USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 161:sc= 0.896 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.13 K(o=-0.78,f=-7.1!) USER MOD Set 1.3: A 73 TYR OH : rot 150:sc= -0.544 USER MOD Set 2.1: A 63 LYS NZ :NH3+ -127:sc= 2.42 (180deg=-1.3) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.294 K(o=2.7,f=-11!) USER MOD Set 3.1: A 49 TYR OH : rot -104:sc= 0 USER MOD Set 3.2: A 53 SER OG : rot -170:sc= -0.0329 USER MOD Set 4.1: A 37 CYS SG : rot -31:sc= -1.68! USER MOD Set 4.2: A 40 CYS SG : rot -151:sc= -1.9! USER MOD Set 5.1: A 24 GLN : amide:sc= 0.113 K(o=0.23,f=-1.5) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.115 X(o=0.23,f=0) USER MOD Set 6.1: A 13 ASN : amide:sc= 1.55 K(o=2,f=-0.33) USER MOD Set 6.2: A 17 SER OG : rot 115:sc= 0.491 USER MOD Single : A 1 LEU N :NH3+ -167:sc= 0.964 (180deg=0.83) USER MOD Single : A 9 THR OG1 : rot 100:sc= -1.62! USER MOD Single : A 15 GLN : amide:sc= -0.789 K(o=-0.79,f=-2.6) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 0.261 (180deg=-1.68) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -23:sc= 0.388 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -0.238 K(o=-0.24,f=-8.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 36 HIS : no HE2:sc= -6.36! C(o=-6.4!,f=-11!) USER MOD Single : A 38 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.1!) USER MOD Single : A 44 SER OG : rot 36:sc= 0.0649 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.07) USER MOD Single : A 58 ASN : amide:sc= 0.404 K(o=0.4,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.2) USER MOD Single : A 60 GLN : amide:sc= 0.211 K(o=0.21,f=-6.5!) USER MOD Single : A 67 GLN : amide:sc= 0.566 K(o=0.57,f=-4.5!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 64.814 -21.401 7.854 1.00 0.00 N ATOM 2 CA LEU A 1 63.446 -21.273 7.256 1.00 0.00 C ATOM 3 C LEU A 1 62.941 -19.834 7.468 1.00 0.00 C ATOM 4 O LEU A 1 62.761 -19.398 8.594 1.00 0.00 O ATOM 5 CB LEU A 1 62.483 -22.284 7.917 1.00 0.00 C ATOM 6 CG LEU A 1 62.004 -23.310 6.875 1.00 0.00 C ATOM 7 CD1 LEU A 1 62.400 -24.720 7.314 1.00 0.00 C ATOM 8 CD2 LEU A 1 60.481 -23.236 6.744 1.00 0.00 C ATOM 0 H1 LEU A 1 65.253 -22.287 7.530 1.00 0.00 H new ATOM 0 H2 LEU A 1 65.400 -20.595 7.556 1.00 0.00 H new ATOM 0 H3 LEU A 1 64.740 -21.410 8.891 1.00 0.00 H new ATOM 0 HA LEU A 1 63.489 -21.489 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 1 62.986 -22.795 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 1 61.628 -21.760 8.343 1.00 0.00 H new ATOM 0 HG LEU A 1 62.468 -23.084 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 1 62.058 -25.442 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 1 63.484 -24.781 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 1 61.940 -24.944 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 1 60.144 -23.963 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 1 60.022 -23.457 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 1 60.191 -22.235 6.426 1.00 0.00 H new ATOM 22 N GLU A 2 62.755 -19.096 6.391 1.00 0.00 N ATOM 23 CA GLU A 2 62.302 -17.664 6.495 1.00 0.00 C ATOM 24 C GLU A 2 60.968 -17.457 5.741 1.00 0.00 C ATOM 25 O GLU A 2 60.509 -18.331 5.019 1.00 0.00 O ATOM 26 CB GLU A 2 63.395 -16.758 5.891 1.00 0.00 C ATOM 27 CG GLU A 2 64.703 -16.883 6.709 1.00 0.00 C ATOM 28 CD GLU A 2 65.628 -17.949 6.101 1.00 0.00 C ATOM 29 OE1 GLU A 2 66.156 -17.710 5.031 1.00 0.00 O ATOM 30 OE2 GLU A 2 65.794 -18.986 6.718 1.00 0.00 O ATOM 0 H GLU A 2 62.899 -19.428 5.437 1.00 0.00 H new ATOM 0 HA GLU A 2 62.140 -17.410 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 2 63.578 -17.038 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 2 63.057 -15.722 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 2 65.216 -15.921 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 2 64.468 -17.145 7.741 1.00 0.00 H new ATOM 37 N ASP A 3 60.365 -16.290 5.894 1.00 0.00 N ATOM 38 CA ASP A 3 59.079 -15.975 5.200 1.00 0.00 C ATOM 39 C ASP A 3 59.236 -14.637 4.440 1.00 0.00 C ATOM 40 O ASP A 3 58.632 -13.627 4.772 1.00 0.00 O ATOM 41 CB ASP A 3 57.927 -15.905 6.232 1.00 0.00 C ATOM 42 CG ASP A 3 56.594 -16.282 5.567 1.00 0.00 C ATOM 43 OD1 ASP A 3 56.261 -15.689 4.557 1.00 0.00 O ATOM 44 OD2 ASP A 3 55.924 -17.155 6.079 1.00 0.00 O ATOM 0 H ASP A 3 60.722 -15.537 6.482 1.00 0.00 H new ATOM 0 HA ASP A 3 58.835 -16.759 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 3 58.131 -16.581 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 3 57.863 -14.900 6.648 1.00 0.00 H new ATOM 49 N ARG A 4 60.064 -14.641 3.413 1.00 0.00 N ATOM 50 CA ARG A 4 60.303 -13.397 2.573 1.00 0.00 C ATOM 51 C ARG A 4 58.985 -12.863 1.944 1.00 0.00 C ATOM 52 O ARG A 4 58.864 -11.687 1.656 1.00 0.00 O ATOM 53 CB ARG A 4 61.323 -13.716 1.469 1.00 0.00 C ATOM 54 CG ARG A 4 62.713 -13.916 2.089 1.00 0.00 C ATOM 55 CD ARG A 4 63.508 -14.915 1.248 1.00 0.00 C ATOM 56 NE ARG A 4 64.953 -14.850 1.638 1.00 0.00 N ATOM 57 CZ ARG A 4 65.418 -15.616 2.578 1.00 0.00 C ATOM 58 NH1 ARG A 4 65.646 -16.870 2.344 1.00 0.00 N ATOM 59 NH2 ARG A 4 65.660 -15.117 3.748 1.00 0.00 N ATOM 0 H ARG A 4 60.593 -15.459 3.113 1.00 0.00 H new ATOM 0 HA ARG A 4 60.693 -12.616 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 4 61.022 -14.615 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 4 61.352 -12.904 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 4 63.241 -12.964 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 4 62.618 -14.280 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 4 63.123 -15.923 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 4 63.395 -14.687 0.188 1.00 0.00 H new ATOM 0 HE ARG A 4 65.577 -14.199 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 4 65.460 -17.258 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 4 66.011 -17.469 3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 4 65.485 -14.128 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 4 66.025 -15.713 4.491 1.00 0.00 H new ATOM 73 N ARG A 5 58.006 -13.721 1.779 1.00 0.00 N ATOM 74 CA ARG A 5 56.651 -13.305 1.218 1.00 0.00 C ATOM 75 C ARG A 5 55.727 -12.716 2.328 1.00 0.00 C ATOM 76 O ARG A 5 54.644 -12.238 2.027 1.00 0.00 O ATOM 77 CB ARG A 5 55.892 -14.494 0.576 1.00 0.00 C ATOM 78 CG ARG A 5 56.243 -15.842 1.224 1.00 0.00 C ATOM 79 CD ARG A 5 55.024 -16.776 1.198 1.00 0.00 C ATOM 80 NE ARG A 5 54.887 -17.445 2.535 1.00 0.00 N ATOM 81 CZ ARG A 5 53.726 -17.535 3.110 1.00 0.00 C ATOM 82 NH1 ARG A 5 52.935 -18.521 2.827 1.00 0.00 N ATOM 83 NH2 ARG A 5 53.370 -16.638 3.962 1.00 0.00 N ATOM 0 H ARG A 5 58.077 -14.712 2.009 1.00 0.00 H new ATOM 0 HA ARG A 5 56.871 -12.552 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 5 54.819 -14.323 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 5 56.124 -14.536 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 5 57.075 -16.303 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 5 56.569 -15.686 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 5 54.122 -16.210 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 5 55.140 -17.524 0.414 1.00 0.00 H new ATOM 0 HE ARG A 5 55.711 -17.831 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 5 53.224 -19.229 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 5 52.024 -18.590 3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 5 53.998 -15.865 4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 5 52.460 -16.701 4.418 1.00 0.00 H new ATOM 97 N ILE A 6 56.139 -12.798 3.589 1.00 0.00 N ATOM 98 CA ILE A 6 55.348 -12.325 4.782 1.00 0.00 C ATOM 99 C ILE A 6 54.329 -13.440 5.126 1.00 0.00 C ATOM 100 O ILE A 6 53.656 -13.934 4.237 1.00 0.00 O ATOM 101 CB ILE A 6 54.642 -10.965 4.557 1.00 0.00 C ATOM 102 CG1 ILE A 6 55.591 -9.964 3.863 1.00 0.00 C ATOM 103 CG2 ILE A 6 54.227 -10.380 5.911 1.00 0.00 C ATOM 104 CD1 ILE A 6 54.828 -8.686 3.492 1.00 0.00 C ATOM 0 H ILE A 6 57.043 -13.197 3.844 1.00 0.00 H new ATOM 0 HA ILE A 6 56.032 -12.145 5.612 1.00 0.00 H new ATOM 0 HB ILE A 6 53.770 -11.131 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 6 56.423 -9.721 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 6 56.017 -10.416 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 6 53.730 -9.422 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 6 53.544 -11.067 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 6 55.112 -10.234 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 6 55.506 -7.986 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 6 54.011 -8.934 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 6 54.424 -8.228 4.395 1.00 0.00 H new ATOM 116 N PRO A 7 54.284 -13.846 6.398 1.00 0.00 N ATOM 117 CA PRO A 7 53.411 -14.943 6.871 1.00 0.00 C ATOM 118 C PRO A 7 51.893 -14.652 6.717 1.00 0.00 C ATOM 119 O PRO A 7 51.520 -13.813 5.924 1.00 0.00 O ATOM 120 CB PRO A 7 53.861 -15.187 8.312 1.00 0.00 C ATOM 121 CG PRO A 7 54.576 -13.918 8.746 1.00 0.00 C ATOM 122 CD PRO A 7 55.073 -13.238 7.468 1.00 0.00 C ATOM 0 HA PRO A 7 53.519 -15.840 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 7 53.008 -15.395 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 7 54.525 -16.050 8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 7 53.902 -13.262 9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 7 55.408 -14.150 9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 7 54.922 -12.159 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 7 56.140 -13.405 7.319 1.00 0.00 H new ATOM 130 N GLY A 8 51.037 -15.380 7.463 1.00 0.00 N ATOM 131 CA GLY A 8 49.515 -15.262 7.416 1.00 0.00 C ATOM 132 C GLY A 8 49.043 -13.950 6.796 1.00 0.00 C ATOM 133 O GLY A 8 48.364 -13.967 5.820 1.00 0.00 O ATOM 0 H GLY A 8 51.359 -16.081 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 8 49.108 -16.096 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 8 49.117 -15.345 8.427 1.00 0.00 H new ATOM 137 N THR A 9 49.450 -12.843 7.374 1.00 0.00 N ATOM 138 CA THR A 9 49.113 -11.432 6.887 1.00 0.00 C ATOM 139 C THR A 9 49.014 -11.331 5.345 1.00 0.00 C ATOM 140 O THR A 9 48.135 -10.679 4.838 1.00 0.00 O ATOM 141 CB THR A 9 50.201 -10.430 7.343 1.00 0.00 C ATOM 142 OG1 THR A 9 51.437 -10.698 6.688 1.00 0.00 O ATOM 143 CG2 THR A 9 50.426 -10.505 8.848 1.00 0.00 C ATOM 0 H THR A 9 50.035 -12.846 8.210 1.00 0.00 H new ATOM 0 HA THR A 9 48.141 -11.195 7.320 1.00 0.00 H new ATOM 0 HB THR A 9 49.849 -9.433 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 51.553 -10.075 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 9 51.196 -9.789 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 49.497 -10.268 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 9 50.746 -11.511 9.118 1.00 0.00 H new ATOM 151 N ALA A 10 49.907 -11.963 4.609 1.00 0.00 N ATOM 152 CA ALA A 10 49.863 -11.908 3.099 1.00 0.00 C ATOM 153 C ALA A 10 48.676 -12.759 2.599 1.00 0.00 C ATOM 154 O ALA A 10 47.831 -12.274 1.864 1.00 0.00 O ATOM 155 CB ALA A 10 51.186 -12.438 2.557 1.00 0.00 C ATOM 0 H ALA A 10 50.672 -12.520 4.991 1.00 0.00 H new ATOM 0 HA ALA A 10 49.723 -10.885 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 10 51.172 -12.406 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 10 52.004 -11.821 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 10 51.329 -13.467 2.888 1.00 0.00 H new ATOM 161 N GLU A 11 48.570 -13.991 3.059 1.00 0.00 N ATOM 162 CA GLU A 11 47.382 -14.865 2.705 1.00 0.00 C ATOM 163 C GLU A 11 46.105 -14.181 3.285 1.00 0.00 C ATOM 164 O GLU A 11 45.055 -14.163 2.669 1.00 0.00 O ATOM 165 CB GLU A 11 47.565 -16.261 3.335 1.00 0.00 C ATOM 166 CG GLU A 11 48.813 -16.953 2.740 1.00 0.00 C ATOM 167 CD GLU A 11 49.937 -17.040 3.783 1.00 0.00 C ATOM 168 OE1 GLU A 11 50.408 -16.006 4.221 1.00 0.00 O ATOM 169 OE2 GLU A 11 50.335 -18.146 4.104 1.00 0.00 O ATOM 0 H GLU A 11 49.257 -14.435 3.668 1.00 0.00 H new ATOM 0 HA GLU A 11 47.293 -14.982 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 11 47.671 -16.170 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 46.680 -16.870 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 11 48.551 -17.954 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 11 49.161 -16.398 1.869 1.00 0.00 H new ATOM 176 N GLU A 12 46.252 -13.567 4.453 1.00 0.00 N ATOM 177 CA GLU A 12 45.176 -12.793 5.150 1.00 0.00 C ATOM 178 C GLU A 12 44.780 -11.583 4.256 1.00 0.00 C ATOM 179 O GLU A 12 43.618 -11.212 4.171 1.00 0.00 O ATOM 180 CB GLU A 12 45.791 -12.325 6.526 1.00 0.00 C ATOM 181 CG GLU A 12 45.674 -10.799 6.753 1.00 0.00 C ATOM 182 CD GLU A 12 45.312 -10.491 8.201 1.00 0.00 C ATOM 183 OE1 GLU A 12 46.147 -10.707 9.061 1.00 0.00 O ATOM 184 OE2 GLU A 12 44.208 -10.015 8.412 1.00 0.00 O ATOM 0 H GLU A 12 47.131 -13.580 4.970 1.00 0.00 H new ATOM 0 HA GLU A 12 44.276 -13.381 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 12 45.287 -12.847 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 12 46.842 -12.613 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 12 46.618 -10.316 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 12 44.915 -10.385 6.088 1.00 0.00 H new ATOM 191 N ASN A 13 45.777 -10.960 3.642 1.00 0.00 N ATOM 192 CA ASN A 13 45.593 -9.753 2.774 1.00 0.00 C ATOM 193 C ASN A 13 44.533 -9.990 1.693 1.00 0.00 C ATOM 194 O ASN A 13 43.420 -9.532 1.836 1.00 0.00 O ATOM 195 CB ASN A 13 46.962 -9.388 2.145 1.00 0.00 C ATOM 196 CG ASN A 13 47.502 -8.095 2.733 1.00 0.00 C ATOM 197 OD1 ASN A 13 47.324 -7.034 2.181 1.00 0.00 O ATOM 198 ND2 ASN A 13 48.157 -8.145 3.843 1.00 0.00 N ATOM 0 H ASN A 13 46.749 -11.261 3.718 1.00 0.00 H new ATOM 0 HA ASN A 13 45.233 -8.923 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 13 47.673 -10.196 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 13 46.854 -9.284 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 13 48.526 -7.289 4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 13 48.306 -9.041 4.307 1.00 0.00 H new ATOM 205 N LEU A 14 44.888 -10.686 0.631 1.00 0.00 N ATOM 206 CA LEU A 14 43.946 -10.971 -0.521 1.00 0.00 C ATOM 207 C LEU A 14 43.476 -9.635 -1.158 1.00 0.00 C ATOM 208 O LEU A 14 44.001 -9.217 -2.175 1.00 0.00 O ATOM 209 CB LEU A 14 42.757 -11.819 -0.042 1.00 0.00 C ATOM 210 CG LEU A 14 42.803 -13.161 -0.773 1.00 0.00 C ATOM 211 CD1 LEU A 14 42.904 -14.288 0.240 1.00 0.00 C ATOM 212 CD2 LEU A 14 41.543 -13.329 -1.612 1.00 0.00 C ATOM 0 H LEU A 14 45.820 -11.082 0.508 1.00 0.00 H new ATOM 0 HA LEU A 14 44.471 -11.544 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 14 42.808 -11.971 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 41.817 -11.306 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 14 43.674 -13.189 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 14 42.937 -15.244 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 14 43.812 -14.166 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 14 42.036 -14.264 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 41.577 -14.286 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 40.667 -13.300 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 14 41.481 -12.521 -2.341 1.00 0.00 H new ATOM 224 N GLN A 15 42.529 -8.960 -0.536 1.00 0.00 N ATOM 225 CA GLN A 15 42.029 -7.630 -1.032 1.00 0.00 C ATOM 226 C GLN A 15 41.655 -6.732 0.191 1.00 0.00 C ATOM 227 O GLN A 15 40.734 -5.929 0.125 1.00 0.00 O ATOM 228 CB GLN A 15 40.806 -7.822 -1.978 1.00 0.00 C ATOM 229 CG GLN A 15 39.942 -9.045 -1.581 1.00 0.00 C ATOM 230 CD GLN A 15 39.329 -8.850 -0.187 1.00 0.00 C ATOM 231 OE1 GLN A 15 39.748 -9.473 0.761 1.00 0.00 O ATOM 232 NE2 GLN A 15 38.354 -8.005 -0.018 1.00 0.00 N ATOM 0 H GLN A 15 42.071 -9.285 0.316 1.00 0.00 H new ATOM 0 HA GLN A 15 42.815 -7.139 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.190 -6.923 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 41.158 -7.945 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 15 39.149 -9.189 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 15 40.554 -9.947 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 15 37.995 -7.475 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 15 37.949 -7.872 0.909 1.00 0.00 H new ATOM 241 N LYS A 16 42.370 -6.869 1.311 1.00 0.00 N ATOM 242 CA LYS A 16 42.063 -6.046 2.537 1.00 0.00 C ATOM 243 C LYS A 16 43.342 -5.853 3.389 1.00 0.00 C ATOM 244 O LYS A 16 43.889 -6.801 3.939 1.00 0.00 O ATOM 245 CB LYS A 16 40.950 -6.732 3.374 1.00 0.00 C ATOM 246 CG LYS A 16 41.247 -8.234 3.577 1.00 0.00 C ATOM 247 CD LYS A 16 40.747 -8.698 4.955 1.00 0.00 C ATOM 248 CE LYS A 16 41.733 -8.277 6.058 1.00 0.00 C ATOM 249 NZ LYS A 16 43.030 -9.007 5.905 1.00 0.00 N ATOM 0 H LYS A 16 43.150 -7.518 1.418 1.00 0.00 H new ATOM 0 HA LYS A 16 41.708 -5.065 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 16 40.866 -6.241 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 16 39.989 -6.613 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 16 40.763 -8.816 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 16 42.319 -8.414 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.765 -8.270 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 16 40.629 -9.782 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 41.906 -7.202 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 41.304 -8.487 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.386 -9.283 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.883 -9.858 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 43.724 -8.388 5.440 1.00 0.00 H new ATOM 263 N SER A 17 43.814 -4.623 3.496 1.00 0.00 N ATOM 264 CA SER A 17 45.055 -4.322 4.303 1.00 0.00 C ATOM 265 C SER A 17 44.903 -2.973 5.045 1.00 0.00 C ATOM 266 O SER A 17 43.992 -2.205 4.772 1.00 0.00 O ATOM 267 CB SER A 17 46.266 -4.260 3.365 1.00 0.00 C ATOM 268 OG SER A 17 47.395 -4.810 4.034 1.00 0.00 O ATOM 0 H SER A 17 43.388 -3.808 3.055 1.00 0.00 H new ATOM 0 HA SER A 17 45.199 -5.111 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 46.063 -4.816 2.449 1.00 0.00 H new ATOM 0 HB3 SER A 17 46.465 -3.229 3.074 1.00 0.00 H new ATOM 0 HG SER A 17 47.677 -5.630 3.579 1.00 0.00 H new ATOM 274 N SER A 18 45.794 -2.683 5.979 1.00 0.00 N ATOM 275 CA SER A 18 45.721 -1.386 6.750 1.00 0.00 C ATOM 276 C SER A 18 47.031 -0.591 6.587 1.00 0.00 C ATOM 277 O SER A 18 48.105 -1.086 6.891 1.00 0.00 O ATOM 278 CB SER A 18 45.487 -1.681 8.235 1.00 0.00 C ATOM 279 OG SER A 18 45.183 -0.464 8.913 1.00 0.00 O ATOM 0 H SER A 18 46.570 -3.291 6.240 1.00 0.00 H new ATOM 0 HA SER A 18 44.895 -0.793 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 18 44.668 -2.391 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 18 46.373 -2.142 8.670 1.00 0.00 H new ATOM 0 HG SER A 18 45.031 -0.648 9.863 1.00 0.00 H new ATOM 285 N GLY A 19 46.938 0.640 6.115 1.00 0.00 N ATOM 286 CA GLY A 19 48.161 1.504 5.924 1.00 0.00 C ATOM 287 C GLY A 19 47.884 2.920 6.453 1.00 0.00 C ATOM 288 O GLY A 19 47.950 3.884 5.710 1.00 0.00 O ATOM 0 H GLY A 19 46.059 1.086 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 19 49.011 1.069 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 19 48.427 1.546 4.868 1.00 0.00 H new ATOM 292 N GLY A 20 47.570 3.042 7.732 1.00 0.00 N ATOM 293 CA GLY A 20 47.274 4.387 8.340 1.00 0.00 C ATOM 294 C GLY A 20 48.577 5.076 8.767 1.00 0.00 C ATOM 295 O GLY A 20 48.980 4.983 9.913 1.00 0.00 O ATOM 0 H GLY A 20 47.507 2.259 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 20 46.744 5.010 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 20 46.618 4.268 9.202 1.00 0.00 H new ATOM 299 N VAL A 21 49.231 5.768 7.851 1.00 0.00 N ATOM 300 CA VAL A 21 50.518 6.479 8.191 1.00 0.00 C ATOM 301 C VAL A 21 50.217 7.748 9.037 1.00 0.00 C ATOM 302 O VAL A 21 49.258 8.452 8.762 1.00 0.00 O ATOM 303 CB VAL A 21 51.301 6.856 6.909 1.00 0.00 C ATOM 304 CG1 VAL A 21 51.696 5.586 6.149 1.00 0.00 C ATOM 305 CG2 VAL A 21 50.458 7.743 5.990 1.00 0.00 C ATOM 0 H VAL A 21 48.929 5.871 6.882 1.00 0.00 H new ATOM 0 HA VAL A 21 51.140 5.802 8.776 1.00 0.00 H new ATOM 0 HB VAL A 21 52.193 7.406 7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 52.246 5.857 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 52.325 4.962 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 21 50.798 5.033 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 21 51.032 7.992 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 21 49.552 7.210 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 21 50.188 8.659 6.516 1.00 0.00 H new ATOM 315 N PRO A 22 51.042 8.006 10.053 1.00 0.00 N ATOM 316 CA PRO A 22 50.862 9.182 10.954 1.00 0.00 C ATOM 317 C PRO A 22 51.192 10.519 10.270 1.00 0.00 C ATOM 318 O PRO A 22 50.620 11.545 10.594 1.00 0.00 O ATOM 319 CB PRO A 22 51.810 8.895 12.121 1.00 0.00 C ATOM 320 CG PRO A 22 52.866 7.896 11.594 1.00 0.00 C ATOM 321 CD PRO A 22 52.226 7.173 10.396 1.00 0.00 C ATOM 0 HA PRO A 22 49.824 9.297 11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 22 52.284 9.812 12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 22 51.267 8.475 12.968 1.00 0.00 H new ATOM 0 HG2 PRO A 22 53.775 8.416 11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 53.148 7.185 12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 22 52.919 7.102 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 22 51.935 6.155 10.655 1.00 0.00 H new ATOM 329 N GLY A 23 52.093 10.503 9.325 1.00 0.00 N ATOM 330 CA GLY A 23 52.481 11.760 8.584 1.00 0.00 C ATOM 331 C GLY A 23 51.590 11.988 7.343 1.00 0.00 C ATOM 332 O GLY A 23 52.035 12.591 6.385 1.00 0.00 O ATOM 0 H GLY A 23 52.589 9.664 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 23 52.400 12.617 9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 23 53.524 11.694 8.276 1.00 0.00 H new ATOM 336 N GLN A 24 50.345 11.528 7.355 1.00 0.00 N ATOM 337 CA GLN A 24 49.423 11.726 6.175 1.00 0.00 C ATOM 338 C GLN A 24 48.870 13.162 6.120 1.00 0.00 C ATOM 339 O GLN A 24 48.730 13.734 5.054 1.00 0.00 O ATOM 340 CB GLN A 24 48.260 10.708 6.214 1.00 0.00 C ATOM 341 CG GLN A 24 47.485 10.785 7.546 1.00 0.00 C ATOM 342 CD GLN A 24 46.107 11.418 7.324 1.00 0.00 C ATOM 343 OE1 GLN A 24 45.889 12.559 7.668 1.00 0.00 O ATOM 344 NE2 GLN A 24 45.161 10.726 6.764 1.00 0.00 N ATOM 0 H GLN A 24 49.930 11.022 8.137 1.00 0.00 H new ATOM 0 HA GLN A 24 50.010 11.558 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 24 47.579 10.900 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 24 48.653 9.700 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 24 47.370 9.786 7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 24 48.050 11.372 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 24 45.337 9.765 6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 24 44.242 11.144 6.617 1.00 0.00 H new ATOM 353 N ASN A 25 48.576 13.733 7.260 1.00 0.00 N ATOM 354 CA ASN A 25 48.030 15.140 7.334 1.00 0.00 C ATOM 355 C ASN A 25 49.099 16.168 6.918 1.00 0.00 C ATOM 356 O ASN A 25 48.806 17.161 6.282 1.00 0.00 O ATOM 357 CB ASN A 25 47.544 15.415 8.767 1.00 0.00 C ATOM 358 CG ASN A 25 46.229 16.191 8.730 1.00 0.00 C ATOM 359 OD1 ASN A 25 46.199 17.362 9.025 1.00 0.00 O ATOM 360 ND2 ASN A 25 45.133 15.586 8.380 1.00 0.00 N ATOM 0 H ASN A 25 48.691 13.280 8.167 1.00 0.00 H new ATOM 0 HA ASN A 25 47.194 15.236 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 47.406 14.474 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 25 48.297 15.984 9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.252 16.100 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 25 45.154 14.597 8.130 1.00 0.00 H new ATOM 367 N THR A 26 50.331 15.895 7.252 1.00 0.00 N ATOM 368 CA THR A 26 51.488 16.800 6.872 1.00 0.00 C ATOM 369 C THR A 26 52.018 16.474 5.440 1.00 0.00 C ATOM 370 O THR A 26 52.943 17.109 4.955 1.00 0.00 O ATOM 371 CB THR A 26 52.621 16.649 7.924 1.00 0.00 C ATOM 372 OG1 THR A 26 53.770 17.392 7.536 1.00 0.00 O ATOM 373 CG2 THR A 26 53.018 15.178 8.065 1.00 0.00 C ATOM 0 H THR A 26 50.604 15.068 7.784 1.00 0.00 H new ATOM 0 HA THR A 26 51.138 17.832 6.860 1.00 0.00 H new ATOM 0 HB THR A 26 52.246 17.028 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 26 53.760 17.527 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 26 53.813 15.085 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 26 52.153 14.597 8.386 1.00 0.00 H new ATOM 0 HG23 THR A 26 53.371 14.803 7.104 1.00 0.00 H new ATOM 381 N GLY A 27 51.439 15.496 4.770 1.00 0.00 N ATOM 382 CA GLY A 27 51.882 15.116 3.385 1.00 0.00 C ATOM 383 C GLY A 27 52.910 13.992 3.478 1.00 0.00 C ATOM 384 O GLY A 27 54.094 14.250 3.510 1.00 0.00 O ATOM 0 H GLY A 27 50.666 14.938 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 51.026 14.794 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 27 52.314 15.979 2.879 1.00 0.00 H new ATOM 388 N GLY A 28 52.459 12.755 3.542 1.00 0.00 N ATOM 389 CA GLY A 28 53.401 11.586 3.657 1.00 0.00 C ATOM 390 C GLY A 28 53.909 11.162 2.275 1.00 0.00 C ATOM 391 O GLY A 28 54.938 11.634 1.823 1.00 0.00 O ATOM 0 H GLY A 28 51.471 12.504 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 28 54.244 11.853 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 28 52.893 10.749 4.136 1.00 0.00 H new ATOM 395 N GLN A 29 53.197 10.267 1.617 1.00 0.00 N ATOM 396 CA GLN A 29 53.622 9.771 0.256 1.00 0.00 C ATOM 397 C GLN A 29 53.585 10.909 -0.782 1.00 0.00 C ATOM 398 O GLN A 29 52.649 11.694 -0.821 1.00 0.00 O ATOM 399 CB GLN A 29 52.691 8.634 -0.200 1.00 0.00 C ATOM 400 CG GLN A 29 53.221 7.285 0.319 1.00 0.00 C ATOM 401 CD GLN A 29 52.505 6.897 1.621 1.00 0.00 C ATOM 402 OE1 GLN A 29 52.698 7.519 2.645 1.00 0.00 O ATOM 403 NE2 GLN A 29 51.681 5.891 1.629 1.00 0.00 N ATOM 0 H GLN A 29 52.332 9.855 1.967 1.00 0.00 H new ATOM 0 HA GLN A 29 54.645 9.402 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 29 51.682 8.806 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.629 8.616 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.066 6.512 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.295 7.351 0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 29 51.513 5.363 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 51.203 5.630 2.491 1.00 0.00 H new ATOM 412 N GLU A 30 54.612 10.978 -1.620 1.00 0.00 N ATOM 413 CA GLU A 30 54.722 12.028 -2.715 1.00 0.00 C ATOM 414 C GLU A 30 54.903 13.477 -2.164 1.00 0.00 C ATOM 415 O GLU A 30 55.021 14.410 -2.946 1.00 0.00 O ATOM 416 CB GLU A 30 53.475 11.985 -3.639 1.00 0.00 C ATOM 417 CG GLU A 30 53.041 10.530 -3.976 1.00 0.00 C ATOM 418 CD GLU A 30 54.241 9.650 -4.366 1.00 0.00 C ATOM 419 OE1 GLU A 30 54.802 9.874 -5.425 1.00 0.00 O ATOM 420 OE2 GLU A 30 54.570 8.762 -3.594 1.00 0.00 O ATOM 0 H GLU A 30 55.401 10.332 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 30 55.620 11.779 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 30 52.649 12.506 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 30 53.692 12.521 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.535 10.093 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.321 10.546 -4.794 1.00 0.00 H new ATOM 427 N ALA A 31 54.927 13.687 -0.852 1.00 0.00 N ATOM 428 CA ALA A 31 55.087 15.068 -0.293 1.00 0.00 C ATOM 429 C ALA A 31 56.338 15.144 0.624 1.00 0.00 C ATOM 430 O ALA A 31 57.455 15.132 0.128 1.00 0.00 O ATOM 431 CB ALA A 31 53.778 15.438 0.429 1.00 0.00 C ATOM 0 H ALA A 31 54.841 12.951 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 31 55.261 15.797 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 53.864 16.441 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 31 52.951 15.411 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 53.591 14.725 1.232 1.00 0.00 H new ATOM 437 N ARG A 32 56.162 15.236 1.934 1.00 0.00 N ATOM 438 CA ARG A 32 57.311 15.330 2.915 1.00 0.00 C ATOM 439 C ARG A 32 58.243 16.521 2.537 1.00 0.00 C ATOM 440 O ARG A 32 59.374 16.314 2.134 1.00 0.00 O ATOM 441 CB ARG A 32 58.073 13.990 2.937 1.00 0.00 C ATOM 442 CG ARG A 32 57.206 12.919 3.623 1.00 0.00 C ATOM 443 CD ARG A 32 57.614 12.758 5.091 1.00 0.00 C ATOM 444 NE ARG A 32 57.133 13.934 5.904 1.00 0.00 N ATOM 445 CZ ARG A 32 55.868 14.270 5.947 1.00 0.00 C ATOM 446 NH1 ARG A 32 54.951 13.360 6.103 1.00 0.00 N ATOM 447 NH2 ARG A 32 55.540 15.524 5.860 1.00 0.00 N ATOM 0 H ARG A 32 55.242 15.250 2.375 1.00 0.00 H new ATOM 0 HA ARG A 32 56.930 15.521 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 32 58.316 13.681 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 32 59.017 14.105 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 32 56.154 13.199 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 32 57.314 11.967 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 57.195 11.835 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 32 58.698 12.675 5.166 1.00 0.00 H new ATOM 0 HE ARG A 32 57.811 14.482 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 32 55.216 12.379 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 32 53.967 13.628 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 32 56.265 16.235 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 54.558 15.798 5.892 1.00 0.00 H new ATOM 461 N PRO A 33 57.717 17.746 2.655 1.00 0.00 N ATOM 462 CA PRO A 33 58.446 18.975 2.305 1.00 0.00 C ATOM 463 C PRO A 33 59.639 19.311 3.225 1.00 0.00 C ATOM 464 O PRO A 33 59.735 18.857 4.348 1.00 0.00 O ATOM 465 CB PRO A 33 57.367 20.057 2.313 1.00 0.00 C ATOM 466 CG PRO A 33 56.212 19.528 3.143 1.00 0.00 C ATOM 467 CD PRO A 33 56.361 18.016 3.155 1.00 0.00 C ATOM 0 HA PRO A 33 58.940 18.871 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 33 57.754 20.984 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 33 57.040 20.283 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 33 56.243 19.931 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 33 55.255 19.822 2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 33 56.228 17.617 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 33 55.609 17.543 2.523 1.00 0.00 H new ATOM 475 N ASN A 34 60.554 20.121 2.713 1.00 0.00 N ATOM 476 CA ASN A 34 61.782 20.534 3.481 1.00 0.00 C ATOM 477 C ASN A 34 61.433 21.711 4.422 1.00 0.00 C ATOM 478 O ASN A 34 61.918 22.820 4.256 1.00 0.00 O ATOM 479 CB ASN A 34 62.891 20.970 2.488 1.00 0.00 C ATOM 480 CG ASN A 34 63.108 19.930 1.379 1.00 0.00 C ATOM 481 OD1 ASN A 34 62.965 18.750 1.589 1.00 0.00 O ATOM 482 ND2 ASN A 34 63.462 20.326 0.196 1.00 0.00 N ATOM 0 H ASN A 34 60.495 20.519 1.776 1.00 0.00 H new ATOM 0 HA ASN A 34 62.139 19.693 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 34 62.622 21.927 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 34 63.824 21.123 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 34 63.617 19.643 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 34 63.586 21.321 0.007 1.00 0.00 H new ATOM 489 N TYR A 35 60.588 21.474 5.403 1.00 0.00 N ATOM 490 CA TYR A 35 60.184 22.556 6.354 1.00 0.00 C ATOM 491 C TYR A 35 61.355 22.918 7.272 1.00 0.00 C ATOM 492 O TYR A 35 61.859 24.025 7.260 1.00 0.00 O ATOM 493 CB TYR A 35 58.944 22.159 7.206 1.00 0.00 C ATOM 494 CG TYR A 35 58.639 20.739 7.246 1.00 0.00 C ATOM 495 CD1 TYR A 35 57.801 20.225 6.298 1.00 0.00 C ATOM 496 CD2 TYR A 35 59.146 19.970 8.260 1.00 0.00 C ATOM 497 CE1 TYR A 35 57.461 18.910 6.342 1.00 0.00 C ATOM 498 CE2 TYR A 35 58.817 18.656 8.337 1.00 0.00 C ATOM 499 CZ TYR A 35 57.961 18.091 7.370 1.00 0.00 C ATOM 500 OH TYR A 35 57.607 16.757 7.434 1.00 0.00 O ATOM 0 H TYR A 35 60.159 20.566 5.584 1.00 0.00 H new ATOM 0 HA TYR A 35 59.906 23.424 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.100 22.508 8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 35 58.074 22.689 6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 35 57.410 20.861 5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 35 59.805 20.408 8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 35 56.808 18.495 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.210 18.045 9.136 1.00 0.00 H new ATOM 0 HH TYR A 35 58.043 16.339 8.206 1.00 0.00 H new ATOM 510 N HIS A 36 61.781 21.967 8.036 1.00 0.00 N ATOM 511 CA HIS A 36 62.938 22.148 8.982 1.00 0.00 C ATOM 512 C HIS A 36 64.271 21.613 8.383 1.00 0.00 C ATOM 513 O HIS A 36 65.269 21.534 9.074 1.00 0.00 O ATOM 514 CB HIS A 36 62.613 21.505 10.356 1.00 0.00 C ATOM 515 CG HIS A 36 62.233 20.054 10.249 1.00 0.00 C ATOM 516 ND1 HIS A 36 61.746 19.336 11.325 1.00 0.00 N ATOM 517 CD2 HIS A 36 62.239 19.196 9.200 1.00 0.00 C ATOM 518 CE1 HIS A 36 61.480 18.092 10.889 1.00 0.00 C ATOM 519 NE2 HIS A 36 61.764 17.957 9.596 1.00 0.00 N ATOM 0 H HIS A 36 61.371 21.033 8.056 1.00 0.00 H new ATOM 0 HA HIS A 36 63.086 23.217 9.137 1.00 0.00 H new ATOM 0 HB2 HIS A 36 63.480 21.601 11.010 1.00 0.00 H new ATOM 0 HB3 HIS A 36 61.797 22.055 10.825 1.00 0.00 H new ATOM 0 HD1 HIS A 36 61.613 19.685 12.274 1.00 0.00 H new ATOM 0 HD2 HIS A 36 62.567 19.443 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 36 61.085 17.302 11.510 1.00 0.00 H new ATOM 527 N CYS A 37 64.278 21.251 7.099 1.00 0.00 N ATOM 528 CA CYS A 37 65.519 20.727 6.381 1.00 0.00 C ATOM 529 C CYS A 37 65.853 19.267 6.737 1.00 0.00 C ATOM 530 O CYS A 37 66.572 18.612 6.010 1.00 0.00 O ATOM 531 CB CYS A 37 66.744 21.627 6.612 1.00 0.00 C ATOM 532 SG CYS A 37 67.849 21.491 5.177 1.00 0.00 S ATOM 0 H CYS A 37 63.452 21.299 6.503 1.00 0.00 H new ATOM 0 HA CYS A 37 65.269 20.752 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.431 22.662 6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.267 21.327 7.520 1.00 0.00 H new ATOM 0 HG CYS A 37 67.756 20.298 4.669 1.00 0.00 H new ATOM 538 N GLN A 38 65.282 18.726 7.780 1.00 0.00 N ATOM 539 CA GLN A 38 65.495 17.287 8.116 1.00 0.00 C ATOM 540 C GLN A 38 64.763 16.483 7.030 1.00 0.00 C ATOM 541 O GLN A 38 65.278 15.513 6.530 1.00 0.00 O ATOM 542 CB GLN A 38 64.957 17.035 9.553 1.00 0.00 C ATOM 543 CG GLN A 38 63.949 15.860 9.627 1.00 0.00 C ATOM 544 CD GLN A 38 64.587 14.661 10.316 1.00 0.00 C ATOM 545 OE1 GLN A 38 64.986 13.723 9.671 1.00 0.00 O ATOM 546 NE2 GLN A 38 64.701 14.648 11.606 1.00 0.00 N ATOM 0 H GLN A 38 64.668 19.227 8.423 1.00 0.00 H new ATOM 0 HA GLN A 38 66.542 16.985 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 38 65.796 16.829 10.218 1.00 0.00 H new ATOM 0 HB3 GLN A 38 64.476 17.942 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 38 63.058 16.170 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 38 63.628 15.583 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 38 64.365 15.439 12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 38 65.127 13.847 12.072 1.00 0.00 H new ATOM 555 N LEU A 39 63.588 16.934 6.618 1.00 0.00 N ATOM 556 CA LEU A 39 62.867 16.245 5.509 1.00 0.00 C ATOM 557 C LEU A 39 63.655 16.452 4.192 1.00 0.00 C ATOM 558 O LEU A 39 63.573 15.637 3.299 1.00 0.00 O ATOM 559 CB LEU A 39 61.418 16.768 5.422 1.00 0.00 C ATOM 560 CG LEU A 39 60.457 15.811 6.167 1.00 0.00 C ATOM 561 CD1 LEU A 39 60.619 14.376 5.659 1.00 0.00 C ATOM 562 CD2 LEU A 39 60.748 15.832 7.672 1.00 0.00 C ATOM 0 H LEU A 39 63.109 17.746 7.007 1.00 0.00 H new ATOM 0 HA LEU A 39 62.806 15.173 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 61.358 17.766 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 39 61.118 16.856 4.378 1.00 0.00 H new ATOM 0 HG LEU A 39 59.438 16.150 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 39 59.934 13.720 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 60.395 14.340 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 61.644 14.045 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 39 60.065 15.154 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 39 61.775 15.513 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 39 60.611 16.843 8.055 1.00 0.00 H new ATOM 574 N CYS A 40 64.496 17.485 4.120 1.00 0.00 N ATOM 575 CA CYS A 40 65.391 17.678 2.936 1.00 0.00 C ATOM 576 C CYS A 40 66.558 16.677 3.086 1.00 0.00 C ATOM 577 O CYS A 40 67.021 16.121 2.104 1.00 0.00 O ATOM 578 CB CYS A 40 65.852 19.165 2.868 1.00 0.00 C ATOM 579 SG CYS A 40 67.593 19.390 3.355 1.00 0.00 S ATOM 0 H CYS A 40 64.589 18.198 4.843 1.00 0.00 H new ATOM 0 HA CYS A 40 64.884 17.480 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 40 65.713 19.537 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 40 65.217 19.767 3.518 1.00 0.00 H new ATOM 0 HG CYS A 40 67.752 20.577 3.860 1.00 0.00 H new ATOM 585 N PHE A 41 66.960 16.365 4.324 1.00 0.00 N ATOM 586 CA PHE A 41 67.990 15.324 4.562 1.00 0.00 C ATOM 587 C PHE A 41 67.346 14.016 4.169 1.00 0.00 C ATOM 588 O PHE A 41 67.903 13.303 3.368 1.00 0.00 O ATOM 589 CB PHE A 41 68.403 15.391 6.064 1.00 0.00 C ATOM 590 CG PHE A 41 68.525 14.075 6.770 1.00 0.00 C ATOM 591 CD1 PHE A 41 69.733 13.414 6.757 1.00 0.00 C ATOM 592 CD2 PHE A 41 67.480 13.602 7.565 1.00 0.00 C ATOM 593 CE1 PHE A 41 69.923 12.297 7.537 1.00 0.00 C ATOM 594 CE2 PHE A 41 67.651 12.463 8.317 1.00 0.00 C ATOM 595 CZ PHE A 41 68.880 11.806 8.327 1.00 0.00 C ATOM 0 H PHE A 41 66.600 16.806 5.170 1.00 0.00 H new ATOM 0 HA PHE A 41 68.904 15.454 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 41 69.359 15.909 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 41 67.671 15.999 6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 41 70.536 13.775 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 41 66.538 14.130 7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 41 70.881 11.798 7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 41 66.830 12.076 8.902 1.00 0.00 H new ATOM 0 HZ PHE A 41 69.025 10.927 8.938 1.00 0.00 H new ATOM 605 N LEU A 42 66.144 13.741 4.655 1.00 0.00 N ATOM 606 CA LEU A 42 65.433 12.502 4.241 1.00 0.00 C ATOM 607 C LEU A 42 65.227 12.541 2.715 1.00 0.00 C ATOM 608 O LEU A 42 65.236 11.511 2.087 1.00 0.00 O ATOM 609 CB LEU A 42 64.077 12.423 4.971 1.00 0.00 C ATOM 610 CG LEU A 42 64.092 11.355 6.066 1.00 0.00 C ATOM 611 CD1 LEU A 42 65.120 11.729 7.117 1.00 0.00 C ATOM 612 CD2 LEU A 42 62.714 11.277 6.722 1.00 0.00 C ATOM 0 H LEU A 42 65.638 14.328 5.318 1.00 0.00 H new ATOM 0 HA LEU A 42 66.018 11.620 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.842 13.393 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.288 12.198 4.253 1.00 0.00 H new ATOM 0 HG LEU A 42 64.345 10.390 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.133 10.970 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.106 11.792 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 42 64.861 12.694 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 42 62.725 10.516 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 42 62.465 12.243 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.968 11.016 5.971 1.00 0.00 H new ATOM 624 N ARG A 43 65.099 13.725 2.106 1.00 0.00 N ATOM 625 CA ARG A 43 64.968 13.795 0.622 1.00 0.00 C ATOM 626 C ARG A 43 66.283 13.296 -0.030 1.00 0.00 C ATOM 627 O ARG A 43 66.242 12.763 -1.129 1.00 0.00 O ATOM 628 CB ARG A 43 64.679 15.241 0.188 1.00 0.00 C ATOM 629 CG ARG A 43 63.979 15.246 -1.179 1.00 0.00 C ATOM 630 CD ARG A 43 63.502 16.666 -1.511 1.00 0.00 C ATOM 631 NE ARG A 43 61.996 16.706 -1.609 1.00 0.00 N ATOM 632 CZ ARG A 43 61.232 16.337 -0.609 1.00 0.00 C ATOM 633 NH1 ARG A 43 61.469 16.764 0.589 1.00 0.00 N ATOM 634 NH2 ARG A 43 60.228 15.541 -0.826 1.00 0.00 N ATOM 0 H ARG A 43 65.082 14.625 2.585 1.00 0.00 H new ATOM 0 HA ARG A 43 64.141 13.163 0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 43 64.051 15.734 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 43 65.609 15.806 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 43 64.664 14.892 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.131 14.561 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 43 63.841 17.360 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 63.943 16.994 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 43 61.562 17.028 -2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 43 62.254 17.392 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 43 60.871 16.473 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 43 60.037 15.206 -1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 43 59.631 15.251 -0.052 1.00 0.00 H new ATOM 648 N SER A 44 67.453 13.456 0.620 1.00 0.00 N ATOM 649 CA SER A 44 68.718 12.965 -0.029 1.00 0.00 C ATOM 650 C SER A 44 69.770 12.450 1.002 1.00 0.00 C ATOM 651 O SER A 44 70.922 12.837 0.929 1.00 0.00 O ATOM 652 CB SER A 44 69.298 14.114 -0.881 1.00 0.00 C ATOM 653 OG SER A 44 68.912 13.927 -2.242 1.00 0.00 O ATOM 0 H SER A 44 67.565 13.891 1.536 1.00 0.00 H new ATOM 0 HA SER A 44 68.476 12.106 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 44 68.934 15.074 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 44 70.385 14.133 -0.797 1.00 0.00 H new ATOM 0 HG SER A 44 68.010 13.545 -2.277 1.00 0.00 H new ATOM 659 N LEU A 45 69.399 11.558 1.944 1.00 0.00 N ATOM 660 CA LEU A 45 70.406 10.961 2.936 1.00 0.00 C ATOM 661 C LEU A 45 71.435 10.098 2.137 1.00 0.00 C ATOM 662 O LEU A 45 71.383 8.870 2.157 1.00 0.00 O ATOM 663 CB LEU A 45 69.619 10.016 3.848 1.00 0.00 C ATOM 664 CG LEU A 45 69.344 10.604 5.191 1.00 0.00 C ATOM 665 CD1 LEU A 45 67.972 11.200 5.150 1.00 0.00 C ATOM 666 CD2 LEU A 45 69.344 9.507 6.240 1.00 0.00 C ATOM 0 H LEU A 45 68.443 11.223 2.063 1.00 0.00 H new ATOM 0 HA LEU A 45 70.918 11.742 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.674 9.759 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.177 9.088 3.970 1.00 0.00 H new ATOM 0 HG LEU A 45 70.102 11.348 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 67.737 11.640 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.934 11.972 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.244 10.422 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 69.143 9.940 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.572 8.775 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 45 70.317 9.016 6.253 1.00 0.00 H new ATOM 678 N GLY A 46 72.280 10.725 1.326 1.00 0.00 N ATOM 679 CA GLY A 46 73.197 9.951 0.404 1.00 0.00 C ATOM 680 C GLY A 46 72.327 9.094 -0.580 1.00 0.00 C ATOM 681 O GLY A 46 72.832 8.208 -1.234 1.00 0.00 O ATOM 0 H GLY A 46 72.372 11.739 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 46 73.834 10.636 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 46 73.856 9.305 0.984 1.00 0.00 H new ATOM 685 N ILE A 47 71.005 9.362 -0.641 1.00 0.00 N ATOM 686 CA ILE A 47 69.977 8.640 -1.484 1.00 0.00 C ATOM 687 C ILE A 47 69.875 7.101 -1.249 1.00 0.00 C ATOM 688 O ILE A 47 68.821 6.545 -1.515 1.00 0.00 O ATOM 689 CB ILE A 47 69.977 9.049 -2.977 1.00 0.00 C ATOM 690 CG1 ILE A 47 71.148 9.997 -3.354 1.00 0.00 C ATOM 691 CG2 ILE A 47 68.640 9.776 -3.229 1.00 0.00 C ATOM 692 CD1 ILE A 47 70.950 11.391 -2.736 1.00 0.00 C ATOM 0 H ILE A 47 70.589 10.113 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 47 69.033 9.016 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 47 70.100 8.155 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 47 72.090 9.572 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 71.217 10.083 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 47 68.586 10.088 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 67.812 9.102 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 47 68.575 10.652 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 71.784 12.035 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 47 70.019 11.823 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.906 11.305 -1.650 1.00 0.00 H new ATOM 704 N ASP A 48 70.856 6.429 -0.647 1.00 0.00 N ATOM 705 CA ASP A 48 70.685 4.973 -0.286 1.00 0.00 C ATOM 706 C ASP A 48 69.644 4.914 0.852 1.00 0.00 C ATOM 707 O ASP A 48 68.908 3.950 0.959 1.00 0.00 O ATOM 708 CB ASP A 48 72.030 4.382 0.176 1.00 0.00 C ATOM 709 CG ASP A 48 72.073 2.886 -0.130 1.00 0.00 C ATOM 710 OD1 ASP A 48 72.501 2.533 -1.215 1.00 0.00 O ATOM 711 OD2 ASP A 48 71.675 2.109 0.718 1.00 0.00 O ATOM 0 H ASP A 48 71.759 6.830 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 48 70.350 4.390 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 48 72.852 4.889 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.162 4.547 1.245 1.00 0.00 H new ATOM 716 N TYR A 49 69.498 5.987 1.654 1.00 0.00 N ATOM 717 CA TYR A 49 68.427 5.984 2.669 1.00 0.00 C ATOM 718 C TYR A 49 67.061 6.159 1.912 1.00 0.00 C ATOM 719 O TYR A 49 66.023 5.887 2.444 1.00 0.00 O ATOM 720 CB TYR A 49 68.616 7.093 3.735 1.00 0.00 C ATOM 721 CG TYR A 49 67.292 7.392 4.324 1.00 0.00 C ATOM 722 CD1 TYR A 49 66.687 6.454 5.120 1.00 0.00 C ATOM 723 CD2 TYR A 49 66.619 8.516 3.928 1.00 0.00 C ATOM 724 CE1 TYR A 49 65.405 6.648 5.540 1.00 0.00 C ATOM 725 CE2 TYR A 49 65.342 8.727 4.312 1.00 0.00 C ATOM 726 CZ TYR A 49 64.700 7.793 5.137 1.00 0.00 C ATOM 727 OH TYR A 49 63.392 7.984 5.526 1.00 0.00 O ATOM 0 H TYR A 49 70.076 6.827 1.625 1.00 0.00 H new ATOM 0 HA TYR A 49 68.451 5.042 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 49 69.311 6.764 4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 49 69.042 7.988 3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 49 67.224 5.564 5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 49 67.115 9.242 3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 49 64.932 5.921 6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 49 64.817 9.612 3.985 1.00 0.00 H new ATOM 0 HH TYR A 49 62.795 7.789 4.773 1.00 0.00 H new ATOM 737 N LEU A 50 67.024 6.587 0.674 1.00 0.00 N ATOM 738 CA LEU A 50 65.683 6.684 -0.009 1.00 0.00 C ATOM 739 C LEU A 50 65.370 5.331 -0.621 1.00 0.00 C ATOM 740 O LEU A 50 64.228 4.901 -0.634 1.00 0.00 O ATOM 741 CB LEU A 50 65.588 7.940 -0.859 1.00 0.00 C ATOM 742 CG LEU A 50 65.451 9.107 0.170 1.00 0.00 C ATOM 743 CD1 LEU A 50 64.279 8.832 1.147 1.00 0.00 C ATOM 744 CD2 LEU A 50 66.695 9.134 1.049 1.00 0.00 C ATOM 0 H LEU A 50 67.831 6.866 0.117 1.00 0.00 H new ATOM 0 HA LEU A 50 64.851 6.857 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 50 66.473 8.064 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 50 64.729 7.900 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 50 65.300 10.031 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.197 9.655 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 50 63.349 8.744 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 50 64.465 7.904 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 50 66.612 9.945 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 66.788 8.185 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 67.576 9.291 0.427 1.00 0.00 H new ATOM 756 N ASP A 51 66.427 4.574 -0.839 1.00 0.00 N ATOM 757 CA ASP A 51 66.319 3.148 -1.119 1.00 0.00 C ATOM 758 C ASP A 51 65.738 2.576 0.250 1.00 0.00 C ATOM 759 O ASP A 51 64.874 1.727 0.258 1.00 0.00 O ATOM 760 CB ASP A 51 67.760 2.730 -1.451 1.00 0.00 C ATOM 761 CG ASP A 51 67.795 1.937 -2.754 1.00 0.00 C ATOM 762 OD1 ASP A 51 67.168 0.904 -2.810 1.00 0.00 O ATOM 763 OD2 ASP A 51 68.460 2.374 -3.674 1.00 0.00 O ATOM 0 H ASP A 51 67.385 4.925 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 51 65.685 2.807 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 51 68.391 3.614 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 68.167 2.127 -0.639 1.00 0.00 H new ATOM 768 N ALA A 52 66.139 3.199 1.404 1.00 0.00 N ATOM 769 CA ALA A 52 65.558 2.906 2.786 1.00 0.00 C ATOM 770 C ALA A 52 64.087 3.326 2.764 1.00 0.00 C ATOM 771 O ALA A 52 63.239 2.537 3.148 1.00 0.00 O ATOM 772 CB ALA A 52 66.239 3.768 3.903 1.00 0.00 C ATOM 0 H ALA A 52 66.866 3.914 1.418 1.00 0.00 H new ATOM 0 HA ALA A 52 65.710 1.848 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 52 65.796 3.528 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 52 67.307 3.551 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 52 66.089 4.826 3.688 1.00 0.00 H new ATOM 778 N SER A 53 63.758 4.563 2.327 1.00 0.00 N ATOM 779 CA SER A 53 62.299 4.971 2.285 1.00 0.00 C ATOM 780 C SER A 53 61.464 3.882 1.555 1.00 0.00 C ATOM 781 O SER A 53 60.347 3.600 1.951 1.00 0.00 O ATOM 782 CB SER A 53 62.134 6.311 1.570 1.00 0.00 C ATOM 783 OG SER A 53 62.027 7.338 2.552 1.00 0.00 O ATOM 0 H SER A 53 64.422 5.271 2.013 1.00 0.00 H new ATOM 0 HA SER A 53 61.942 5.075 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 53 62.986 6.499 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 53 61.245 6.297 0.939 1.00 0.00 H new ATOM 0 HG SER A 53 61.764 8.177 2.120 1.00 0.00 H new ATOM 789 N LEU A 54 62.024 3.243 0.530 1.00 0.00 N ATOM 790 CA LEU A 54 61.296 2.141 -0.202 1.00 0.00 C ATOM 791 C LEU A 54 61.859 0.721 0.159 1.00 0.00 C ATOM 792 O LEU A 54 61.606 -0.239 -0.557 1.00 0.00 O ATOM 793 CB LEU A 54 61.373 2.391 -1.733 1.00 0.00 C ATOM 794 CG LEU A 54 62.833 2.458 -2.231 1.00 0.00 C ATOM 795 CD1 LEU A 54 63.207 1.159 -2.940 1.00 0.00 C ATOM 796 CD2 LEU A 54 62.981 3.617 -3.217 1.00 0.00 C ATOM 0 H LEU A 54 62.958 3.443 0.173 1.00 0.00 H new ATOM 0 HA LEU A 54 60.253 2.157 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 54 60.846 1.594 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 60.863 3.324 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 54 63.490 2.606 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 54 64.239 1.218 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 54 63.104 0.324 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 54 62.546 1.007 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 54 64.011 3.666 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 54 62.314 3.461 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 54 62.723 4.552 -2.720 1.00 0.00 H new ATOM 808 N ARG A 55 62.610 0.570 1.262 1.00 0.00 N ATOM 809 CA ARG A 55 63.181 -0.782 1.661 1.00 0.00 C ATOM 810 C ARG A 55 62.090 -1.890 1.851 1.00 0.00 C ATOM 811 O ARG A 55 62.434 -3.058 1.907 1.00 0.00 O ATOM 812 CB ARG A 55 64.065 -0.620 2.933 1.00 0.00 C ATOM 813 CG ARG A 55 63.297 -0.904 4.244 1.00 0.00 C ATOM 814 CD ARG A 55 62.028 -0.049 4.315 1.00 0.00 C ATOM 815 NE ARG A 55 62.083 0.874 5.495 1.00 0.00 N ATOM 816 CZ ARG A 55 61.122 1.722 5.701 1.00 0.00 C ATOM 817 NH1 ARG A 55 60.967 2.727 4.895 1.00 0.00 N ATOM 818 NH2 ARG A 55 60.325 1.557 6.710 1.00 0.00 N ATOM 0 H ARG A 55 62.847 1.332 1.898 1.00 0.00 H new ATOM 0 HA ARG A 55 63.798 -1.132 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 55 64.917 -1.296 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 55 64.464 0.394 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 55 63.035 -1.961 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 55 63.936 -0.690 5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 55 61.920 0.530 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 55 61.152 -0.693 4.390 1.00 0.00 H new ATOM 0 HE ARG A 55 62.876 0.836 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 55 61.599 2.848 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 55 60.213 3.396 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 55 60.455 0.764 7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 55 59.568 2.221 6.876 1.00 0.00 H new ATOM 832 N LYS A 56 60.792 -1.557 1.908 1.00 0.00 N ATOM 833 CA LYS A 56 59.715 -2.622 2.030 1.00 0.00 C ATOM 834 C LYS A 56 59.521 -3.228 0.610 1.00 0.00 C ATOM 835 O LYS A 56 58.512 -3.026 -0.050 1.00 0.00 O ATOM 836 CB LYS A 56 58.411 -1.988 2.555 1.00 0.00 C ATOM 837 CG LYS A 56 57.481 -3.082 3.103 1.00 0.00 C ATOM 838 CD LYS A 56 56.016 -2.741 2.772 1.00 0.00 C ATOM 839 CE LYS A 56 55.509 -3.625 1.621 1.00 0.00 C ATOM 840 NZ LYS A 56 55.781 -2.956 0.309 1.00 0.00 N ATOM 0 H LYS A 56 60.443 -0.599 1.875 1.00 0.00 H new ATOM 0 HA LYS A 56 59.998 -3.403 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 56 58.638 -1.265 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 56 57.913 -1.443 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 56 57.746 -4.047 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 56 57.607 -3.172 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 56 55.393 -2.888 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 56 55.934 -1.690 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 56 56.001 -4.597 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 56 54.440 -3.805 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 55.211 -3.407 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 55.531 -1.949 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 56.790 -3.048 0.075 1.00 0.00 H new ATOM 854 N LYS A 57 60.555 -3.915 0.161 1.00 0.00 N ATOM 855 CA LYS A 57 60.678 -4.544 -1.215 1.00 0.00 C ATOM 856 C LYS A 57 62.206 -4.624 -1.488 1.00 0.00 C ATOM 857 O LYS A 57 62.725 -5.632 -1.943 1.00 0.00 O ATOM 858 CB LYS A 57 59.983 -3.667 -2.300 1.00 0.00 C ATOM 859 CG LYS A 57 60.510 -3.975 -3.717 1.00 0.00 C ATOM 860 CD LYS A 57 60.188 -5.427 -4.110 1.00 0.00 C ATOM 861 CE LYS A 57 61.078 -5.851 -5.284 1.00 0.00 C ATOM 862 NZ LYS A 57 61.834 -7.089 -4.927 1.00 0.00 N ATOM 0 H LYS A 57 61.381 -4.077 0.737 1.00 0.00 H new ATOM 0 HA LYS A 57 60.196 -5.521 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 58.907 -3.837 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.146 -2.613 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 57 60.060 -3.290 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 57 61.587 -3.813 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 57 60.350 -6.089 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 59.137 -5.515 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 57 60.467 -6.030 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 57 61.773 -5.049 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 62.174 -7.550 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 62.645 -6.839 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 61.209 -7.741 -4.411 1.00 0.00 H new ATOM 876 N ASN A 58 62.911 -3.551 -1.140 1.00 0.00 N ATOM 877 CA ASN A 58 64.391 -3.458 -1.268 1.00 0.00 C ATOM 878 C ASN A 58 65.056 -3.831 0.084 1.00 0.00 C ATOM 879 O ASN A 58 66.123 -3.350 0.411 1.00 0.00 O ATOM 880 CB ASN A 58 64.712 -2.009 -1.692 1.00 0.00 C ATOM 881 CG ASN A 58 64.730 -1.916 -3.224 1.00 0.00 C ATOM 882 OD1 ASN A 58 64.116 -2.710 -3.914 1.00 0.00 O ATOM 883 ND2 ASN A 58 65.398 -0.980 -3.798 1.00 0.00 N ATOM 0 H ASN A 58 62.483 -2.708 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 58 64.782 -4.152 -2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 58 63.967 -1.326 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 58 65.678 -1.706 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 65.408 -0.911 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 58 65.918 -0.306 -3.236 1.00 0.00 H new ATOM 890 N LYS A 59 64.463 -4.754 0.838 1.00 0.00 N ATOM 891 CA LYS A 59 65.101 -5.231 2.112 1.00 0.00 C ATOM 892 C LYS A 59 66.274 -6.136 1.685 1.00 0.00 C ATOM 893 O LYS A 59 67.379 -6.015 2.187 1.00 0.00 O ATOM 894 CB LYS A 59 64.086 -6.017 2.963 1.00 0.00 C ATOM 895 CG LYS A 59 64.419 -5.854 4.454 1.00 0.00 C ATOM 896 CD LYS A 59 65.425 -6.936 4.893 1.00 0.00 C ATOM 897 CE LYS A 59 66.704 -6.285 5.443 1.00 0.00 C ATOM 898 NZ LYS A 59 67.900 -6.879 4.769 1.00 0.00 N ATOM 0 H LYS A 59 63.568 -5.190 0.618 1.00 0.00 H new ATOM 0 HA LYS A 59 65.446 -4.397 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 63.076 -5.657 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 59 64.108 -7.072 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 64.836 -4.863 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 63.509 -5.930 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 59 64.976 -7.572 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 65.671 -7.578 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 59 66.677 -5.208 5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 59 66.768 -6.438 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 68.766 -6.474 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 67.901 -7.910 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 67.866 -6.667 3.751 1.00 0.00 H new ATOM 912 N GLN A 60 66.037 -6.984 0.691 1.00 0.00 N ATOM 913 CA GLN A 60 67.116 -7.850 0.117 1.00 0.00 C ATOM 914 C GLN A 60 67.535 -7.244 -1.264 1.00 0.00 C ATOM 915 O GLN A 60 67.946 -7.955 -2.167 1.00 0.00 O ATOM 916 CB GLN A 60 66.582 -9.285 -0.065 1.00 0.00 C ATOM 917 CG GLN A 60 66.136 -9.869 1.290 1.00 0.00 C ATOM 918 CD GLN A 60 65.481 -11.239 1.078 1.00 0.00 C ATOM 919 OE1 GLN A 60 65.975 -12.236 1.552 1.00 0.00 O ATOM 920 NE2 GLN A 60 64.379 -11.334 0.393 1.00 0.00 N ATOM 0 H GLN A 60 65.123 -7.106 0.254 1.00 0.00 H new ATOM 0 HA GLN A 60 67.978 -7.887 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 60 65.743 -9.282 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 60 67.356 -9.915 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 60 66.995 -9.966 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 60 65.433 -9.191 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 60 63.956 -10.498 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 60 63.938 -12.244 0.259 1.00 0.00 H new ATOM 929 N ARG A 61 67.407 -5.919 -1.429 1.00 0.00 N ATOM 930 CA ARG A 61 67.753 -5.210 -2.718 1.00 0.00 C ATOM 931 C ARG A 61 69.250 -5.319 -3.155 1.00 0.00 C ATOM 932 O ARG A 61 69.614 -4.710 -4.146 1.00 0.00 O ATOM 933 CB ARG A 61 67.371 -3.731 -2.546 1.00 0.00 C ATOM 934 CG ARG A 61 68.363 -2.987 -1.630 1.00 0.00 C ATOM 935 CD ARG A 61 68.596 -1.577 -2.155 1.00 0.00 C ATOM 936 NE ARG A 61 70.047 -1.388 -2.426 1.00 0.00 N ATOM 937 CZ ARG A 61 70.678 -0.361 -1.933 1.00 0.00 C ATOM 938 NH1 ARG A 61 70.633 0.778 -2.539 1.00 0.00 N ATOM 939 NH2 ARG A 61 71.331 -0.481 -0.822 1.00 0.00 N ATOM 0 H ARG A 61 67.067 -5.296 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 61 67.195 -5.702 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 61 67.344 -3.247 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 61 66.367 -3.661 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 67.972 -2.946 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 69.308 -3.529 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 61 68.020 -1.416 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 68.252 -0.843 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 61 70.549 -2.065 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 70.103 0.874 -3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 61 71.128 1.582 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 61 71.350 -1.378 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 61 71.827 0.321 -0.433 1.00 0.00 H new ATOM 953 N LEU A 62 70.109 -6.066 -2.457 1.00 0.00 N ATOM 954 CA LEU A 62 71.564 -6.194 -2.871 1.00 0.00 C ATOM 955 C LEU A 62 71.669 -6.514 -4.382 1.00 0.00 C ATOM 956 O LEU A 62 72.439 -5.893 -5.089 1.00 0.00 O ATOM 957 CB LEU A 62 72.232 -7.317 -2.054 1.00 0.00 C ATOM 958 CG LEU A 62 73.754 -7.100 -2.001 1.00 0.00 C ATOM 959 CD1 LEU A 62 74.295 -7.593 -0.660 1.00 0.00 C ATOM 960 CD2 LEU A 62 74.430 -7.882 -3.131 1.00 0.00 C ATOM 0 H LEU A 62 69.860 -6.591 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 62 72.072 -5.249 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 71.824 -7.334 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 62 72.010 -8.285 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 62 73.966 -6.037 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 62 75.373 -7.439 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.822 -7.038 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 62 74.077 -8.655 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.508 -7.724 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.214 -8.944 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 62 74.050 -7.534 -4.092 1.00 0.00 H new ATOM 972 N LYS A 63 70.874 -7.451 -4.872 1.00 0.00 N ATOM 973 CA LYS A 63 70.889 -7.796 -6.336 1.00 0.00 C ATOM 974 C LYS A 63 69.777 -7.025 -7.096 1.00 0.00 C ATOM 975 O LYS A 63 69.916 -6.775 -8.282 1.00 0.00 O ATOM 976 CB LYS A 63 70.684 -9.310 -6.509 1.00 0.00 C ATOM 977 CG LYS A 63 71.790 -9.884 -7.406 1.00 0.00 C ATOM 978 CD LYS A 63 71.430 -9.677 -8.890 1.00 0.00 C ATOM 979 CE LYS A 63 72.550 -8.898 -9.604 1.00 0.00 C ATOM 980 NZ LYS A 63 72.225 -7.434 -9.650 1.00 0.00 N ATOM 0 H LYS A 63 70.213 -7.992 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 63 71.854 -7.506 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 63 70.699 -9.802 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 63 69.707 -9.506 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.739 -9.397 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 63 71.921 -10.946 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 63 71.282 -10.642 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.489 -9.133 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.496 -9.050 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.678 -9.280 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.290 -7.095 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.260 -7.281 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 72.899 -6.910 -9.057 1.00 0.00 H new ATOM 994 N ALA A 64 68.685 -6.648 -6.434 1.00 0.00 N ATOM 995 CA ALA A 64 67.571 -5.891 -7.123 1.00 0.00 C ATOM 996 C ALA A 64 68.004 -4.457 -7.464 1.00 0.00 C ATOM 997 O ALA A 64 67.586 -3.934 -8.482 1.00 0.00 O ATOM 998 CB ALA A 64 66.330 -5.863 -6.221 1.00 0.00 C ATOM 0 H ALA A 64 68.522 -6.835 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 64 67.333 -6.403 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.530 -5.317 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 64 66.003 -6.883 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 64 66.575 -5.369 -5.281 1.00 0.00 H new ATOM 1004 N ILE A 65 68.857 -3.837 -6.660 1.00 0.00 N ATOM 1005 CA ILE A 65 69.351 -2.449 -6.980 1.00 0.00 C ATOM 1006 C ILE A 65 70.042 -2.481 -8.381 1.00 0.00 C ATOM 1007 O ILE A 65 69.901 -1.557 -9.161 1.00 0.00 O ATOM 1008 CB ILE A 65 70.282 -1.964 -5.833 1.00 0.00 C ATOM 1009 CG1 ILE A 65 70.375 -0.418 -5.796 1.00 0.00 C ATOM 1010 CG2 ILE A 65 71.674 -2.577 -5.941 1.00 0.00 C ATOM 1011 CD1 ILE A 65 71.047 0.155 -7.054 1.00 0.00 C ATOM 0 H ILE A 65 69.229 -4.236 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 65 68.535 -1.729 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 65 69.836 -2.302 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 69.374 0.002 -5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 65 70.937 -0.111 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.296 -2.214 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.599 -3.663 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 65 72.124 -2.292 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 65 71.089 1.242 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 65 72.058 -0.242 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 65 70.471 -0.128 -7.935 1.00 0.00 H new ATOM 1023 N GLN A 66 70.719 -3.581 -8.724 1.00 0.00 N ATOM 1024 CA GLN A 66 71.344 -3.713 -10.093 1.00 0.00 C ATOM 1025 C GLN A 66 70.656 -4.880 -10.866 1.00 0.00 C ATOM 1026 O GLN A 66 71.300 -5.568 -11.653 1.00 0.00 O ATOM 1027 CB GLN A 66 72.871 -3.984 -10.018 1.00 0.00 C ATOM 1028 CG GLN A 66 73.503 -3.403 -8.740 1.00 0.00 C ATOM 1029 CD GLN A 66 73.676 -4.493 -7.670 1.00 0.00 C ATOM 1030 OE1 GLN A 66 73.289 -5.636 -7.851 1.00 0.00 O ATOM 1031 NE2 GLN A 66 74.245 -4.189 -6.552 1.00 0.00 N ATOM 0 H GLN A 66 70.860 -4.384 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 66 71.198 -2.766 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 66 73.050 -5.059 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 66 73.358 -3.551 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 66 74.472 -2.963 -8.976 1.00 0.00 H new ATOM 0 HG3 GLN A 66 72.875 -2.602 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 66 74.573 -3.237 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 66 74.367 -4.901 -5.832 1.00 0.00 H new ATOM 1040 N GLN A 67 69.364 -5.139 -10.640 1.00 0.00 N ATOM 1041 CA GLN A 67 68.670 -6.270 -11.361 1.00 0.00 C ATOM 1042 C GLN A 67 68.485 -5.946 -12.869 1.00 0.00 C ATOM 1043 O GLN A 67 68.928 -4.925 -13.365 1.00 0.00 O ATOM 1044 CB GLN A 67 67.293 -6.533 -10.714 1.00 0.00 C ATOM 1045 CG GLN A 67 67.257 -7.945 -10.101 1.00 0.00 C ATOM 1046 CD GLN A 67 67.170 -9.030 -11.183 1.00 0.00 C ATOM 1047 OE1 GLN A 67 66.434 -8.899 -12.135 1.00 0.00 O ATOM 1048 NE2 GLN A 67 67.894 -10.102 -11.081 1.00 0.00 N ATOM 0 H GLN A 67 68.774 -4.616 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 67 69.294 -7.160 -11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 67 67.097 -5.788 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 67 66.506 -6.433 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 67 68.151 -8.103 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 67 66.401 -8.029 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 67 68.518 -10.222 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 67 67.840 -10.824 -11.799 1.00 0.00 H new ATOM 1057 N GLY A 68 67.832 -6.837 -13.587 1.00 0.00 N ATOM 1058 CA GLY A 68 67.595 -6.644 -15.070 1.00 0.00 C ATOM 1059 C GLY A 68 66.191 -7.134 -15.471 1.00 0.00 C ATOM 1060 O GLY A 68 65.471 -6.436 -16.158 1.00 0.00 O ATOM 0 H GLY A 68 67.447 -7.702 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 68 67.703 -5.590 -15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.350 -7.189 -15.637 1.00 0.00 H new ATOM 1064 N ARG A 69 65.793 -8.311 -15.015 1.00 0.00 N ATOM 1065 CA ARG A 69 64.436 -8.861 -15.316 1.00 0.00 C ATOM 1066 C ARG A 69 64.014 -9.687 -14.092 1.00 0.00 C ATOM 1067 O ARG A 69 64.108 -10.901 -14.049 1.00 0.00 O ATOM 1068 CB ARG A 69 64.437 -9.716 -16.602 1.00 0.00 C ATOM 1069 CG ARG A 69 64.308 -8.828 -17.869 1.00 0.00 C ATOM 1070 CD ARG A 69 63.125 -7.832 -17.773 1.00 0.00 C ATOM 1071 NE ARG A 69 61.838 -8.563 -17.514 1.00 0.00 N ATOM 1072 CZ ARG A 69 61.108 -8.266 -16.478 1.00 0.00 C ATOM 1073 NH1 ARG A 69 60.390 -7.190 -16.475 1.00 0.00 N ATOM 1074 NH2 ARG A 69 61.101 -9.051 -15.454 1.00 0.00 N ATOM 0 H ARG A 69 66.372 -8.919 -14.435 1.00 0.00 H new ATOM 0 HA ARG A 69 63.728 -8.053 -15.501 1.00 0.00 H new ATOM 0 HB2 ARG A 69 65.358 -10.297 -16.654 1.00 0.00 H new ATOM 0 HB3 ARG A 69 63.612 -10.428 -16.569 1.00 0.00 H new ATOM 0 HG2 ARG A 69 65.235 -8.274 -18.017 1.00 0.00 H new ATOM 0 HG3 ARG A 69 64.174 -9.465 -18.744 1.00 0.00 H new ATOM 0 HD2 ARG A 69 63.310 -7.115 -16.973 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.046 -7.262 -18.699 1.00 0.00 H new ATOM 0 HE ARG A 69 61.534 -9.297 -18.154 1.00 0.00 H new ATOM 0 HH11 ARG A 69 60.395 -6.571 -17.286 1.00 0.00 H new ATOM 0 HH12 ARG A 69 59.819 -6.960 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.666 -9.900 -15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 69 60.531 -8.822 -14.640 1.00 0.00 H new ATOM 1088 N GLN A 70 63.561 -8.976 -13.098 1.00 0.00 N ATOM 1089 CA GLN A 70 63.106 -9.519 -11.817 1.00 0.00 C ATOM 1090 C GLN A 70 61.659 -9.963 -12.021 1.00 0.00 C ATOM 1091 O GLN A 70 61.400 -10.527 -13.085 1.00 0.00 O ATOM 1092 CB GLN A 70 63.309 -8.321 -10.887 1.00 0.00 C ATOM 1093 CG GLN A 70 63.596 -8.849 -9.541 1.00 0.00 C ATOM 1094 CD GLN A 70 63.389 -7.813 -8.452 1.00 0.00 C ATOM 1095 OE1 GLN A 70 62.565 -7.980 -7.579 1.00 0.00 O ATOM 1096 NE2 GLN A 70 64.108 -6.752 -8.444 1.00 0.00 N ATOM 0 H GLN A 70 63.490 -7.960 -13.145 1.00 0.00 H new ATOM 0 HA GLN A 70 63.616 -10.393 -11.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 64.132 -7.698 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 70 62.418 -7.693 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 70 62.954 -9.708 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 70 64.625 -9.206 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 70 64.804 -6.602 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 70 63.984 -6.057 -7.707 1.00 0.00 H new ATOM 1105 N PRO A 71 60.696 -9.686 -11.127 1.00 0.00 N ATOM 1106 CA PRO A 71 59.366 -10.022 -11.458 1.00 0.00 C ATOM 1107 C PRO A 71 58.947 -9.267 -12.702 1.00 0.00 C ATOM 1108 O PRO A 71 59.626 -8.358 -13.168 1.00 0.00 O ATOM 1109 CB PRO A 71 58.531 -9.661 -10.247 1.00 0.00 C ATOM 1110 CG PRO A 71 59.354 -8.777 -9.399 1.00 0.00 C ATOM 1111 CD PRO A 71 60.781 -9.063 -9.798 1.00 0.00 C ATOM 0 HA PRO A 71 59.242 -11.080 -11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 71 57.612 -9.159 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 71 58.239 -10.557 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 71 59.102 -7.729 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 71 59.192 -8.983 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 71 61.371 -8.147 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 71 61.264 -9.728 -9.082 1.00 0.00 H new ATOM 1119 N GLN A 72 57.828 -9.627 -13.206 1.00 0.00 N ATOM 1120 CA GLN A 72 57.223 -8.935 -14.422 1.00 0.00 C ATOM 1121 C GLN A 72 57.270 -7.408 -14.259 1.00 0.00 C ATOM 1122 O GLN A 72 57.309 -6.676 -15.230 1.00 0.00 O ATOM 1123 CB GLN A 72 55.791 -9.427 -14.672 1.00 0.00 C ATOM 1124 CG GLN A 72 55.820 -10.894 -15.145 1.00 0.00 C ATOM 1125 CD GLN A 72 55.365 -11.010 -16.599 1.00 0.00 C ATOM 1126 OE1 GLN A 72 55.710 -10.201 -17.431 1.00 0.00 O ATOM 1127 NE2 GLN A 72 54.616 -12.002 -16.950 1.00 0.00 N ATOM 0 H GLN A 72 57.263 -10.393 -12.839 1.00 0.00 H new ATOM 0 HA GLN A 72 57.820 -9.194 -15.297 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.202 -9.341 -13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 72 55.308 -8.802 -15.423 1.00 0.00 H new ATOM 0 HG2 GLN A 72 56.829 -11.293 -15.043 1.00 0.00 H new ATOM 0 HG3 GLN A 72 55.173 -11.498 -14.509 1.00 0.00 H new ATOM 0 HE21 GLN A 72 54.320 -12.688 -16.256 1.00 0.00 H new ATOM 0 HE22 GLN A 72 54.320 -12.099 -17.921 1.00 0.00 H new ATOM 1136 N TYR A 73 57.395 -6.976 -13.030 1.00 0.00 N ATOM 1137 CA TYR A 73 57.614 -5.583 -12.668 1.00 0.00 C ATOM 1138 C TYR A 73 59.025 -5.159 -13.245 1.00 0.00 C ATOM 1139 O TYR A 73 59.523 -5.728 -14.203 1.00 0.00 O ATOM 1140 CB TYR A 73 57.488 -5.595 -11.091 1.00 0.00 C ATOM 1141 CG TYR A 73 58.790 -5.473 -10.259 1.00 0.00 C ATOM 1142 CD1 TYR A 73 60.037 -6.055 -10.622 1.00 0.00 C ATOM 1143 CD2 TYR A 73 58.720 -4.712 -9.102 1.00 0.00 C ATOM 1144 CE1 TYR A 73 61.156 -5.837 -9.806 1.00 0.00 C ATOM 1145 CE2 TYR A 73 59.840 -4.500 -8.305 1.00 0.00 C ATOM 1146 CZ TYR A 73 61.056 -5.058 -8.657 1.00 0.00 C ATOM 1147 OH TYR A 73 62.165 -4.836 -7.870 1.00 0.00 O ATOM 0 H TYR A 73 57.347 -7.597 -12.222 1.00 0.00 H new ATOM 0 HA TYR A 73 56.917 -4.849 -13.072 1.00 0.00 H new ATOM 0 HB2 TYR A 73 56.828 -4.777 -10.802 1.00 0.00 H new ATOM 0 HB3 TYR A 73 56.992 -6.522 -10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 73 60.120 -6.657 -11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 73 57.776 -4.275 -8.814 1.00 0.00 H new ATOM 0 HE1 TYR A 73 62.105 -6.278 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 73 59.760 -3.899 -7.411 1.00 0.00 H new ATOM 0 HH TYR A 73 62.086 -3.962 -7.433 1.00 0.00 H new ATOM 1157 N LEU A 74 59.667 -4.226 -12.624 1.00 0.00 N ATOM 1158 CA LEU A 74 61.048 -3.746 -13.013 1.00 0.00 C ATOM 1159 C LEU A 74 61.027 -2.976 -14.355 1.00 0.00 C ATOM 1160 O LEU A 74 61.251 -1.777 -14.377 1.00 0.00 O ATOM 1161 CB LEU A 74 62.032 -4.938 -13.077 1.00 0.00 C ATOM 1162 CG LEU A 74 63.457 -4.416 -12.857 1.00 0.00 C ATOM 1163 CD1 LEU A 74 63.634 -3.966 -11.402 1.00 0.00 C ATOM 1164 CD2 LEU A 74 64.454 -5.519 -13.172 1.00 0.00 C ATOM 0 H LEU A 74 59.284 -3.738 -11.814 1.00 0.00 H new ATOM 0 HA LEU A 74 61.390 -3.051 -12.246 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.779 -5.677 -12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 74 61.958 -5.437 -14.043 1.00 0.00 H new ATOM 0 HG LEU A 74 63.631 -3.565 -13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 74 64.649 -3.597 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.923 -3.171 -11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.456 -4.810 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 74 65.467 -5.149 -13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 74 64.274 -6.371 -12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 74 64.337 -5.830 -14.210 1.00 0.00 H new ATOM 1176 N LEU A 75 60.760 -3.661 -15.448 1.00 0.00 N ATOM 1177 CA LEU A 75 60.716 -3.019 -16.811 1.00 0.00 C ATOM 1178 C LEU A 75 60.288 -4.056 -17.880 1.00 0.00 C ATOM 1179 O LEU A 75 59.233 -3.869 -18.457 1.00 0.00 O ATOM 1180 CB LEU A 75 62.093 -2.404 -17.175 1.00 0.00 C ATOM 1181 CG LEU A 75 63.262 -3.356 -16.834 1.00 0.00 C ATOM 1182 CD1 LEU A 75 64.020 -3.723 -18.110 1.00 0.00 C ATOM 1183 CD2 LEU A 75 64.226 -2.662 -15.870 1.00 0.00 C ATOM 1184 OXT LEU A 75 61.009 -5.025 -18.098 1.00 0.00 O ATOM 0 H LEU A 75 60.566 -4.662 -15.453 1.00 0.00 H new ATOM 0 HA LEU A 75 59.980 -2.216 -16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 75 62.115 -2.170 -18.239 1.00 0.00 H new ATOM 0 HB3 LEU A 75 62.223 -1.464 -16.639 1.00 0.00 H new ATOM 0 HG LEU A 75 62.860 -4.258 -16.372 1.00 0.00 H new ATOM 0 HD11 LEU A 75 64.843 -4.394 -17.864 1.00 0.00 H new ATOM 0 HD12 LEU A 75 63.343 -4.219 -18.806 1.00 0.00 H new ATOM 0 HD13 LEU A 75 64.415 -2.818 -18.571 1.00 0.00 H new ATOM 0 HD21 LEU A 75 65.049 -3.335 -15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 75 64.620 -1.759 -16.336 1.00 0.00 H new ATOM 0 HD23 LEU A 75 63.697 -2.397 -14.955 1.00 0.00 H new TER 1196 LEU A 75