125 8.181 1.469 1.00 0.00 O ATOM 0 H GLU A 59 -2.450 4.103 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.082 4.192 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.147 4.399 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.975 5.700 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.259 6.273 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.775 5.925 0.695 1.00 0.00 H new ATOM 851 N LEU A 60 -4.590 6.182 -3.008 1.00 0.00 N ATOM 852 CA LEU A 60 -4.259 7.273 -3.918 1.00 0.00 C ATOM 853 C LEU A 60 -4.772 8.605 -3.379 1.00 0.00 C ATOM 854 O LEU A 60 -5.481 8.648 -2.375 1.00 0.00 O ATOM 855 CB LEU A 60 -4.852 7.007 -5.303 1.00 0.00 C ATOM 856 CG LEU A 60 -4.286 5.782 -6.024 1.00 0.00 C ATOM 857 CD1 LEU A 60 -5.111 5.463 -7.262 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.829 6.010 -6.398 1.00 0.00 C ATOM 0 H LEU A 60 -5.455 5.691 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.174 7.329 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.930 6.885 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.687 7.885 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.338 4.929 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.694 4.589 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.141 5.257 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.090 6.314 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.443 5.129 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.754 6.875 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.245 6.190 -5.495 1.00 0.00 H new ATOM 870 N ASP A 61 -4.407 9.690 -4.055 1.00 0.00 N ATOM 871 CA ASP A 61 -4.830 11.024 -3.643 1.00 0.00 C ATOM 872 C ASP A 61 -5.959 11.537 -4.532 1.00 0.00 C ATOM 873 O ASP A 61 -6.816 12.300 -4.086 1.00 0.00 O ATOM 874 CB ASP A 61 -3.649 11.993 -3.689 1.00 0.00 C ATOM 875 CG ASP A 61 -3.675 12.991 -2.548 1.00 0.00 C ATOM 876 OD1 ASP A 61 -3.847 12.562 -1.387 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.524 14.202 -2.814 1.00 0.00 O ATOM 0 H ASP A 61 -3.820 9.672 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.199 10.960 -2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.718 11.428 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.660 12.530 -4.638 1.00 0.00 H new ATOM 882 N GLN A 62 -5.954 11.115 -5.793 1.00 0.00 N ATOM 883 CA GLN A 62 -6.978 11.533 -6.743 1.00 0.00 C ATOM 884 C GLN A 62 -7.833 10.346 -7.180 1.00 0.00 C ATOM 885 O GLN A 62 -7.347 9.218 -7.260 1.00 0.00 O ATOM 886 CB GLN A 62 -6.330 12.186 -7.966 1.00 0.00 C ATOM 887 CG GLN A 62 -5.872 13.614 -7.721 1.00 0.00 C ATOM 888 CD GLN A 62 -6.655 14.627 -8.534 1.00 0.00 C ATOM 889 OE1 GLN A 62 -6.659 14.583 -9.765 1.00 0.00 O ATOM 890 NE2 GLN A 62 -7.322 15.548 -7.848 1.00 0.00 N ATOM 0 H GLN A 62 -5.252 10.484 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.623 12.260 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.474 11.587 -8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.041 12.178 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.974 13.847 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.813 13.699 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.291 15.547 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.866 16.257 -8.341 1.00 0.00 H new ATOM 899 N PRO A 63 -9.125 10.584 -7.471 1.00 0.00 N ATOM 900 CA PRO A 63 -10.045 9.526 -7.903 1.00 0.00 C ATOM 901 C PRO A 63 -9.562 8.821 -9.166 1.00 0.00 C ATOM 902 O PRO A 63 -9.970 9.165 -10.275 1.00 0.00 O ATOM 903 CB PRO A 63 -11.357 10.271 -8.176 1.00 0.00 C ATOM 904 CG PRO A 63 -11.248 11.541 -7.406 1.00 0.00 C ATOM 905 CD PRO A 63 -9.790 11.897 -7.403 1.00 0.00 C ATOM 0 HA PRO A 63 -10.138 8.741 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.486 10.465 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.218 9.686 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.842 12.330 -7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.621 11.415 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.527 12.526 -8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.511 12.444 -6.503 1.00 0.00 H new ATOM 913 N THR A 64 -8.689 7.833 -8.992 1.00 0.00 N ATOM 914 CA THR A 64 -8.153 7.082 -10.121 1.00 0.00 C ATOM 915 C THR A 64 -7.658 5.709 -9.677 1.00 0.00 C ATOM 916 O THR A 64 -6.670 5.194 -10.202 1.00 0.00 O ATOM 917 CB THR A 64 -7.013 7.860 -10.783 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.584 7.209 -11.966 1.00 0.00 O ATOM 919 CG2 THR A 64 -5.802 8.031 -9.890 1.00 0.00 C ATOM 0 H THR A 64 -8.339 7.535 -8.082 1.00 0.00 H new ATOM 0 HA THR A 64 -8.956 6.941 -10.845 1.00 0.00 H new ATOM 0 HB THR A 64 -7.425 8.846 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.484 6.250 -11.793 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.033 8.591 -10.423 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.088 8.574 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.412 7.051 -9.615 1.00 0.00 H new ATOM 927 N GLY A 65 -8.351 5.121 -8.708 1.00 0.00 N ATOM 928 CA GLY A 65 -7.968 3.812 -8.211 1.00 0.00 C ATOM 929 C GLY A 65 -8.746 2.691 -8.870 1.00 0.00 C ATOM 930 O GLY A 65 -9.311 2.870 -9.949 1.00 0.00 O ATOM 0 H GLY A 65 -9.171 5.527 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.902 3.660 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.127 3.775 -7.133 1.00 0.00 H new ATOM 934 N LYS A 66 -8.777 1.532 -8.221 1.00 0.00 N ATOM 935 CA LYS A 66 -9.492 0.377 -8.750 1.00 0.00 C ATOM 936 C LYS A 66 -10.732 0.074 -7.914 1.00 0.00 C ATOM 937 O LYS A 66 -11.736 -0.417 -8.429 1.00 0.00 O ATOM 938 CB LYS A 66 -8.571 -0.845 -8.788 1.00 0.00 C ATOM 939 CG LYS A 66 -8.583 -1.573 -10.122 1.00 0.00 C ATOM 940 CD LYS A 66 -7.375 -2.483 -10.271 1.00 0.00 C ATOM 941 CE LYS A 66 -6.214 -1.763 -10.941 1.00 0.00 C ATOM 942 NZ LYS A 66 -5.165 -1.370 -9.960 1.00 0.00 N ATOM 0 H LYS A 66 -8.315 1.368 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.812 0.611 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.552 -0.529 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.869 -1.539 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.496 -2.162 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.595 -0.846 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.065 -2.841 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.649 -3.360 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.776 -2.409 -11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.584 -0.874 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.334 -1.006 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.538 -0.631 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.890 -2.199 -9.395 1.00 0.00 H new ATOM 956 N HIS A 67 -10.653 0.371 -6.621 1.00 0.00 N ATOM 957 CA HIS A 67 -11.769 0.130 -5.712 1.00 0.00 C ATOM 958 C HIS A 67 -11.828 1.201 -4.628 1.00 0.00 C ATOM 959 O HIS A 67 -11.018 2.129 -4.613 1.00 0.00 O ATOM 960 CB HIS A 67 -11.644 -1.253 -5.072 1.00 0.00 C ATOM 961 CG HIS A 67 -10.277 -1.541 -4.534 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.770 -0.979 -3.384 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.302 -2.357 -5.013 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.531 -1.458 -3.204 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.200 -2.298 -4.165 1.00 0.00 N ATOM 0 H HIS A 67 -9.829 0.779 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.692 0.172 -6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.369 -1.337 -4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.902 -2.011 -5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.371 -2.956 -5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.887 -1.191 -2.379 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.318 -2.801 -4.266 1.00 0.00 H new ATOM 973 N ASP A 68 -12.793 1.069 -3.724 1.00 0.00 N ATOM 974 CA ASP A 68 -12.958 2.025 -2.636 1.00 0.00 C ATOM 975 C ASP A 68 -12.699 1.364 -1.285 1.00 0.00 C ATOM 976 O ASP A 68 -13.628 1.110 -0.518 1.00 0.00 O ATOM 977 CB ASP A 68 -14.366 2.623 -2.664 1.00 0.00 C ATOM 978 CG ASP A 68 -14.537 3.749 -1.663 1.00 0.00 C ATOM 979 OD1 ASP A 68 -13.624 4.596 -1.561 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.583 3.784 -0.981 1.00 0.00 O ATOM 0 H ASP A 68 -13.473 0.309 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.229 2.823 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.579 2.996 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.094 1.840 -2.454 1.00 0.00 H new ATOM 985 N GLY A 69 -11.431 1.086 -1.002 1.00 0.00 N ATOM 986 CA GLY A 69 -11.072 0.457 0.255 1.00 0.00 C ATOM 987 C GLY A 69 -11.319 -1.038 0.246 1.00 0.00 C ATOM 988 O GLY A 69 -10.377 -1.829 0.195 1.00 0.00 O ATOM 0 H GLY A 69 -10.645 1.285 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.019 0.647 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.646 0.912 1.062 1.00 0.00 H new ATOM 992 N SER A 70 -12.589 -1.427 0.298 1.00 0.00 N ATOM 993 CA SER A 70 -12.957 -2.838 0.296 1.00 0.00 C ATOM 994 C SER A 70 -13.077 -3.367 -1.129 1.00 0.00 C ATOM 995 O SER A 70 -13.394 -2.620 -2.055 1.00 0.00 O ATOM 996 CB SER A 70 -14.278 -3.042 1.042 1.00 0.00 C ATOM 997 OG SER A 70 -15.354 -2.433 0.350 1.00 0.00 O ATOM 0 H SER A 70 -13.380 -0.785 0.342 1.00 0.00 H new ATOM 0 HA SER A 70 -12.170 -3.394 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.473 -4.108 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.202 -2.621 2.045 1.00 0.00 H new ATOM 0 HG SER A 70 -16.186 -2.579 0.846 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.824 -4.661 -1.297 1.00 0.00 N ATOM 1004 CA VAL A 71 -12.904 -5.291 -2.609 1.00 0.00 C ATOM 1005 C VAL A 71 -13.790 -6.532 -2.569 1.00 0.00 C ATOM 1006 O VAL A 71 -13.493 -7.496 -1.864 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.510 -5.687 -3.129 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.591 -6.157 -4.574 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.540 -4.523 -2.994 1.00 0.00 C ATOM 0 H VAL A 71 -12.562 -5.293 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.340 -4.557 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.138 -6.513 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.596 -6.432 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.251 -7.022 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.985 -5.353 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.560 -4.821 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.906 -3.675 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.458 -4.237 -1.945 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.878 -6.501 -3.330 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.807 -7.624 -3.382 1.00 0.00 C ATOM 1021 C PHE A 72 -16.405 -7.899 -2.006 1.00 0.00 C ATOM 1022 O PHE A 72 -16.726 -9.040 -1.674 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.098 -8.876 -3.901 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.556 -8.724 -5.294 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.410 -8.506 -6.364 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.194 -8.801 -5.534 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -14.916 -8.367 -7.646 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -12.693 -8.662 -6.814 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.555 -8.445 -7.872 1.00 0.00 C ATOM 0 H PHE A 72 -15.139 -5.710 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.615 -7.363 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.279 -9.126 -3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.795 -9.714 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.475 -8.444 -6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.516 -8.972 -4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.592 -8.198 -8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.629 -8.723 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.166 -8.337 -8.874 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.554 -6.845 -1.210 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.114 -6.995 0.121 1.00 0.00 C ATOM 1041 C GLY A 73 -16.050 -7.028 1.199 1.00 0.00 C ATOM 1042 O GLY A 73 -16.290 -6.609 2.332 1.00 0.00 O ATOM 0 H GLY A 73 -16.297 -5.891 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.800 -6.171 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.699 -7.914 0.164 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.869 -7.527 0.848 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.763 -7.613 1.794 1.00 0.00 C ATOM 1048 C VAL A 74 -13.130 -6.245 2.024 1.00 0.00 C ATOM 1049 O VAL A 74 -12.575 -5.643 1.105 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.679 -8.590 1.304 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.640 -8.823 2.390 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.305 -9.905 0.864 1.00 0.00 C ATOM 0 H VAL A 74 -14.654 -7.878 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.177 -7.982 2.732 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.178 -8.147 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.882 -9.516 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.169 -7.876 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.123 -9.244 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.524 -10.583 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.833 -10.356 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.007 -9.720 0.051 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.218 -5.758 3.258 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.653 -4.460 3.610 1.00 0.00 C ATOM 1064 C ARG A 75 -11.241 -4.615 4.166 1.00 0.00 C ATOM 1065 O ARG A 75 -10.921 -5.616 4.807 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.544 -3.756 4.635 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.128 -2.321 4.916 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.627 -1.852 6.273 1.00 0.00 C ATOM 1069 NE ARG A 75 -13.512 -0.405 6.429 1.00 0.00 N ATOM 1070 CZ ARG A 75 -14.366 0.470 5.902 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.399 0.046 5.184 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -14.188 1.770 6.093 1.00 0.00 N ATOM 0 H ARG A 75 -13.675 -6.243 4.031 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.603 -3.854 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.573 -3.764 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.527 -4.320 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.041 -2.242 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.521 -1.668 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.668 -2.148 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.058 -2.348 7.059 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.730 -0.042 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.540 -0.953 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.051 0.719 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.396 2.101 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.843 2.439 5.689 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.400 -3.616 3.917 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.023 -3.640 4.393 1.00 0.00 C ATOM 1088 C TYR A 76 -8.646 -2.311 5.038 1.00 0.00 C ATOM 1089 O TYR A 76 -8.082 -2.278 6.131 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.067 -3.950 3.239 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.322 -5.286 2.582 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.198 -5.400 1.510 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.687 -6.437 3.034 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.435 -6.620 0.907 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.917 -7.661 2.436 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.792 -7.747 1.374 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.025 -8.965 0.776 1.00 0.00 O ATOM 0 H TYR A 76 -10.649 -2.780 3.388 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.940 -4.424 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.151 -3.164 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.043 -3.928 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.703 -4.519 1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.002 -6.373 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.120 -6.691 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.414 -8.545 2.798 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.467 -8.826 -0.088 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.962 -1.216 4.353 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.656 0.116 4.859 1.00 0.00 C ATOM 1109 C PHE A 77 -9.601 1.155 4.263 1.00 0.00 C ATOM 1110 O PHE A 77 -10.143 0.963 3.175 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.206 0.485 4.539 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.903 0.506 3.068 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.749 -0.676 2.362 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -6.771 1.708 2.391 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.471 -0.661 1.008 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.493 1.730 1.038 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.342 0.544 0.346 1.00 0.00 C ATOM 0 H PHE A 77 -9.430 -1.226 3.447 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.791 0.107 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.988 1.466 4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.542 -0.227 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.847 -1.621 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -6.887 2.638 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.355 -1.590 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.394 2.673 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.123 0.559 -0.712 1.00 0.00 H new ATOM 1127 N THR A 78 -9.791 2.256 4.983 1.00 0.00 N ATOM 1128 CA THR A 78 -10.670 3.326 4.524 1.00 0.00 C ATOM 1129 C THR A 78 -9.929 4.272 3.586 1.00 0.00 C ATOM 1130 O THR A 78 -8.760 4.592 3.806 1.00 0.00 O ATOM 1131 CB THR A 78 -11.227 4.103 5.718 1.00 0.00 C ATOM 1132 OG1 THR A 78 -12.143 5.094 5.288 1.00 0.00 O ATOM 1133 CG2 THR A 78 -10.157 4.793 6.536 1.00 0.00 C ATOM 0 H THR A 78 -9.349 2.431 5.885 1.00 0.00 H new ATOM 0 HA THR A 78 -11.497 2.875 3.976 1.00 0.00 H new ATOM 0 HB THR A 78 -11.716 3.357 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.489 5.579 6.066 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.621 5.325 7.367 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.460 4.050 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.618 5.501 5.907 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.617 4.719 2.540 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.023 5.631 1.569 1.00 0.00 C ATOM 1143 C CYS A 79 -11.097 6.279 0.703 1.00 0.00 C ATOM 1144 O CYS A 79 -12.228 5.798 0.632 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.021 4.885 0.685 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.715 3.450 -0.168 1.00 0.00 S ATOM 0 H CYS A 79 -11.585 4.465 2.343 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.501 6.416 2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.621 5.577 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.183 4.558 1.300 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.900 3.197 0.303 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.736 7.376 0.043 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.667 8.091 -0.820 1.00 0.00 C ATOM 1154 C ALA A 80 -12.184 7.186 -1.936 1.00 0.00 C ATOM 1155 O ALA A 80 -11.635 6.112 -2.179 1.00 0.00 O ATOM 1156 CB ALA A 80 -10.998 9.328 -1.403 1.00 0.00 C ATOM 0 H ALA A 80 -9.804 7.788 0.090 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.521 8.403 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.703 9.854 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.684 9.987 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.127 9.030 -1.987 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.254 7.610 -2.633 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.841 6.829 -3.727 1.00 0.00 C ATOM 1164 C PRO A 81 -12.867 6.633 -4.884 1.00 0.00 C ATOM 1165 O PRO A 81 -12.363 7.601 -5.455 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.041 7.670 -4.174 1.00 0.00 C ATOM 1167 CG PRO A 81 -14.754 9.048 -3.683 1.00 0.00 C ATOM 1168 CD PRO A 81 -13.972 8.877 -2.413 1.00 0.00 C ATOM 0 HA PRO A 81 -14.111 5.823 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.152 7.653 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.970 7.287 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.184 9.614 -4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.677 9.599 -3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.285 9.707 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.624 8.825 -1.541 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.604 5.375 -5.223 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.688 5.051 -6.310 1.00 0.00 C ATOM 1178 C ARG A 82 -10.288 5.585 -6.020 1.00 0.00 C ATOM 1179 O ARG A 82 -9.703 6.301 -6.833 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.207 5.626 -7.630 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.288 4.776 -8.279 1.00 0.00 C ATOM 1182 CD ARG A 82 -14.413 5.631 -8.841 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.728 5.078 -8.529 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.850 5.434 -9.150 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -16.820 6.343 -10.119 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -18.004 4.882 -8.804 1.00 0.00 N ATOM 0 H ARG A 82 -13.013 4.563 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.631 3.966 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.601 6.626 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.373 5.731 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.850 4.179 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.692 4.079 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.339 6.640 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.301 5.713 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.790 4.377 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.935 6.771 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.682 6.613 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.033 4.184 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.863 5.156 -9.281 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.757 5.231 -4.855 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.425 5.673 -4.456 1.00 0.00 C ATOM 1202 C HIS A 83 -7.527 4.479 -4.145 1.00 0.00 C ATOM 1203 O HIS A 83 -6.377 4.426 -4.577 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.514 6.590 -3.235 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.808 8.017 -3.578 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.296 9.093 -2.890 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.582 8.537 -4.564 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.764 10.210 -3.465 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.550 9.926 -4.486 1.00 0.00 N ATOM 0 H HIS A 83 -10.228 4.640 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.989 6.227 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.291 6.218 -2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.573 6.543 -2.686 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.671 9.049 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.135 7.964 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.528 11.211 -3.136 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.063 3.524 -3.392 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.296 2.345 -3.036 1.00 0.00 C ATOM 1219 C GLY A 84 -6.838 1.562 -4.251 1.00 0.00 C ATOM 1220 O GLY A 84 -7.538 1.506 -5.262 1.00 0.00 O ATOM 0 H GLY A 84 -9.013 3.545 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.426 2.644 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.902 1.700 -2.399 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.658 0.959 -4.153 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.106 0.177 -5.252 1.00 0.00 C ATOM 1226 C VAL A 85 -4.219 -0.949 -4.733 1.00 0.00 C ATOM 1227 O VAL A 85 -3.171 -0.702 -4.135 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.288 1.059 -6.214 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.210 1.916 -7.067 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.306 1.924 -5.439 1.00 0.00 C ATOM 0 H VAL A 85 -5.066 0.997 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.951 -0.249 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.718 0.410 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.614 2.532 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.868 1.272 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.810 2.558 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.737 2.541 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.853 2.566 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.624 1.286 -4.877 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.644 -2.186 -4.967 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.888 -3.351 -4.523 1.00 0.00 C ATOM 1242 C PHE A 86 -3.031 -3.909 -5.656 1.00 0.00 C ATOM 1243 O PHE A 86 -3.549 -4.498 -6.605 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.836 -4.434 -4.005 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.047 -4.386 -2.519 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -3.972 -4.479 -1.649 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.321 -4.247 -1.991 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.164 -4.434 -0.281 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.519 -4.203 -0.624 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.438 -4.296 0.232 1.00 0.00 C ATOM 0 H PHE A 86 -5.508 -2.408 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.229 -3.037 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.800 -4.331 -4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.440 -5.412 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.973 -4.588 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.169 -4.172 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.318 -4.507 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.517 -4.096 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.590 -4.261 1.301 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.721 -3.718 -5.550 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.794 -4.203 -6.566 1.00 0.00 C ATOM 1262 C ALA A 87 0.333 -5.021 -5.938 1.00 0.00 C ATOM 1263 O ALA A 87 0.777 -4.727 -4.828 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.223 -3.036 -7.358 1.00 0.00 C ATOM 0 H ALA A 87 -1.277 -3.231 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.345 -4.854 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.467 -3.412 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.034 -2.495 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.308 -2.364 -6.684 1.00 0.00 H new ATOM 1270 N PRO A 88 0.812 -6.064 -6.639 1.00 0.00 N ATOM 1271 CA PRO A 88 1.893 -6.922 -6.138 1.00 0.00 C ATOM 1272 C PRO A 88 3.161 -6.133 -5.830 1.00 0.00 C ATOM 1273 O PRO A 88 3.506 -5.192 -6.543 1.00 0.00 O ATOM 1274 CB PRO A 88 2.143 -7.902 -7.290 1.00 0.00 C ATOM 1275 CG PRO A 88 0.890 -7.881 -8.095 1.00 0.00 C ATOM 1276 CD PRO A 88 0.342 -6.489 -7.969 1.00 0.00 C ATOM 0 HA PRO A 88 1.621 -7.408 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.001 -7.597 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.355 -8.904 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.091 -8.128 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.176 -8.617 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.717 -5.835 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.746 -6.477 -8.035 1.00 0.00 H new ATOM 1284 N ALA A 89 3.851 -6.524 -4.758 1.00 0.00 N ATOM 1285 CA ALA A 89 5.083 -5.855 -4.356 1.00 0.00 C ATOM 1286 C ALA A 89 6.004 -5.679 -5.554 1.00 0.00 C ATOM 1287 O ALA A 89 6.474 -4.577 -5.837 1.00 0.00 O ATOM 1288 CB ALA A 89 5.781 -6.644 -3.256 1.00 0.00 C ATOM 0 H ALA A 89 3.576 -7.299 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 89 4.832 -4.869 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.699 -6.132 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.122 -6.724 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.022 -7.642 -3.621 1.00 0.00 H new ATOM 1294 N SER A 90 6.237 -6.776 -6.270 1.00 0.00 N ATOM 1295 CA SER A 90 7.077 -6.745 -7.456 1.00 0.00 C ATOM 1296 C SER A 90 6.544 -5.712 -8.439 1.00 0.00 C ATOM 1297 O SER A 90 7.288 -5.176 -9.262 1.00 0.00 O ATOM 1298 CB SER A 90 7.124 -8.125 -8.116 1.00 0.00 C ATOM 1299 OG SER A 90 8.050 -8.147 -9.188 1.00 0.00 O ATOM 0 H SER A 90 5.855 -7.695 -6.047 1.00 0.00 H new ATOM 0 HA SER A 90 8.090 -6.469 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.402 -8.876 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.132 -8.390 -8.483 1.00 0.00 H new ATOM 0 HG SER A 90 8.062 -9.040 -9.592 1.00 0.00 H new ATOM 1305 N ARG A 91 5.247 -5.421 -8.333 1.00 0.00 N ATOM 1306 CA ARG A 91 4.615 -4.436 -9.197 1.00 0.00 C ATOM 1307 C ARG A 91 4.704 -3.044 -8.576 1.00 0.00 C ATOM 1308 O ARG A 91 4.472 -2.039 -9.247 1.00 0.00 O ATOM 1309 CB ARG A 91 3.151 -4.809 -9.448 1.00 0.00 C ATOM 1310 CG ARG A 91 2.926 -5.537 -10.765 1.00 0.00 C ATOM 1311 CD ARG A 91 2.038 -4.736 -11.703 1.00 0.00 C ATOM 1312 NE ARG A 91 1.189 -5.598 -12.523 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.504 -5.173 -13.582 1.00 0.00 C ATOM 1314 NH1 ARG A 91 0.564 -3.900 -13.953 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.243 -6.023 -14.271 1.00 0.00 N ATOM 0 H ARG A 91 4.618 -5.855 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 91 5.143 -4.426 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.799 -5.438 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.546 -3.902 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.886 -5.726 -11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.469 -6.508 -10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.413 -4.060 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.659 -4.117 -12.351 1.00 0.00 H new ATOM 0 HE ARG A 91 1.117 -6.583 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.137 -3.242 -13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.037 -3.580 -14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.293 -7.002 -13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.768 -5.698 -15.083 1.00 0.00 H new ATOM 1329 N ILE A 92 5.047 -2.990 -7.287 1.00 0.00 N ATOM 1330 CA ILE A 92 5.170 -1.718 -6.585 1.00 0.00 C ATOM 1331 C ILE A 92 6.635 -1.363 -6.351 1.00 0.00 C ATOM 1332 O ILE A 92 7.500 -2.239 -6.330 1.00 0.00 O ATOM 1333 CB ILE A 92 4.438 -1.748 -5.229 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.992 -2.212 -5.415 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.476 -0.375 -4.573 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.300 -2.568 -4.117 1.00 0.00 C ATOM 0 H ILE A 92 5.243 -3.810 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 92 4.709 -0.961 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 92 4.948 -2.456 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.428 -1.424 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.979 -3.080 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.955 -0.414 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.512 -0.078 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.989 0.352 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.279 -2.888 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.841 -3.377 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.281 -1.696 -3.464 1.00 0.00 H new ATOM 1348 N GLN A 93 6.907 -0.074 -6.176 1.00 0.00 N ATOM 1349 CA GLN A 93 8.268 0.396 -5.944 1.00 0.00 C ATOM 1350 C GLN A 93 8.367 1.141 -4.617 1.00 0.00 C ATOM 1351 O GLN A 93 7.363 1.363 -3.940 1.00 0.00 O ATOM 1352 CB GLN A 93 8.718 1.306 -7.088 1.00 0.00 C ATOM 1353 CG GLN A 93 8.788 0.602 -8.432 1.00 0.00 C ATOM 1354 CD GLN A 93 8.652 1.560 -9.600 1.00 0.00 C ATOM 1355 OE1 GLN A 93 8.438 2.757 -9.413 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.776 1.035 -10.814 1.00 0.00 N ATOM 0 H GLN A 93 6.203 0.664 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 93 8.924 -0.474 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.030 2.148 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.699 1.716 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.737 0.071 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.998 -0.147 -8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.953 0.036 -10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.694 1.631 -11.638 1.00 0.00 H new ATOM 1365 N ARG A 94 9.585 1.527 -4.250 1.00 0.00 N ATOM 1366 CA ARG A 94 9.818 2.247 -3.004 1.00 0.00 C ATOM 1367 C ARG A 94 10.486 3.593 -3.271 1.00 0.00 C ATOM 1368 O ARG A 94 11.652 3.650 -3.663 1.00 0.00 O ATOM 1369 CB ARG A 94 10.684 1.408 -2.059 1.00 0.00 C ATOM 1370 CG ARG A 94 9.918 0.839 -0.876 1.00 0.00 C ATOM 1371 CD ARG A 94 10.854 0.411 0.244 1.00 0.00 C ATOM 1372 NE ARG A 94 10.588 1.134 1.485 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.256 0.933 2.618 1.00 0.00 C ATOM 1374 NH1 ARG A 94 12.229 0.030 2.672 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.951 1.634 3.702 1.00 0.00 N ATOM 0 H ARG A 94 10.427 1.353 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 94 8.853 2.430 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.130 0.587 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.504 2.023 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.219 1.587 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.326 -0.016 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.746 -0.660 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.886 0.582 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 94 9.846 1.834 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.467 -0.513 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.738 -0.120 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.204 2.328 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.463 1.479 4.570 1.00 0.00 H new ATOM 1389 N ILE A 95 9.741 4.672 -3.056 1.00 0.00 N ATOM 1390 CA ILE A 95 10.262 6.016 -3.273 1.00 0.00 C ATOM 1391 C ILE A 95 11.058 6.497 -2.065 1.00 0.00 C ATOM 1392 O ILE A 95 12.021 7.252 -2.205 1.00 0.00 O ATOM 1393 CB ILE A 95 9.128 7.019 -3.558 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.188 6.468 -4.632 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.703 8.359 -3.988 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.969 7.333 -4.870 1.00 0.00 C ATOM 0 H ILE A 95 8.774 4.642 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 95 10.918 5.965 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 95 8.556 7.168 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.739 6.365 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.863 5.469 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.890 9.057 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.336 8.755 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.296 8.227 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.348 6.881 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.396 7.416 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.284 8.326 -5.191 1.00 0.00 H new ATOM 1408 N GLY A 96 10.652 6.057 -0.879 1.00 0.00 N ATOM 1409 CA GLY A 96 11.340 6.453 0.335 1.00 0.00 C ATOM 1410 C GLY A 96 12.764 5.938 0.390 1.00 0.00 C ATOM 1411 O GLY A 96 13.459 5.908 -0.626 1.00 0.00 O ATOM 0 H GLY A 96 9.858 5.433 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.348 7.541 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.789 6.081 1.199 1.00 0.00 H new ATOM 1415 N SER A 97 13.199 5.533 1.578 1.00 0.00 N ATOM 1416 CA SER A 97 14.551 5.016 1.761 1.00 0.00 C ATOM 1417 C SER A 97 15.591 6.065 1.383 1.00 0.00 C ATOM 1418 O SER A 97 15.988 6.171 0.223 1.00 0.00 O ATOM 1419 CB SER A 97 14.755 3.754 0.921 1.00 0.00 C ATOM 1420 OG SER A 97 13.657 2.868 1.057 1.00 0.00 O ATOM 0 H SER A 97 12.636 5.552 2.428 1.00 0.00 H new ATOM 0 HA SER A 97 14.678 4.768 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.878 4.027 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.672 3.252 1.230 1.00 0.00 H new ATOM 0 HG SER A 97 13.811 2.070 0.509 1.00 0.00 H new ATOM 1426 N GLY A 98 16.030 6.838 2.371 1.00 0.00 N ATOM 1427 CA GLY A 98 17.022 7.868 2.122 1.00 0.00 C ATOM 1428 C GLY A 98 16.435 9.266 2.179 1.00 0.00 C ATOM 1429 O GLY A 98 15.251 9.455 1.903 1.00 0.00 O ATOM 0 H GLY A 98 15.717 6.770 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.822 7.783 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.471 7.706 1.142 1.00 0.00 H new ATOM 1433 N PRO A 99 17.248 10.275 2.538 1.00 0.00 N ATOM 1434 CA PRO A 99 16.789 11.666 2.626 1.00 0.00 C ATOM 1435 C PRO A 99 16.489 12.264 1.256 1.00 0.00 C ATOM 1436 O PRO A 99 17.382 12.785 0.586 1.00 0.00 O ATOM 1437 CB PRO A 99 17.969 12.389 3.279 1.00 0.00 C ATOM 1438 CG PRO A 99 19.158 11.564 2.931 1.00 0.00 C ATOM 1439 CD PRO A 99 18.675 10.140 2.883 1.00 0.00 C ATOM 0 HA PRO A 99 15.857 11.753 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.069 13.406 2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.840 12.462 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.576 11.867 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.947 11.684 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.215 9.557 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.811 9.637 3.840 1.00 0.00 H new ATOM 1447 N SER A 100 15.228 12.185 0.844 1.00 0.00 N ATOM 1448 CA SER A 100 14.811 12.718 -0.448 1.00 0.00 C ATOM 1449 C SER A 100 14.803 14.243 -0.430 1.00 0.00 C ATOM 1450 O SER A 100 14.387 14.861 0.550 1.00 0.00 O ATOM 1451 CB SER A 100 13.421 12.194 -0.815 1.00 0.00 C ATOM 1452 OG SER A 100 12.851 12.953 -1.867 1.00 0.00 O ATOM 0 H SER A 100 14.477 11.757 1.386 1.00 0.00 H new ATOM 0 HA SER A 100 15.527 12.385 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.490 11.148 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.771 12.234 0.059 1.00 0.00 H new ATOM 0 HG SER A 100 11.964 12.597 -2.084 1.00 0.00 H new ATOM 1458 N SER A 101 15.265 14.846 -1.521 1.00 0.00 N ATOM 1459 CA SER A 101 15.311 16.298 -1.631 1.00 0.00 C ATOM 1460 C SER A 101 13.926 16.866 -1.922 1.00 0.00 C ATOM 1461 O SER A 101 12.934 16.138 -1.922 1.00 0.00 O ATOM 1462 CB SER A 101 16.289 16.717 -2.731 1.00 0.00 C ATOM 1463 OG SER A 101 16.923 17.943 -2.412 1.00 0.00 O ATOM 0 H SER A 101 15.613 14.350 -2.342 1.00 0.00 H new ATOM 0 HA SER A 101 15.655 16.699 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.041 15.940 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.756 16.815 -3.677 1.00 0.00 H new ATOM 0 HG SER A 101 17.544 18.187 -3.130 1.00 0.00 H new ATOM 1469 N GLY A 102 13.866 18.170 -2.171 1.00 0.00 N ATOM 1470 CA GLY A 102 12.598 18.812 -2.461 1.00 0.00 C ATOM 1471 C GLY A 102 11.676 18.847 -1.256 1.00 0.00 C ATOM 1472 O GLY A 102 10.599 18.219 -1.315 1.00 0.00 O ATOM 1473 OXT GLY A 102 12.033 19.503 -0.255 1.00 0.00 O ATOM 0 H GLY A 102 14.673 18.793 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.780 19.830 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.105 18.283 -3.277 1.00 0.00 H new TER 1477 GLY A 102