USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 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 5 SER OG : rot 180:sc= -0.0315 USER MOD Set 1.2: A 6 SER OG : rot 31:sc= 0.434 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 19 GLN : amide:sc=-0.00735 X(o=-0.0074,f=-0.12) USER MOD Single : A 24 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0549 F(o=-1.1,f=-0.055) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 40 SER OG : rot -74:sc= 1.2 USER MOD Single : A 41 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.013) USER MOD Single : A 43 SER OG : rot 120:sc= -1.21 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 48 GLN : amide:sc= 0.437 X(o=0.44,f=-0.032) USER MOD Single : A 49 GLN : amide:sc= -0.708 X(o=-0.71,f=-1.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.150 -17.006 -19.249 1.00 0.00 N ATOM 2 CA GLY A 1 17.028 -18.298 -18.600 1.00 0.00 C ATOM 3 C GLY A 1 16.362 -18.204 -17.241 1.00 0.00 C ATOM 4 O GLY A 1 15.154 -18.410 -17.118 1.00 0.00 O ATOM 0 H1 GLY A 1 17.611 -17.124 -20.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.204 -16.594 -19.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.722 -16.372 -18.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.452 -18.969 -19.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.018 -18.739 -18.486 1.00 0.00 H new ATOM 8 N SER A 2 17.151 -17.893 -16.218 1.00 0.00 N ATOM 9 CA SER A 2 16.631 -17.777 -14.860 1.00 0.00 C ATOM 10 C SER A 2 17.394 -16.713 -14.075 1.00 0.00 C ATOM 11 O SER A 2 18.624 -16.723 -14.029 1.00 0.00 O ATOM 12 CB SER A 2 16.725 -19.123 -14.139 1.00 0.00 C ATOM 13 OG SER A 2 15.988 -20.121 -14.824 1.00 0.00 O ATOM 0 H SER A 2 18.152 -17.717 -16.303 1.00 0.00 H new ATOM 0 HA SER A 2 15.585 -17.478 -14.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.769 -19.426 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.347 -19.021 -13.122 1.00 0.00 H new ATOM 0 HG SER A 2 16.065 -20.972 -14.344 1.00 0.00 H new ATOM 19 N SER A 3 16.653 -15.797 -13.459 1.00 0.00 N ATOM 20 CA SER A 3 17.258 -14.723 -12.680 1.00 0.00 C ATOM 21 C SER A 3 16.772 -14.762 -11.234 1.00 0.00 C ATOM 22 O SER A 3 15.626 -14.427 -10.943 1.00 0.00 O ATOM 23 CB SER A 3 16.931 -13.365 -13.303 1.00 0.00 C ATOM 24 OG SER A 3 17.448 -12.306 -12.518 1.00 0.00 O ATOM 0 H SER A 3 15.634 -15.777 -13.484 1.00 0.00 H new ATOM 0 HA SER A 3 18.338 -14.867 -12.687 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.348 -13.313 -14.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.851 -13.256 -13.400 1.00 0.00 H new ATOM 0 HG SER A 3 17.227 -11.449 -12.939 1.00 0.00 H new ATOM 30 N GLY A 4 17.657 -15.175 -10.330 1.00 0.00 N ATOM 31 CA GLY A 4 17.301 -15.251 -8.925 1.00 0.00 C ATOM 32 C GLY A 4 18.200 -16.193 -8.150 1.00 0.00 C ATOM 33 O GLY A 4 17.728 -16.978 -7.327 1.00 0.00 O ATOM 0 H GLY A 4 18.613 -15.458 -10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.357 -14.255 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.267 -15.582 -8.833 1.00 0.00 H new ATOM 37 N SER A 5 19.501 -16.117 -8.413 1.00 0.00 N ATOM 38 CA SER A 5 20.469 -16.973 -7.737 1.00 0.00 C ATOM 39 C SER A 5 20.679 -16.523 -6.294 1.00 0.00 C ATOM 40 O SER A 5 20.736 -17.343 -5.378 1.00 0.00 O ATOM 41 CB SER A 5 21.803 -16.961 -8.486 1.00 0.00 C ATOM 42 OG SER A 5 22.390 -15.672 -8.462 1.00 0.00 O ATOM 0 H SER A 5 19.909 -15.471 -9.089 1.00 0.00 H new ATOM 0 HA SER A 5 20.074 -17.989 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.484 -17.682 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.647 -17.274 -9.518 1.00 0.00 H new ATOM 0 HG SER A 5 23.242 -15.691 -8.946 1.00 0.00 H new ATOM 48 N SER A 6 20.792 -15.213 -6.101 1.00 0.00 N ATOM 49 CA SER A 6 20.999 -14.652 -4.771 1.00 0.00 C ATOM 50 C SER A 6 20.959 -13.127 -4.812 1.00 0.00 C ATOM 51 O SER A 6 21.722 -12.494 -5.541 1.00 0.00 O ATOM 52 CB SER A 6 22.337 -15.122 -4.198 1.00 0.00 C ATOM 53 OG SER A 6 23.420 -14.671 -4.993 1.00 0.00 O ATOM 0 H SER A 6 20.744 -14.520 -6.848 1.00 0.00 H new ATOM 0 HA SER A 6 20.193 -15.003 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.450 -14.751 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.350 -16.211 -4.144 1.00 0.00 H new ATOM 0 HG SER A 6 23.190 -13.810 -5.401 1.00 0.00 H new ATOM 59 N GLY A 7 20.062 -12.543 -4.023 1.00 0.00 N ATOM 60 CA GLY A 7 19.938 -11.097 -3.983 1.00 0.00 C ATOM 61 C GLY A 7 19.140 -10.616 -2.788 1.00 0.00 C ATOM 62 O GLY A 7 18.973 -11.330 -1.799 1.00 0.00 O ATOM 0 H GLY A 7 19.419 -13.045 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.932 -10.651 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.459 -10.751 -4.899 1.00 0.00 H new ATOM 66 N PRO A 8 18.633 -9.378 -2.870 1.00 0.00 N ATOM 67 CA PRO A 8 17.840 -8.774 -1.796 1.00 0.00 C ATOM 68 C PRO A 8 16.472 -9.430 -1.645 1.00 0.00 C ATOM 69 O PRO A 8 16.144 -10.378 -2.360 1.00 0.00 O ATOM 70 CB PRO A 8 17.689 -7.318 -2.241 1.00 0.00 C ATOM 71 CG PRO A 8 17.825 -7.360 -3.724 1.00 0.00 C ATOM 72 CD PRO A 8 18.792 -8.471 -4.020 1.00 0.00 C ATOM 0 HA PRO A 8 18.318 -8.889 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.723 -6.911 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.454 -6.685 -1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.861 -7.545 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.193 -6.409 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.556 -8.969 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.814 -8.102 -4.103 1.00 0.00 H new ATOM 80 N LEU A 9 15.677 -8.921 -0.710 1.00 0.00 N ATOM 81 CA LEU A 9 14.342 -9.457 -0.465 1.00 0.00 C ATOM 82 C LEU A 9 13.676 -9.876 -1.772 1.00 0.00 C ATOM 83 O LEU A 9 14.013 -9.390 -2.853 1.00 0.00 O ATOM 84 CB LEU A 9 13.478 -8.420 0.252 1.00 0.00 C ATOM 85 CG LEU A 9 13.602 -6.981 -0.249 1.00 0.00 C ATOM 86 CD1 LEU A 9 14.791 -6.290 0.401 1.00 0.00 C ATOM 87 CD2 LEU A 9 13.730 -6.953 -1.765 1.00 0.00 C ATOM 0 H LEU A 9 15.934 -8.138 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 9 14.441 -10.338 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.435 -8.724 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.730 -8.437 1.312 1.00 0.00 H new ATOM 0 HG LEU A 9 12.697 -6.441 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.863 -5.267 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.658 -6.277 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.705 -6.830 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.817 -5.921 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.618 -7.510 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.847 -7.409 -2.213 1.00 0.00 H new ATOM 99 N PRO A 10 12.706 -10.797 -1.674 1.00 0.00 N ATOM 100 CA PRO A 10 11.969 -11.298 -2.838 1.00 0.00 C ATOM 101 C PRO A 10 11.044 -10.244 -3.436 1.00 0.00 C ATOM 102 O PRO A 10 10.748 -9.232 -2.802 1.00 0.00 O ATOM 103 CB PRO A 10 11.156 -12.463 -2.268 1.00 0.00 C ATOM 104 CG PRO A 10 10.999 -12.143 -0.822 1.00 0.00 C ATOM 105 CD PRO A 10 12.253 -11.418 -0.419 1.00 0.00 C ATOM 0 HA PRO A 10 12.636 -11.584 -3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.188 -12.549 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.672 -13.413 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.119 -11.523 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.867 -13.051 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.056 -10.672 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.000 -12.101 -0.016 1.00 0.00 H new ATOM 113 N ILE A 11 10.590 -10.489 -4.661 1.00 0.00 N ATOM 114 CA ILE A 11 9.696 -9.563 -5.344 1.00 0.00 C ATOM 115 C ILE A 11 8.470 -9.252 -4.491 1.00 0.00 C ATOM 116 O ILE A 11 7.952 -10.105 -3.771 1.00 0.00 O ATOM 117 CB ILE A 11 9.234 -10.122 -6.702 1.00 0.00 C ATOM 118 CG1 ILE A 11 8.633 -11.518 -6.525 1.00 0.00 C ATOM 119 CG2 ILE A 11 10.398 -10.161 -7.682 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.756 -11.949 -7.680 1.00 0.00 C ATOM 0 H ILE A 11 10.827 -11.322 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 11 10.261 -8.646 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 11 8.465 -9.464 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.441 -12.240 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.046 -11.538 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.056 -10.558 -8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.786 -9.153 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.187 -10.800 -7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.364 -12.948 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.928 -11.249 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.343 -11.961 -8.598 1.00 0.00 H new ATOM 132 N PRO A 12 7.993 -8.002 -4.574 1.00 0.00 N ATOM 133 CA PRO A 12 6.821 -7.549 -3.819 1.00 0.00 C ATOM 134 C PRO A 12 5.527 -8.181 -4.324 1.00 0.00 C ATOM 135 O PRO A 12 5.490 -8.823 -5.374 1.00 0.00 O ATOM 136 CB PRO A 12 6.806 -6.038 -4.058 1.00 0.00 C ATOM 137 CG PRO A 12 7.517 -5.852 -5.354 1.00 0.00 C ATOM 138 CD PRO A 12 8.561 -6.932 -5.413 1.00 0.00 C ATOM 0 HA PRO A 12 6.882 -7.827 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.787 -5.655 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.308 -5.505 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.826 -5.931 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.974 -4.864 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.732 -7.271 -6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.520 -6.585 -5.028 1.00 0.00 H new ATOM 146 N PRO A 13 4.441 -7.997 -3.559 1.00 0.00 N ATOM 147 CA PRO A 13 3.125 -8.540 -3.910 1.00 0.00 C ATOM 148 C PRO A 13 2.513 -7.842 -5.120 1.00 0.00 C ATOM 149 O PRO A 13 2.999 -6.810 -5.583 1.00 0.00 O ATOM 150 CB PRO A 13 2.286 -8.274 -2.657 1.00 0.00 C ATOM 151 CG PRO A 13 2.944 -7.109 -2.003 1.00 0.00 C ATOM 152 CD PRO A 13 4.412 -7.243 -2.295 1.00 0.00 C ATOM 0 HA PRO A 13 3.179 -9.593 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.250 -8.051 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.272 -9.142 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.553 -6.170 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.759 -7.109 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.892 -6.270 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.933 -7.774 -1.498 1.00 0.00 H new ATOM 160 N PRO A 14 1.422 -8.417 -5.646 1.00 0.00 N ATOM 161 CA PRO A 14 0.719 -7.865 -6.809 1.00 0.00 C ATOM 162 C PRO A 14 -0.003 -6.563 -6.486 1.00 0.00 C ATOM 163 O PRO A 14 -0.497 -6.357 -5.376 1.00 0.00 O ATOM 164 CB PRO A 14 -0.289 -8.962 -7.167 1.00 0.00 C ATOM 165 CG PRO A 14 -0.517 -9.698 -5.892 1.00 0.00 C ATOM 166 CD PRO A 14 0.788 -9.649 -5.146 1.00 0.00 C ATOM 0 HA PRO A 14 1.404 -7.615 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.217 -8.537 -7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.103 -9.622 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.316 -9.236 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.818 -10.728 -6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.633 -9.612 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.401 -10.527 -5.350 1.00 0.00 H new ATOM 174 N PRO A 15 -0.067 -5.660 -7.475 1.00 0.00 N ATOM 175 CA PRO A 15 -0.729 -4.361 -7.320 1.00 0.00 C ATOM 176 C PRO A 15 -2.244 -4.491 -7.207 1.00 0.00 C ATOM 177 O PRO A 15 -2.935 -4.830 -8.168 1.00 0.00 O ATOM 178 CB PRO A 15 -0.350 -3.614 -8.602 1.00 0.00 C ATOM 179 CG PRO A 15 -0.080 -4.687 -9.598 1.00 0.00 C ATOM 180 CD PRO A 15 0.499 -5.837 -8.822 1.00 0.00 C ATOM 0 HA PRO A 15 -0.419 -3.853 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.157 -2.960 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.527 -2.985 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.996 -4.983 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.616 -4.343 -10.363 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.215 -6.797 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.588 -5.804 -8.807 1.00 0.00 H new ATOM 188 N PRO A 16 -2.775 -4.215 -6.007 1.00 0.00 N ATOM 189 CA PRO A 16 -4.214 -4.294 -5.741 1.00 0.00 C ATOM 190 C PRO A 16 -4.996 -3.192 -6.449 1.00 0.00 C ATOM 191 O PRO A 16 -4.420 -2.202 -6.901 1.00 0.00 O ATOM 192 CB PRO A 16 -4.305 -4.124 -4.223 1.00 0.00 C ATOM 193 CG PRO A 16 -3.078 -3.363 -3.854 1.00 0.00 C ATOM 194 CD PRO A 16 -2.011 -3.805 -4.817 1.00 0.00 C ATOM 0 HA PRO A 16 -4.645 -5.227 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.207 -3.583 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.339 -5.089 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.248 -2.289 -3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.785 -3.570 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.315 -2.997 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.422 -4.629 -4.414 1.00 0.00 H new ATOM 202 N ASP A 17 -6.309 -3.370 -6.540 1.00 0.00 N ATOM 203 CA ASP A 17 -7.169 -2.389 -7.191 1.00 0.00 C ATOM 204 C ASP A 17 -7.969 -1.599 -6.161 1.00 0.00 C ATOM 205 O ASP A 17 -8.832 -2.148 -5.475 1.00 0.00 O ATOM 206 CB ASP A 17 -8.120 -3.083 -8.169 1.00 0.00 C ATOM 207 CG ASP A 17 -8.868 -2.098 -9.047 1.00 0.00 C ATOM 208 OD1 ASP A 17 -8.419 -0.937 -9.150 1.00 0.00 O ATOM 209 OD2 ASP A 17 -9.901 -2.488 -9.628 1.00 0.00 O ATOM 0 H ASP A 17 -6.801 -4.184 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.534 -1.695 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.552 -3.768 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.837 -3.684 -7.610 1.00 0.00 H new ATOM 214 N ILE A 18 -7.676 -0.307 -6.057 1.00 0.00 N ATOM 215 CA ILE A 18 -8.368 0.559 -5.110 1.00 0.00 C ATOM 216 C ILE A 18 -9.600 1.195 -5.745 1.00 0.00 C ATOM 217 O ILE A 18 -10.454 1.744 -5.050 1.00 0.00 O ATOM 218 CB ILE A 18 -7.442 1.673 -4.586 1.00 0.00 C ATOM 219 CG1 ILE A 18 -6.034 1.124 -4.345 1.00 0.00 C ATOM 220 CG2 ILE A 18 -8.008 2.273 -3.307 1.00 0.00 C ATOM 221 CD1 ILE A 18 -6.010 -0.127 -3.495 1.00 0.00 C ATOM 0 H ILE A 18 -6.964 0.163 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.676 -0.070 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.381 2.459 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.567 0.909 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.431 1.893 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.343 3.059 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.993 2.695 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.094 1.496 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.980 -0.459 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.447 0.087 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.586 -0.912 -3.986 1.00 0.00 H new ATOM 233 N GLN A 19 -9.684 1.115 -7.069 1.00 0.00 N ATOM 234 CA GLN A 19 -10.814 1.682 -7.798 1.00 0.00 C ATOM 235 C GLN A 19 -12.137 1.200 -7.212 1.00 0.00 C ATOM 236 O GLN A 19 -13.065 1.977 -6.992 1.00 0.00 O ATOM 237 CB GLN A 19 -10.730 1.309 -9.279 1.00 0.00 C ATOM 238 CG GLN A 19 -10.020 2.349 -10.130 1.00 0.00 C ATOM 239 CD GLN A 19 -10.879 3.569 -10.398 1.00 0.00 C ATOM 240 OE1 GLN A 19 -10.871 4.530 -9.628 1.00 0.00 O ATOM 241 NE2 GLN A 19 -11.626 3.536 -11.496 1.00 0.00 N ATOM 0 H GLN A 19 -8.985 0.664 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.770 2.767 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.210 0.356 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.738 1.162 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.103 2.658 -9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.729 1.899 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.601 2.718 -12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.225 4.328 -11.730 1.00 0.00 H new ATOM 250 N PRO A 20 -12.226 -0.114 -6.954 1.00 0.00 N ATOM 251 CA PRO A 20 -13.432 -0.729 -6.391 1.00 0.00 C ATOM 252 C PRO A 20 -13.964 0.036 -5.185 1.00 0.00 C ATOM 253 O PRO A 20 -15.158 0.326 -5.098 1.00 0.00 O ATOM 254 CB PRO A 20 -12.956 -2.123 -5.973 1.00 0.00 C ATOM 255 CG PRO A 20 -11.800 -2.412 -6.867 1.00 0.00 C ATOM 256 CD PRO A 20 -11.158 -1.098 -7.192 1.00 0.00 C ATOM 0 HA PRO A 20 -14.255 -0.741 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.660 -2.142 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.746 -2.864 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.090 -3.077 -6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.131 -2.914 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.292 -0.909 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.810 -1.068 -8.224 1.00 0.00 H new ATOM 264 N LEU A 21 -13.072 0.363 -4.256 1.00 0.00 N ATOM 265 CA LEU A 21 -13.452 1.096 -3.054 1.00 0.00 C ATOM 266 C LEU A 21 -13.632 2.580 -3.356 1.00 0.00 C ATOM 267 O LEU A 21 -14.525 3.229 -2.811 1.00 0.00 O ATOM 268 CB LEU A 21 -12.394 0.911 -1.964 1.00 0.00 C ATOM 269 CG LEU A 21 -11.861 -0.511 -1.781 1.00 0.00 C ATOM 270 CD1 LEU A 21 -10.419 -0.481 -1.299 1.00 0.00 C ATOM 271 CD2 LEU A 21 -12.735 -1.287 -0.808 1.00 0.00 C ATOM 0 H LEU A 21 -12.080 0.132 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.403 0.697 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.553 1.567 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.816 1.244 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.890 -1.017 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.056 -1.501 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.801 0.037 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.365 0.043 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.341 -2.296 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.739 -0.784 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.753 -1.338 -1.194 1.00 0.00 H new ATOM 283 N GLU A 22 -12.781 3.110 -4.228 1.00 0.00 N ATOM 284 CA GLU A 22 -12.848 4.517 -4.604 1.00 0.00 C ATOM 285 C GLU A 22 -14.241 4.878 -5.112 1.00 0.00 C ATOM 286 O GLU A 22 -14.833 5.869 -4.684 1.00 0.00 O ATOM 287 CB GLU A 22 -11.804 4.833 -5.675 1.00 0.00 C ATOM 288 CG GLU A 22 -10.380 4.875 -5.145 1.00 0.00 C ATOM 289 CD GLU A 22 -9.498 5.835 -5.919 1.00 0.00 C ATOM 290 OE1 GLU A 22 -9.939 6.977 -6.168 1.00 0.00 O ATOM 291 OE2 GLU A 22 -8.366 5.445 -6.274 1.00 0.00 O ATOM 0 H GLU A 22 -12.036 2.586 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.638 5.114 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.867 4.083 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.042 5.795 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.395 5.168 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.950 3.875 -5.191 1.00 0.00 H new ATOM 298 N ARG A 23 -14.758 4.066 -6.029 1.00 0.00 N ATOM 299 CA ARG A 23 -16.080 4.301 -6.599 1.00 0.00 C ATOM 300 C ARG A 23 -17.169 4.085 -5.551 1.00 0.00 C ATOM 301 O ARG A 23 -17.996 4.965 -5.311 1.00 0.00 O ATOM 302 CB ARG A 23 -16.316 3.374 -7.793 1.00 0.00 C ATOM 303 CG ARG A 23 -15.534 3.772 -9.035 1.00 0.00 C ATOM 304 CD ARG A 23 -16.327 4.735 -9.906 1.00 0.00 C ATOM 305 NE ARG A 23 -16.208 6.115 -9.444 1.00 0.00 N ATOM 306 CZ ARG A 23 -16.614 7.163 -10.152 1.00 0.00 C ATOM 307 NH1 ARG A 23 -17.160 6.991 -11.348 1.00 0.00 N ATOM 308 NH2 ARG A 23 -16.472 8.389 -9.663 1.00 0.00 N ATOM 0 H ARG A 23 -14.282 3.240 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.124 5.336 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.043 2.357 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.380 3.365 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.593 4.236 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.284 2.881 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.976 4.666 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.377 4.442 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.791 6.283 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.270 6.051 -11.728 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.470 7.799 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.051 8.526 -8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.784 9.194 -10.206 1.00 0.00 H new ATOM 322 N TYR A 24 -17.163 2.909 -4.932 1.00 0.00 N ATOM 323 CA TYR A 24 -18.151 2.577 -3.913 1.00 0.00 C ATOM 324 C TYR A 24 -18.202 3.652 -2.831 1.00 0.00 C ATOM 325 O TYR A 24 -19.271 3.982 -2.319 1.00 0.00 O ATOM 326 CB TYR A 24 -17.830 1.220 -3.285 1.00 0.00 C ATOM 327 CG TYR A 24 -18.877 0.743 -2.304 1.00 0.00 C ATOM 328 CD1 TYR A 24 -19.985 0.024 -2.734 1.00 0.00 C ATOM 329 CD2 TYR A 24 -18.758 1.012 -0.946 1.00 0.00 C ATOM 330 CE1 TYR A 24 -20.944 -0.412 -1.842 1.00 0.00 C ATOM 331 CE2 TYR A 24 -19.713 0.579 -0.046 1.00 0.00 C ATOM 332 CZ TYR A 24 -20.803 -0.133 -0.499 1.00 0.00 C ATOM 333 OH TYR A 24 -21.757 -0.566 0.394 1.00 0.00 O ATOM 0 H TYR A 24 -16.485 2.170 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 24 -19.128 2.526 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -17.722 0.479 -4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -16.869 1.284 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.098 -0.198 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.905 1.569 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.800 -0.969 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.606 0.797 1.006 1.00 0.00 H new ATOM 0 HH TYR A 24 -21.507 -0.288 1.300 1.00 0.00 H new ATOM 343 N TRP A 25 -17.038 4.193 -2.491 1.00 0.00 N ATOM 344 CA TRP A 25 -16.948 5.232 -1.471 1.00 0.00 C ATOM 345 C TRP A 25 -17.721 6.477 -1.892 1.00 0.00 C ATOM 346 O TRP A 25 -18.602 6.945 -1.171 1.00 0.00 O ATOM 347 CB TRP A 25 -15.485 5.590 -1.207 1.00 0.00 C ATOM 348 CG TRP A 25 -15.318 6.754 -0.277 1.00 0.00 C ATOM 349 CD1 TRP A 25 -14.683 7.933 -0.546 1.00 0.00 C ATOM 350 CD2 TRP A 25 -15.788 6.848 1.072 1.00 0.00 C ATOM 351 NE1 TRP A 25 -14.732 8.755 0.554 1.00 0.00 N ATOM 352 CE2 TRP A 25 -15.405 8.113 1.560 1.00 0.00 C ATOM 353 CE3 TRP A 25 -16.498 5.988 1.915 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -15.708 8.535 2.852 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -16.797 6.409 3.196 1.00 0.00 C ATOM 356 CH2 TRP A 25 -16.403 7.673 3.655 1.00 0.00 C ATOM 0 H TRP A 25 -16.144 3.930 -2.906 1.00 0.00 H new ATOM 0 HA TRP A 25 -17.392 4.845 -0.554 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -14.976 4.722 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -14.997 5.818 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -14.212 8.182 -1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -14.332 9.692 0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -16.807 5.012 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.405 9.509 3.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.344 5.752 3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -16.653 7.972 4.662 1.00 0.00 H new ATOM 367 N ALA A 26 -17.386 7.009 -3.062 1.00 0.00 N ATOM 368 CA ALA A 26 -18.051 8.199 -3.579 1.00 0.00 C ATOM 369 C ALA A 26 -19.466 7.877 -4.047 1.00 0.00 C ATOM 370 O ALA A 26 -20.231 8.772 -4.405 1.00 0.00 O ATOM 371 CB ALA A 26 -17.241 8.803 -4.718 1.00 0.00 C ATOM 0 H ALA A 26 -16.658 6.635 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.120 8.927 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.749 9.691 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.251 9.078 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.142 8.073 -5.521 1.00 0.00 H new ATOM 377 N ALA A 27 -19.809 6.593 -4.041 1.00 0.00 N ATOM 378 CA ALA A 27 -21.133 6.154 -4.464 1.00 0.00 C ATOM 379 C ALA A 27 -22.090 6.078 -3.279 1.00 0.00 C ATOM 380 O ALA A 27 -23.135 6.731 -3.269 1.00 0.00 O ATOM 381 CB ALA A 27 -21.044 4.804 -5.160 1.00 0.00 C ATOM 0 H ALA A 27 -19.188 5.839 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 27 -21.525 6.888 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.040 4.488 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.400 4.888 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.628 4.067 -4.473 1.00 0.00 H new ATOM 387 N HIS A 28 -21.728 5.279 -2.281 1.00 0.00 N ATOM 388 CA HIS A 28 -22.555 5.118 -1.090 1.00 0.00 C ATOM 389 C HIS A 28 -22.035 5.985 0.052 1.00 0.00 C ATOM 390 O HIS A 28 -22.814 6.507 0.850 1.00 0.00 O ATOM 391 CB HIS A 28 -22.588 3.651 -0.660 1.00 0.00 C ATOM 392 CG HIS A 28 -23.029 2.718 -1.746 1.00 0.00 C ATOM 393 ND1 HIS A 28 -22.477 2.435 -2.949 1.00 0.00 N flip ATOM 394 CD2 HIS A 28 -24.169 1.948 -1.658 1.00 0.00 C flip ATOM 395 CE1 HIS A 28 -23.285 1.507 -3.559 1.00 0.00 C flip ATOM 396 NE2 HIS A 28 -24.299 1.230 -2.759 1.00 0.00 N flip ATOM 0 H HIS A 28 -20.867 4.732 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.568 5.439 -1.334 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.594 3.358 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.259 3.546 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.850 1.934 -0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.118 1.074 -4.534 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.054 0.573 -2.958 1.00 0.00 H new ATOM 405 N GLN A 29 -20.717 6.131 0.126 1.00 0.00 N ATOM 406 CA GLN A 29 -20.095 6.933 1.173 1.00 0.00 C ATOM 407 C GLN A 29 -20.394 6.354 2.551 1.00 0.00 C ATOM 408 O GLN A 29 -20.699 7.089 3.490 1.00 0.00 O ATOM 409 CB GLN A 29 -20.587 8.380 1.097 1.00 0.00 C ATOM 410 CG GLN A 29 -19.771 9.251 0.156 1.00 0.00 C ATOM 411 CD GLN A 29 -20.338 10.650 0.017 1.00 0.00 C ATOM 412 OE1 GLN A 29 -21.503 10.894 0.329 1.00 0.00 O ATOM 413 NE2 GLN A 29 -19.514 11.579 -0.454 1.00 0.00 N ATOM 0 H GLN A 29 -20.059 5.705 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.016 6.915 1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.628 8.385 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -20.563 8.816 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.746 9.313 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.731 8.780 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.555 11.333 -0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.840 12.539 -0.569 1.00 0.00 H new ATOM 422 N GLN A 30 -20.303 5.034 2.665 1.00 0.00 N ATOM 423 CA GLN A 30 -20.565 4.356 3.930 1.00 0.00 C ATOM 424 C GLN A 30 -20.151 2.890 3.858 1.00 0.00 C ATOM 425 O GLN A 30 -20.671 2.127 3.042 1.00 0.00 O ATOM 426 CB GLN A 30 -22.047 4.464 4.293 1.00 0.00 C ATOM 427 CG GLN A 30 -22.977 3.915 3.223 1.00 0.00 C ATOM 428 CD GLN A 30 -24.431 4.253 3.485 1.00 0.00 C ATOM 429 OE1 GLN A 30 -24.773 5.401 3.772 1.00 0.00 O ATOM 430 NE2 GLN A 30 -25.298 3.251 3.389 1.00 0.00 N ATOM 0 H GLN A 30 -20.050 4.412 1.897 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.973 4.843 4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -22.224 3.929 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -22.293 5.510 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.684 4.315 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -22.864 2.832 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -24.971 2.315 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -26.290 3.418 3.556 1.00 0.00 H new ATOM 439 N LEU A 31 -19.215 2.502 4.716 1.00 0.00 N ATOM 440 CA LEU A 31 -18.732 1.126 4.750 1.00 0.00 C ATOM 441 C LEU A 31 -19.674 0.237 5.555 1.00 0.00 C ATOM 442 O LEU A 31 -20.114 0.608 6.644 1.00 0.00 O ATOM 443 CB LEU A 31 -17.325 1.073 5.350 1.00 0.00 C ATOM 444 CG LEU A 31 -16.706 -0.318 5.489 1.00 0.00 C ATOM 445 CD1 LEU A 31 -16.418 -0.912 4.119 1.00 0.00 C ATOM 446 CD2 LEU A 31 -15.435 -0.255 6.323 1.00 0.00 C ATOM 0 H LEU A 31 -18.775 3.120 5.398 1.00 0.00 H new ATOM 0 HA LEU A 31 -18.698 0.754 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -16.665 1.682 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.355 1.536 6.337 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.420 -0.964 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.978 -1.902 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.347 -0.993 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.722 -0.267 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.008 -1.254 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.715 0.406 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.670 0.128 7.316 1.00 0.00 H new ATOM 458 N ARG A 32 -19.978 -0.938 5.014 1.00 0.00 N ATOM 459 CA ARG A 32 -20.867 -1.881 5.683 1.00 0.00 C ATOM 460 C ARG A 32 -20.202 -3.246 5.828 1.00 0.00 C ATOM 461 O ARG A 32 -19.510 -3.709 4.923 1.00 0.00 O ATOM 462 CB ARG A 32 -22.175 -2.019 4.903 1.00 0.00 C ATOM 463 CG ARG A 32 -22.916 -0.706 4.716 1.00 0.00 C ATOM 464 CD ARG A 32 -24.089 -0.858 3.759 1.00 0.00 C ATOM 465 NE ARG A 32 -25.260 -1.431 4.416 1.00 0.00 N ATOM 466 CZ ARG A 32 -26.279 -1.975 3.758 1.00 0.00 C ATOM 467 NH1 ARG A 32 -26.269 -2.020 2.434 1.00 0.00 N ATOM 468 NH2 ARG A 32 -27.309 -2.476 4.427 1.00 0.00 N ATOM 0 H ARG A 32 -19.622 -1.260 4.114 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.084 -1.495 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.960 -2.448 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.825 -2.722 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.276 -0.350 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.229 0.049 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.347 0.116 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.795 -1.493 2.923 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.298 -1.413 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.478 -1.637 1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.052 -2.438 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.319 -2.444 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.091 -2.893 3.922 1.00 0.00 H new ATOM 482 N GLU A 33 -20.416 -3.883 6.976 1.00 0.00 N ATOM 483 CA GLU A 33 -19.835 -5.194 7.240 1.00 0.00 C ATOM 484 C GLU A 33 -20.185 -6.179 6.127 1.00 0.00 C ATOM 485 O GLU A 33 -19.499 -7.182 5.932 1.00 0.00 O ATOM 486 CB GLU A 33 -20.328 -5.732 8.585 1.00 0.00 C ATOM 487 CG GLU A 33 -19.759 -4.990 9.783 1.00 0.00 C ATOM 488 CD GLU A 33 -20.620 -5.135 11.022 1.00 0.00 C ATOM 489 OE1 GLU A 33 -21.856 -5.003 10.906 1.00 0.00 O ATOM 490 OE2 GLU A 33 -20.057 -5.382 12.110 1.00 0.00 O ATOM 0 H GLU A 33 -20.986 -3.513 7.736 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.751 -5.083 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.416 -5.672 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.065 -6.787 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.758 -5.364 9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.659 -3.933 9.537 1.00 0.00 H new ATOM 497 N THR A 34 -21.259 -5.883 5.401 1.00 0.00 N ATOM 498 CA THR A 34 -21.701 -6.742 4.309 1.00 0.00 C ATOM 499 C THR A 34 -20.937 -6.439 3.026 1.00 0.00 C ATOM 500 O THR A 34 -20.709 -7.325 2.203 1.00 0.00 O ATOM 501 CB THR A 34 -23.210 -6.580 4.044 1.00 0.00 C ATOM 502 OG1 THR A 34 -23.504 -5.223 3.695 1.00 0.00 O ATOM 503 CG2 THR A 34 -24.021 -6.981 5.268 1.00 0.00 C ATOM 0 H THR A 34 -21.838 -5.056 5.549 1.00 0.00 H new ATOM 0 HA THR A 34 -21.500 -7.769 4.614 1.00 0.00 H new ATOM 0 HB THR A 34 -23.483 -7.235 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.465 -5.129 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.083 -6.858 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.818 -8.023 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 34 -23.743 -6.349 6.112 1.00 0.00 H new ATOM 511 N ASP A 35 -20.542 -5.181 2.862 1.00 0.00 N ATOM 512 CA ASP A 35 -19.800 -4.761 1.678 1.00 0.00 C ATOM 513 C ASP A 35 -18.296 -4.874 1.911 1.00 0.00 C ATOM 514 O ASP A 35 -17.505 -4.797 0.971 1.00 0.00 O ATOM 515 CB ASP A 35 -20.164 -3.323 1.305 1.00 0.00 C ATOM 516 CG ASP A 35 -21.436 -3.243 0.484 1.00 0.00 C ATOM 517 OD1 ASP A 35 -22.526 -3.446 1.057 1.00 0.00 O ATOM 518 OD2 ASP A 35 -21.340 -2.978 -0.733 1.00 0.00 O ATOM 0 H ASP A 35 -20.723 -4.435 3.533 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.073 -5.422 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.284 -2.734 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.343 -2.878 0.743 1.00 0.00 H new ATOM 523 N ILE A 36 -17.910 -5.056 3.169 1.00 0.00 N ATOM 524 CA ILE A 36 -16.501 -5.180 3.525 1.00 0.00 C ATOM 525 C ILE A 36 -15.849 -6.345 2.790 1.00 0.00 C ATOM 526 O ILE A 36 -14.881 -6.180 2.048 1.00 0.00 O ATOM 527 CB ILE A 36 -16.319 -5.376 5.042 1.00 0.00 C ATOM 528 CG1 ILE A 36 -16.151 -4.023 5.736 1.00 0.00 C ATOM 529 CG2 ILE A 36 -15.122 -6.273 5.319 1.00 0.00 C ATOM 530 CD1 ILE A 36 -16.009 -4.130 7.239 1.00 0.00 C ATOM 0 H ILE A 36 -18.552 -5.121 3.959 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.017 -4.250 3.227 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.211 -5.859 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.272 -3.522 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.011 -3.395 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.006 -6.403 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.280 -7.245 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.222 -5.815 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.894 -3.134 7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.899 -4.602 7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.132 -4.731 7.480 1.00 0.00 H new ATOM 542 N PRO A 37 -16.391 -7.554 2.999 1.00 0.00 N ATOM 543 CA PRO A 37 -15.880 -8.772 2.364 1.00 0.00 C ATOM 544 C PRO A 37 -16.151 -8.801 0.863 1.00 0.00 C ATOM 545 O PRO A 37 -15.434 -9.455 0.107 1.00 0.00 O ATOM 546 CB PRO A 37 -16.650 -9.891 3.069 1.00 0.00 C ATOM 547 CG PRO A 37 -17.909 -9.246 3.538 1.00 0.00 C ATOM 548 CD PRO A 37 -17.547 -7.825 3.871 1.00 0.00 C ATOM 0 HA PRO A 37 -14.797 -8.857 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.858 -10.718 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.080 -10.300 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.677 -9.282 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.310 -9.761 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -18.372 -7.142 3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.291 -7.712 4.924 1.00 0.00 H new ATOM 556 N GLN A 38 -17.189 -8.088 0.440 1.00 0.00 N ATOM 557 CA GLN A 38 -17.555 -8.033 -0.970 1.00 0.00 C ATOM 558 C GLN A 38 -16.593 -7.141 -1.747 1.00 0.00 C ATOM 559 O GLN A 38 -16.214 -7.452 -2.877 1.00 0.00 O ATOM 560 CB GLN A 38 -18.987 -7.518 -1.128 1.00 0.00 C ATOM 561 CG GLN A 38 -19.411 -7.338 -2.576 1.00 0.00 C ATOM 562 CD GLN A 38 -19.997 -8.602 -3.175 1.00 0.00 C ATOM 563 OE1 GLN A 38 -20.194 -9.598 -2.479 1.00 0.00 O ATOM 564 NE2 GLN A 38 -20.277 -8.568 -4.473 1.00 0.00 N ATOM 0 H GLN A 38 -17.792 -7.540 1.054 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.493 -9.043 -1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.671 -8.214 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -19.081 -6.564 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -20.147 -6.536 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.550 -7.026 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -20.097 -7.721 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -20.672 -9.389 -4.931 1.00 0.00 H new ATOM 573 N LEU A 39 -16.200 -6.028 -1.135 1.00 0.00 N ATOM 574 CA LEU A 39 -15.282 -5.089 -1.770 1.00 0.00 C ATOM 575 C LEU A 39 -13.846 -5.601 -1.702 1.00 0.00 C ATOM 576 O LEU A 39 -13.131 -5.606 -2.704 1.00 0.00 O ATOM 577 CB LEU A 39 -15.379 -3.718 -1.098 1.00 0.00 C ATOM 578 CG LEU A 39 -16.741 -3.029 -1.173 1.00 0.00 C ATOM 579 CD1 LEU A 39 -16.838 -1.924 -0.132 1.00 0.00 C ATOM 580 CD2 LEU A 39 -16.981 -2.472 -2.568 1.00 0.00 C ATOM 0 H LEU A 39 -16.503 -5.755 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.565 -4.994 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.108 -3.830 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.636 -3.061 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.513 -3.769 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.815 -1.445 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.712 -2.350 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.058 -1.185 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.956 -1.985 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.204 -1.746 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.956 -3.285 -3.294 1.00 0.00 H new ATOM 592 N SER A 40 -13.433 -6.033 -0.515 1.00 0.00 N ATOM 593 CA SER A 40 -12.082 -6.546 -0.316 1.00 0.00 C ATOM 594 C SER A 40 -11.745 -7.606 -1.360 1.00 0.00 C ATOM 595 O SER A 40 -10.578 -7.822 -1.686 1.00 0.00 O ATOM 596 CB SER A 40 -11.939 -7.134 1.089 1.00 0.00 C ATOM 597 OG SER A 40 -10.592 -7.091 1.525 1.00 0.00 O ATOM 0 H SER A 40 -14.014 -6.038 0.323 1.00 0.00 H new ATOM 0 HA SER A 40 -11.384 -5.716 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.568 -6.578 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.293 -8.165 1.093 1.00 0.00 H new ATOM 0 HG SER A 40 -10.074 -7.777 1.055 1.00 0.00 H new ATOM 603 N GLN A 41 -12.776 -8.265 -1.880 1.00 0.00 N ATOM 604 CA GLN A 41 -12.589 -9.304 -2.886 1.00 0.00 C ATOM 605 C GLN A 41 -12.150 -8.700 -4.217 1.00 0.00 C ATOM 606 O GLN A 41 -11.214 -9.184 -4.850 1.00 0.00 O ATOM 607 CB GLN A 41 -13.882 -10.099 -3.075 1.00 0.00 C ATOM 608 CG GLN A 41 -14.694 -9.663 -4.284 1.00 0.00 C ATOM 609 CD GLN A 41 -15.998 -10.424 -4.416 1.00 0.00 C ATOM 610 OE1 GLN A 41 -16.080 -11.417 -5.140 1.00 0.00 O ATOM 611 NE2 GLN A 41 -17.027 -9.960 -3.717 1.00 0.00 N ATOM 0 H GLN A 41 -13.748 -8.098 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.805 -9.976 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.637 -11.156 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.495 -9.997 -2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.906 -8.596 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.100 -9.807 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.914 -9.134 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.931 -10.430 -3.767 1.00 0.00 H new ATOM 620 N ALA A 42 -12.835 -7.640 -4.634 1.00 0.00 N ATOM 621 CA ALA A 42 -12.515 -6.970 -5.888 1.00 0.00 C ATOM 622 C ALA A 42 -11.186 -6.229 -5.790 1.00 0.00 C ATOM 623 O ALA A 42 -10.356 -6.300 -6.697 1.00 0.00 O ATOM 624 CB ALA A 42 -13.631 -6.009 -6.272 1.00 0.00 C ATOM 0 H ALA A 42 -13.615 -7.227 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.421 -7.729 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.379 -5.515 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.562 -6.562 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.752 -5.260 -5.489 1.00 0.00 H new ATOM 630 N SER A 43 -10.989 -5.517 -4.685 1.00 0.00 N ATOM 631 CA SER A 43 -9.763 -4.758 -4.471 1.00 0.00 C ATOM 632 C SER A 43 -8.600 -5.690 -4.140 1.00 0.00 C ATOM 633 O SER A 43 -7.453 -5.255 -4.038 1.00 0.00 O ATOM 634 CB SER A 43 -9.955 -3.743 -3.343 1.00 0.00 C ATOM 635 OG SER A 43 -11.234 -3.137 -3.416 1.00 0.00 O ATOM 0 H SER A 43 -11.664 -5.450 -3.923 1.00 0.00 H new ATOM 0 HA SER A 43 -9.529 -4.225 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.838 -4.239 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.182 -2.977 -3.403 1.00 0.00 H new ATOM 0 HG SER A 43 -11.731 -3.322 -2.592 1.00 0.00 H new ATOM 641 N ARG A 44 -8.905 -6.972 -3.974 1.00 0.00 N ATOM 642 CA ARG A 44 -7.887 -7.965 -3.652 1.00 0.00 C ATOM 643 C ARG A 44 -7.088 -7.545 -2.422 1.00 0.00 C ATOM 644 O ARG A 44 -5.877 -7.758 -2.353 1.00 0.00 O ATOM 645 CB ARG A 44 -6.946 -8.163 -4.842 1.00 0.00 C ATOM 646 CG ARG A 44 -7.449 -9.181 -5.853 1.00 0.00 C ATOM 647 CD ARG A 44 -7.010 -8.828 -7.265 1.00 0.00 C ATOM 648 NE ARG A 44 -6.810 -10.016 -8.091 1.00 0.00 N ATOM 649 CZ ARG A 44 -6.122 -10.015 -9.226 1.00 0.00 C ATOM 650 NH1 ARG A 44 -5.569 -8.894 -9.669 1.00 0.00 N ATOM 651 NH2 ARG A 44 -5.984 -11.137 -9.921 1.00 0.00 N ATOM 0 H ARG A 44 -9.849 -7.348 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.389 -8.907 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.802 -7.206 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.970 -8.480 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.075 -10.171 -5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.537 -9.230 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.760 -8.187 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.083 -8.255 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.222 -10.895 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.672 -8.030 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.041 -8.896 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.407 -12.001 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.455 -11.135 -10.793 1.00 0.00 H new ATOM 665 N LEU A 45 -7.773 -6.948 -1.453 1.00 0.00 N ATOM 666 CA LEU A 45 -7.128 -6.498 -0.225 1.00 0.00 C ATOM 667 C LEU A 45 -7.597 -7.321 0.971 1.00 0.00 C ATOM 668 O LEU A 45 -8.415 -8.230 0.827 1.00 0.00 O ATOM 669 CB LEU A 45 -7.420 -5.016 0.015 1.00 0.00 C ATOM 670 CG LEU A 45 -6.893 -4.048 -1.045 1.00 0.00 C ATOM 671 CD1 LEU A 45 -7.627 -2.718 -0.964 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.394 -3.842 -0.880 1.00 0.00 C ATOM 0 H LEU A 45 -8.775 -6.764 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.053 -6.636 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.500 -4.887 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.996 -4.734 0.979 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.074 -4.481 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.239 -2.041 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.692 -2.879 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.477 -2.279 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.036 -3.150 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.190 -3.430 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.881 -4.798 -0.987 1.00 0.00 H new ATOM 684 N SER A 46 -7.075 -6.995 2.149 1.00 0.00 N ATOM 685 CA SER A 46 -7.440 -7.705 3.369 1.00 0.00 C ATOM 686 C SER A 46 -8.612 -7.021 4.066 1.00 0.00 C ATOM 687 O SER A 46 -8.751 -5.798 4.019 1.00 0.00 O ATOM 688 CB SER A 46 -6.242 -7.780 4.317 1.00 0.00 C ATOM 689 OG SER A 46 -5.058 -8.125 3.618 1.00 0.00 O ATOM 0 H SER A 46 -6.398 -6.244 2.284 1.00 0.00 H new ATOM 0 HA SER A 46 -7.743 -8.716 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.107 -6.819 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.436 -8.518 5.096 1.00 0.00 H new ATOM 0 HG SER A 46 -4.307 -8.165 4.246 1.00 0.00 H new ATOM 695 N THR A 47 -9.455 -7.820 4.713 1.00 0.00 N ATOM 696 CA THR A 47 -10.617 -7.294 5.419 1.00 0.00 C ATOM 697 C THR A 47 -10.260 -6.037 6.203 1.00 0.00 C ATOM 698 O THR A 47 -11.078 -5.127 6.339 1.00 0.00 O ATOM 699 CB THR A 47 -11.207 -8.338 6.385 1.00 0.00 C ATOM 700 OG1 THR A 47 -11.109 -9.647 5.812 1.00 0.00 O ATOM 701 CG2 THR A 47 -12.662 -8.024 6.699 1.00 0.00 C ATOM 0 H THR A 47 -9.355 -8.834 4.763 1.00 0.00 H new ATOM 0 HA THR A 47 -11.362 -7.048 4.663 1.00 0.00 H new ATOM 0 HB THR A 47 -10.636 -8.305 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.485 -10.305 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.057 -8.775 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.730 -7.040 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.243 -8.032 5.777 1.00 0.00 H new ATOM 709 N GLN A 48 -9.035 -5.992 6.717 1.00 0.00 N ATOM 710 CA GLN A 48 -8.571 -4.844 7.487 1.00 0.00 C ATOM 711 C GLN A 48 -8.278 -3.658 6.574 1.00 0.00 C ATOM 712 O GLN A 48 -8.511 -2.508 6.944 1.00 0.00 O ATOM 713 CB GLN A 48 -7.320 -5.211 8.286 1.00 0.00 C ATOM 714 CG GLN A 48 -6.742 -4.050 9.079 1.00 0.00 C ATOM 715 CD GLN A 48 -7.688 -3.550 10.153 1.00 0.00 C ATOM 716 OE1 GLN A 48 -7.743 -4.102 11.254 1.00 0.00 O ATOM 717 NE2 GLN A 48 -8.437 -2.499 9.841 1.00 0.00 N ATOM 0 H GLN A 48 -8.346 -6.737 6.614 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.363 -4.558 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.562 -6.023 8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.559 -5.587 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.805 -4.361 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.506 -3.232 8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.359 -2.073 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.090 -2.117 10.525 1.00 0.00 H new ATOM 726 N GLN A 49 -7.765 -3.948 5.383 1.00 0.00 N ATOM 727 CA GLN A 49 -7.439 -2.904 4.419 1.00 0.00 C ATOM 728 C GLN A 49 -8.661 -2.042 4.114 1.00 0.00 C ATOM 729 O GLN A 49 -8.607 -0.816 4.209 1.00 0.00 O ATOM 730 CB GLN A 49 -6.902 -3.523 3.127 1.00 0.00 C ATOM 731 CG GLN A 49 -5.487 -4.062 3.253 1.00 0.00 C ATOM 732 CD GLN A 49 -4.465 -2.968 3.490 1.00 0.00 C ATOM 733 OE1 GLN A 49 -4.312 -2.478 4.610 1.00 0.00 O ATOM 734 NE2 GLN A 49 -3.757 -2.580 2.436 1.00 0.00 N ATOM 0 H GLN A 49 -7.566 -4.896 5.063 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.669 -2.269 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.564 -4.332 2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.927 -2.773 2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.446 -4.776 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.227 -4.606 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.917 -3.013 1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.053 -1.849 2.536 1.00 0.00 H new ATOM 743 N VAL A 50 -9.761 -2.692 3.749 1.00 0.00 N ATOM 744 CA VAL A 50 -10.996 -1.986 3.431 1.00 0.00 C ATOM 745 C VAL A 50 -11.508 -1.205 4.637 1.00 0.00 C ATOM 746 O VAL A 50 -12.044 -0.105 4.495 1.00 0.00 O ATOM 747 CB VAL A 50 -12.093 -2.959 2.959 1.00 0.00 C ATOM 748 CG1 VAL A 50 -13.423 -2.234 2.817 1.00 0.00 C ATOM 749 CG2 VAL A 50 -11.692 -3.617 1.648 1.00 0.00 C ATOM 0 H VAL A 50 -9.822 -3.707 3.666 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.765 -1.291 2.623 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.211 -3.740 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.186 -2.937 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.713 -1.814 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.324 -1.431 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.478 -4.301 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.546 -2.851 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.764 -4.171 1.788 1.00 0.00 H new ATOM 759 N LEU A 51 -11.340 -1.781 5.822 1.00 0.00 N ATOM 760 CA LEU A 51 -11.784 -1.139 7.054 1.00 0.00 C ATOM 761 C LEU A 51 -11.027 0.163 7.294 1.00 0.00 C ATOM 762 O LEU A 51 -11.616 1.175 7.676 1.00 0.00 O ATOM 763 CB LEU A 51 -11.589 -2.082 8.243 1.00 0.00 C ATOM 764 CG LEU A 51 -12.757 -3.019 8.555 1.00 0.00 C ATOM 765 CD1 LEU A 51 -12.294 -4.178 9.423 1.00 0.00 C ATOM 766 CD2 LEU A 51 -13.883 -2.257 9.237 1.00 0.00 C ATOM 0 H LEU A 51 -10.900 -2.691 5.956 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.844 -0.907 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.702 -2.688 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.385 -1.480 9.129 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.135 -3.423 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.138 -4.834 9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.521 -4.739 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.890 -3.793 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.706 -2.939 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.518 -1.824 10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.234 -1.461 8.580 1.00 0.00 H new ATOM 778 N ASP A 52 -9.719 0.130 7.066 1.00 0.00 N ATOM 779 CA ASP A 52 -8.881 1.309 7.254 1.00 0.00 C ATOM 780 C ASP A 52 -9.090 2.311 6.123 1.00 0.00 C ATOM 781 O ASP A 52 -9.095 3.522 6.345 1.00 0.00 O ATOM 782 CB ASP A 52 -7.408 0.907 7.330 1.00 0.00 C ATOM 783 CG ASP A 52 -6.590 1.858 8.182 1.00 0.00 C ATOM 784 OD1 ASP A 52 -7.004 2.133 9.327 1.00 0.00 O ATOM 785 OD2 ASP A 52 -5.537 2.329 7.703 1.00 0.00 O ATOM 0 H ASP A 52 -9.216 -0.699 6.751 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.169 1.783 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.330 -0.100 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.991 0.876 6.323 1.00 0.00 H new ATOM 790 N TRP A 53 -9.260 1.798 4.910 1.00 0.00 N ATOM 791 CA TRP A 53 -9.468 2.648 3.743 1.00 0.00 C ATOM 792 C TRP A 53 -10.628 3.610 3.971 1.00 0.00 C ATOM 793 O TRP A 53 -10.484 4.822 3.806 1.00 0.00 O ATOM 794 CB TRP A 53 -9.735 1.791 2.504 1.00 0.00 C ATOM 795 CG TRP A 53 -9.271 2.430 1.230 1.00 0.00 C ATOM 796 CD1 TRP A 53 -8.075 2.231 0.602 1.00 0.00 C ATOM 797 CD2 TRP A 53 -9.995 3.372 0.430 1.00 0.00 C ATOM 798 NE1 TRP A 53 -8.011 2.992 -0.541 1.00 0.00 N ATOM 799 CE2 TRP A 53 -9.176 3.700 -0.669 1.00 0.00 C ATOM 800 CE3 TRP A 53 -11.254 3.967 0.534 1.00 0.00 C ATOM 801 CZ2 TRP A 53 -9.579 4.599 -1.653 1.00 0.00 C ATOM 802 CZ3 TRP A 53 -11.652 4.860 -0.444 1.00 0.00 C ATOM 803 CH2 TRP A 53 -10.817 5.168 -1.526 1.00 0.00 C ATOM 0 H TRP A 53 -9.258 0.798 4.709 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.562 3.233 3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.237 0.829 2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.804 1.590 2.433 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.294 1.572 0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.224 3.024 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.905 3.734 1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -8.937 4.839 -2.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.623 5.328 -0.373 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.157 5.868 -2.275 1.00 0.00 H new ATOM 814 N PHE A 54 -11.779 3.064 4.350 1.00 0.00 N ATOM 815 CA PHE A 54 -12.964 3.875 4.599 1.00 0.00 C ATOM 816 C PHE A 54 -12.836 4.636 5.915 1.00 0.00 C ATOM 817 O PHE A 54 -13.237 5.796 6.016 1.00 0.00 O ATOM 818 CB PHE A 54 -14.215 2.994 4.627 1.00 0.00 C ATOM 819 CG PHE A 54 -14.688 2.580 3.264 1.00 0.00 C ATOM 820 CD1 PHE A 54 -13.944 1.696 2.497 1.00 0.00 C ATOM 821 CD2 PHE A 54 -15.874 3.074 2.747 1.00 0.00 C ATOM 822 CE1 PHE A 54 -14.376 1.313 1.242 1.00 0.00 C ATOM 823 CE2 PHE A 54 -16.311 2.694 1.492 1.00 0.00 C ATOM 824 CZ PHE A 54 -15.561 1.813 0.738 1.00 0.00 C ATOM 0 H PHE A 54 -11.916 2.063 4.491 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.055 4.598 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.008 2.101 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.017 3.532 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.016 1.302 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.464 3.764 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.788 0.623 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.238 3.086 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.900 1.516 -0.243 1.00 0.00 H new ATOM 834 N ASP A 55 -12.274 3.975 6.921 1.00 0.00 N ATOM 835 CA ASP A 55 -12.092 4.589 8.232 1.00 0.00 C ATOM 836 C ASP A 55 -11.279 5.875 8.121 1.00 0.00 C ATOM 837 O ASP A 55 -11.578 6.868 8.785 1.00 0.00 O ATOM 838 CB ASP A 55 -11.397 3.613 9.183 1.00 0.00 C ATOM 839 CG ASP A 55 -12.381 2.753 9.951 1.00 0.00 C ATOM 840 OD1 ASP A 55 -13.532 3.198 10.145 1.00 0.00 O ATOM 841 OD2 ASP A 55 -12.000 1.636 10.357 1.00 0.00 O ATOM 0 H ASP A 55 -11.937 3.015 6.854 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.076 4.835 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.726 2.971 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.781 4.173 9.887 1.00 0.00 H new ATOM 846 N SER A 56 -10.251 5.850 7.278 1.00 0.00 N ATOM 847 CA SER A 56 -9.393 7.013 7.084 1.00 0.00 C ATOM 848 C SER A 56 -10.161 8.149 6.415 1.00 0.00 C ATOM 849 O SER A 56 -9.965 9.320 6.740 1.00 0.00 O ATOM 850 CB SER A 56 -8.175 6.638 6.238 1.00 0.00 C ATOM 851 OG SER A 56 -7.182 7.648 6.299 1.00 0.00 O ATOM 0 H SER A 56 -9.992 5.037 6.719 1.00 0.00 H new ATOM 0 HA SER A 56 -9.056 7.353 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.760 5.694 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.480 6.485 5.203 1.00 0.00 H new ATOM 0 HG SER A 56 -6.413 7.384 5.752 1.00 0.00 H new ATOM 857 N ARG A 57 -11.036 7.794 5.481 1.00 0.00 N ATOM 858 CA ARG A 57 -11.833 8.782 4.765 1.00 0.00 C ATOM 859 C ARG A 57 -12.785 9.504 5.714 1.00 0.00 C ATOM 860 O ARG A 57 -12.912 10.729 5.672 1.00 0.00 O ATOM 861 CB ARG A 57 -12.627 8.112 3.642 1.00 0.00 C ATOM 862 CG ARG A 57 -11.776 7.721 2.445 1.00 0.00 C ATOM 863 CD ARG A 57 -11.605 8.882 1.479 1.00 0.00 C ATOM 864 NE ARG A 57 -10.465 9.723 1.830 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.218 10.900 1.267 1.00 0.00 C ATOM 866 NH1 ARG A 57 -11.028 11.373 0.329 1.00 0.00 N ATOM 867 NH2 ARG A 57 -9.160 11.608 1.640 1.00 0.00 N ATOM 0 H ARG A 57 -11.211 6.829 5.202 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.153 9.516 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.116 7.221 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.415 8.789 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.797 7.384 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.239 6.881 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.473 8.496 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.513 9.486 1.474 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.822 9.388 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.843 10.832 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.836 12.277 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.534 11.249 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.972 12.512 1.206 1.00 0.00 H new ATOM 881 N LEU A 58 -13.453 8.738 6.569 1.00 0.00 N ATOM 882 CA LEU A 58 -14.394 9.305 7.530 1.00 0.00 C ATOM 883 C LEU A 58 -13.730 10.393 8.366 1.00 0.00 C ATOM 884 O LEU A 58 -12.520 10.382 8.597 1.00 0.00 O ATOM 885 CB LEU A 58 -14.943 8.206 8.444 1.00 0.00 C ATOM 886 CG LEU A 58 -15.843 7.166 7.776 1.00 0.00 C ATOM 887 CD1 LEU A 58 -15.869 5.882 8.591 1.00 0.00 C ATOM 888 CD2 LEU A 58 -17.251 7.715 7.600 1.00 0.00 C ATOM 0 H LEU A 58 -13.361 7.723 6.617 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.218 9.753 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.101 7.688 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -15.504 8.678 9.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.436 6.940 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -16.514 5.153 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.859 5.479 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.252 6.093 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.878 6.962 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -17.667 7.969 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.218 8.608 6.976 1.00 0.00 H new ATOM 900 N PRO A 59 -14.538 11.356 8.835 1.00 0.00 N ATOM 901 CA PRO A 59 -14.051 12.468 9.655 1.00 0.00 C ATOM 902 C PRO A 59 -13.621 12.018 11.047 1.00 0.00 C ATOM 903 O PRO A 59 -14.397 12.090 11.999 1.00 0.00 O ATOM 904 CB PRO A 59 -15.263 13.400 9.745 1.00 0.00 C ATOM 905 CG PRO A 59 -16.440 12.509 9.546 1.00 0.00 C ATOM 906 CD PRO A 59 -15.990 11.432 8.598 1.00 0.00 C ATOM 0 HA PRO A 59 -13.167 12.936 9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.305 13.902 10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.222 14.178 8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.770 12.082 10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.284 13.063 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.482 10.482 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.216 11.688 7.563 1.00 0.00 H new ATOM 914 N GLN A 60 -12.381 11.553 11.156 1.00 0.00 N ATOM 915 CA GLN A 60 -11.849 11.091 12.433 1.00 0.00 C ATOM 916 C GLN A 60 -10.416 11.573 12.632 1.00 0.00 C ATOM 917 O GLN A 60 -9.628 11.660 11.691 1.00 0.00 O ATOM 918 CB GLN A 60 -11.900 9.563 12.506 1.00 0.00 C ATOM 919 CG GLN A 60 -10.992 8.875 11.500 1.00 0.00 C ATOM 920 CD GLN A 60 -9.596 8.636 12.040 1.00 0.00 C ATOM 921 OE1 GLN A 60 -9.289 8.994 13.176 1.00 0.00 O ATOM 922 NE2 GLN A 60 -8.742 8.028 11.224 1.00 0.00 N ATOM 0 H GLN A 60 -11.726 11.486 10.377 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.467 11.508 13.228 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.621 9.246 13.511 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.926 9.234 12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.434 7.921 11.211 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.929 9.484 10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.041 7.749 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.788 7.841 11.532 1.00 0.00 H new ATOM 931 N PRO A 61 -10.069 11.896 13.887 1.00 0.00 N ATOM 932 CA PRO A 61 -8.730 12.376 14.241 1.00 0.00 C ATOM 933 C PRO A 61 -7.674 11.281 14.126 1.00 0.00 C ATOM 934 O PRO A 61 -7.725 10.279 14.838 1.00 0.00 O ATOM 935 CB PRO A 61 -8.884 12.818 15.698 1.00 0.00 C ATOM 936 CG PRO A 61 -10.023 12.013 16.220 1.00 0.00 C ATOM 937 CD PRO A 61 -10.959 11.816 15.059 1.00 0.00 C ATOM 0 HA PRO A 61 -8.392 13.170 13.575 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.973 12.631 16.267 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.089 13.886 15.768 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.678 11.055 16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.522 12.529 17.040 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.468 10.854 15.112 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.731 12.584 15.030 1.00 0.00 H new ATOM 945 N ALA A 62 -6.717 11.482 13.225 1.00 0.00 N ATOM 946 CA ALA A 62 -5.648 10.513 13.019 1.00 0.00 C ATOM 947 C ALA A 62 -4.520 11.110 12.185 1.00 0.00 C ATOM 948 O ALA A 62 -4.759 11.695 11.129 1.00 0.00 O ATOM 949 CB ALA A 62 -6.192 9.258 12.353 1.00 0.00 C ATOM 0 H ALA A 62 -6.661 12.306 12.627 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.242 10.245 13.994 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.382 8.544 12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.958 8.812 12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.627 9.518 11.388 1.00 0.00 H new ATOM 955 N GLU A 63 -3.289 10.960 12.666 1.00 0.00 N ATOM 956 CA GLU A 63 -2.125 11.487 11.963 1.00 0.00 C ATOM 957 C GLU A 63 -1.455 10.399 11.129 1.00 0.00 C ATOM 958 O GLU A 63 -0.940 9.417 11.666 1.00 0.00 O ATOM 959 CB GLU A 63 -1.122 12.071 12.960 1.00 0.00 C ATOM 960 CG GLU A 63 -1.420 13.508 13.351 1.00 0.00 C ATOM 961 CD GLU A 63 -0.742 13.913 14.646 1.00 0.00 C ATOM 962 OE1 GLU A 63 -1.232 13.510 15.722 1.00 0.00 O ATOM 963 OE2 GLU A 63 0.277 14.631 14.584 1.00 0.00 O ATOM 0 H GLU A 63 -3.073 10.478 13.539 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.463 12.277 11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.113 11.453 13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.122 12.020 12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.094 14.173 12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.497 13.637 13.454 1.00 0.00 H new ATOM 970 N VAL A 64 -1.467 10.579 9.812 1.00 0.00 N ATOM 971 CA VAL A 64 -0.861 9.614 8.902 1.00 0.00 C ATOM 972 C VAL A 64 -0.301 10.304 7.663 1.00 0.00 C ATOM 973 O VAL A 64 -0.828 11.322 7.216 1.00 0.00 O ATOM 974 CB VAL A 64 -1.874 8.540 8.465 1.00 0.00 C ATOM 975 CG1 VAL A 64 -3.010 9.169 7.673 1.00 0.00 C ATOM 976 CG2 VAL A 64 -1.183 7.455 7.654 1.00 0.00 C ATOM 0 H VAL A 64 -1.890 11.385 9.351 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.048 9.134 9.446 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.297 8.079 9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.716 8.395 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.521 9.906 8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.608 9.658 6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.914 6.704 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.731 7.897 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.409 6.985 8.260 1.00 0.00 H new ATOM 986 N SER A 65 0.770 9.741 7.111 1.00 0.00 N ATOM 987 CA SER A 65 1.403 10.304 5.925 1.00 0.00 C ATOM 988 C SER A 65 0.368 10.594 4.843 1.00 0.00 C ATOM 989 O SER A 65 -0.735 10.047 4.859 1.00 0.00 O ATOM 990 CB SER A 65 2.466 9.345 5.386 1.00 0.00 C ATOM 991 OG SER A 65 3.658 9.426 6.147 1.00 0.00 O ATOM 0 H SER A 65 1.217 8.896 7.467 1.00 0.00 H new ATOM 0 HA SER A 65 1.880 11.243 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.085 8.324 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.679 9.582 4.344 1.00 0.00 H new ATOM 0 HG SER A 65 4.321 8.802 5.784 1.00 0.00 H new ATOM 997 N GLY A 66 0.731 11.459 3.901 1.00 0.00 N ATOM 998 CA GLY A 66 -0.176 11.809 2.823 1.00 0.00 C ATOM 999 C GLY A 66 0.250 11.218 1.494 1.00 0.00 C ATOM 1000 O GLY A 66 0.920 11.865 0.689 1.00 0.00 O ATOM 0 H GLY A 66 1.638 11.924 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.179 11.460 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.229 12.894 2.735 1.00 0.00 H new ATOM 1004 N PRO A 67 -0.143 9.959 1.248 1.00 0.00 N ATOM 1005 CA PRO A 67 0.191 9.254 0.007 1.00 0.00 C ATOM 1006 C PRO A 67 -0.546 9.823 -1.201 1.00 0.00 C ATOM 1007 O PRO A 67 -1.575 10.483 -1.058 1.00 0.00 O ATOM 1008 CB PRO A 67 -0.263 7.818 0.282 1.00 0.00 C ATOM 1009 CG PRO A 67 -1.331 7.949 1.313 1.00 0.00 C ATOM 1010 CD PRO A 67 -0.944 9.128 2.162 1.00 0.00 C ATOM 0 HA PRO A 67 1.249 9.342 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.642 7.343 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.562 7.204 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.305 8.105 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.406 7.043 1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.820 9.664 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.368 8.822 3.036 1.00 0.00 H new ATOM 1018 N SER A 68 -0.012 9.563 -2.390 1.00 0.00 N ATOM 1019 CA SER A 68 -0.617 10.053 -3.623 1.00 0.00 C ATOM 1020 C SER A 68 -0.834 8.913 -4.612 1.00 0.00 C ATOM 1021 O SER A 68 -0.066 7.951 -4.645 1.00 0.00 O ATOM 1022 CB SER A 68 0.264 11.133 -4.254 1.00 0.00 C ATOM 1023 OG SER A 68 -0.492 11.970 -5.111 1.00 0.00 O ATOM 0 H SER A 68 0.838 9.016 -2.526 1.00 0.00 H new ATOM 0 HA SER A 68 -1.587 10.485 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.727 11.733 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.072 10.665 -4.817 1.00 0.00 H new ATOM 0 HG SER A 68 0.093 12.653 -5.501 1.00 0.00 H new ATOM 1029 N SER A 69 -1.884 9.027 -5.418 1.00 0.00 N ATOM 1030 CA SER A 69 -2.205 8.005 -6.407 1.00 0.00 C ATOM 1031 C SER A 69 -1.002 7.718 -7.301 1.00 0.00 C ATOM 1032 O SER A 69 -0.467 8.617 -7.948 1.00 0.00 O ATOM 1033 CB SER A 69 -3.396 8.446 -7.260 1.00 0.00 C ATOM 1034 OG SER A 69 -4.570 8.563 -6.475 1.00 0.00 O ATOM 0 H SER A 69 -2.528 9.818 -5.406 1.00 0.00 H new ATOM 0 HA SER A 69 -2.468 7.090 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.174 9.403 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.561 7.725 -8.061 1.00 0.00 H new ATOM 0 HG SER A 69 -5.316 8.848 -7.043 1.00 0.00 H new ATOM 1040 N GLY A 70 -0.582 6.456 -7.331 1.00 0.00 N ATOM 1041 CA GLY A 70 0.553 6.072 -8.148 1.00 0.00 C ATOM 1042 C GLY A 70 0.195 5.026 -9.184 1.00 0.00 C ATOM 1043 O GLY A 70 0.987 4.128 -9.471 1.00 0.00 O ATOM 0 H GLY A 70 -1.008 5.694 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.950 6.954 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.345 5.687 -7.506 1.00 0.00 H new TER 1047 GLY A 70