USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 51 MET CE :methyl 171:sc= -0.289 (180deg=-0.444) USER MOD Set 1.2: A 87 MET CE :methyl -161:sc= -3.59! (180deg=-4.74!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.113) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -1.42! C(o=-6.7!,f=-1.4!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.125 USER MOD Single : A 49 ASN : amide:sc= -0.0538 K(o=-0.054,f=-2.1!) USER MOD Single : A 50 CYS SG : rot 48:sc= -0.536 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -179:sc= -1.11 USER MOD Single : A 68 GLN : amide:sc= -1.26 K(o=-1.3,f=-5!) USER MOD Single : A 69 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.4) USER MOD Single : A 71 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.7!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.49) USER MOD Single : A 77 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.083) USER MOD Single : A 90 LYS NZ :NH3+ 139:sc= -0.33 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -13.696 -3.894 -13.946 1.00 0.00 N ATOM 68 CA ARG A 20 -14.410 -2.826 -13.203 1.00 0.00 C ATOM 69 C ARG A 20 -13.531 -1.565 -13.078 1.00 0.00 C ATOM 70 O ARG A 20 -12.336 -1.662 -12.885 1.00 0.00 O ATOM 71 CB ARG A 20 -14.712 -3.350 -11.790 1.00 0.00 C ATOM 72 CG ARG A 20 -16.190 -3.734 -11.702 1.00 0.00 C ATOM 73 CD ARG A 20 -16.379 -4.725 -10.551 1.00 0.00 C ATOM 74 NE ARG A 20 -15.831 -6.048 -10.956 1.00 0.00 N ATOM 75 CZ ARG A 20 -16.408 -7.138 -10.533 1.00 0.00 C ATOM 76 NH1 ARG A 20 -17.227 -7.064 -9.520 1.00 0.00 N ATOM 77 NH2 ARG A 20 -16.149 -8.264 -11.138 1.00 0.00 N ATOM 0 HA ARG A 20 -15.324 -2.566 -13.737 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.086 -4.214 -11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.477 -2.587 -11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.801 -2.846 -11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.520 -4.179 -12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.871 -4.365 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.436 -4.816 -10.302 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.011 -6.102 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.406 -6.165 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.688 -7.906 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.504 -8.282 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.591 -9.127 -10.821 1.00 0.00 H new ATOM 91 N PRO A 21 -14.147 -0.392 -13.192 1.00 0.00 N ATOM 92 CA PRO A 21 -13.410 0.868 -13.090 1.00 0.00 C ATOM 93 C PRO A 21 -12.732 1.013 -11.724 1.00 0.00 C ATOM 94 O PRO A 21 -11.607 1.467 -11.631 1.00 0.00 O ATOM 95 CB PRO A 21 -14.480 1.970 -13.253 1.00 0.00 C ATOM 96 CG PRO A 21 -15.859 1.259 -13.400 1.00 0.00 C ATOM 97 CD PRO A 21 -15.592 -0.253 -13.431 1.00 0.00 C ATOM 0 HA PRO A 21 -12.621 0.923 -13.840 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.481 2.635 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.269 2.584 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.515 1.516 -12.568 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.361 1.579 -14.313 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.170 -0.771 -12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.876 -0.684 -14.391 1.00 0.00 H new ATOM 105 N GLU A 22 -13.431 0.625 -10.690 1.00 0.00 N ATOM 106 CA GLU A 22 -12.844 0.734 -9.328 1.00 0.00 C ATOM 107 C GLU A 22 -11.476 0.077 -9.276 1.00 0.00 C ATOM 108 O GLU A 22 -10.683 0.354 -8.397 1.00 0.00 O ATOM 109 CB GLU A 22 -13.773 0.011 -8.335 1.00 0.00 C ATOM 110 CG GLU A 22 -15.206 0.516 -8.523 1.00 0.00 C ATOM 111 CD GLU A 22 -16.180 -0.457 -7.850 1.00 0.00 C ATOM 112 OE1 GLU A 22 -16.082 -0.571 -6.639 1.00 0.00 O ATOM 113 OE2 GLU A 22 -16.967 -1.030 -8.585 1.00 0.00 O ATOM 0 H GLU A 22 -14.375 0.241 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.739 1.788 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.730 -1.066 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.443 0.192 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.312 1.511 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.437 0.603 -9.585 1.00 0.00 H new ATOM 120 N GLU A 23 -11.219 -0.784 -10.218 1.00 0.00 N ATOM 121 CA GLU A 23 -9.905 -1.467 -10.235 1.00 0.00 C ATOM 122 C GLU A 23 -8.811 -0.517 -10.690 1.00 0.00 C ATOM 123 O GLU A 23 -7.842 -0.302 -9.990 1.00 0.00 O ATOM 124 CB GLU A 23 -9.978 -2.645 -11.218 1.00 0.00 C ATOM 125 CG GLU A 23 -11.118 -3.580 -10.802 1.00 0.00 C ATOM 126 CD GLU A 23 -11.142 -4.792 -11.735 1.00 0.00 C ATOM 127 OE1 GLU A 23 -11.706 -4.640 -12.807 1.00 0.00 O ATOM 128 OE2 GLU A 23 -10.595 -5.802 -11.325 1.00 0.00 O ATOM 0 H GLU A 23 -11.858 -1.041 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.672 -1.814 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.144 -2.279 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.032 -3.187 -11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.981 -3.903 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.071 -3.053 -10.847 1.00 0.00 H new ATOM 135 N ILE A 24 -8.980 0.037 -11.856 1.00 0.00 N ATOM 136 CA ILE A 24 -7.954 0.973 -12.363 1.00 0.00 C ATOM 137 C ILE A 24 -7.756 2.131 -11.396 1.00 0.00 C ATOM 138 O ILE A 24 -6.731 2.785 -11.408 1.00 0.00 O ATOM 139 CB ILE A 24 -8.424 1.529 -13.705 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.824 0.388 -14.632 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.261 2.299 -14.347 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.565 -0.233 -15.246 1.00 0.00 C ATOM 0 H ILE A 24 -9.778 -0.119 -12.472 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.009 0.440 -12.471 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.282 2.183 -13.547 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.382 -0.367 -14.078 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.482 0.757 -15.419 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.579 2.704 -15.308 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.959 3.116 -13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.418 1.625 -14.498 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.849 -1.050 -15.910 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.025 0.525 -15.814 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.924 -0.617 -14.452 1.00 0.00 H new ATOM 154 N GLU A 25 -8.742 2.367 -10.572 1.00 0.00 N ATOM 155 CA GLU A 25 -8.622 3.477 -9.600 1.00 0.00 C ATOM 156 C GLU A 25 -7.708 3.074 -8.456 1.00 0.00 C ATOM 157 O GLU A 25 -6.741 3.749 -8.162 1.00 0.00 O ATOM 158 CB GLU A 25 -10.017 3.788 -9.033 1.00 0.00 C ATOM 159 CG GLU A 25 -10.877 4.436 -10.121 1.00 0.00 C ATOM 160 CD GLU A 25 -12.334 4.486 -9.650 1.00 0.00 C ATOM 161 OE1 GLU A 25 -12.526 4.275 -8.464 1.00 0.00 O ATOM 162 OE2 GLU A 25 -13.171 4.732 -10.503 1.00 0.00 O ATOM 0 H GLU A 25 -9.615 1.841 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.206 4.351 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.490 2.872 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.932 4.456 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.517 5.442 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.801 3.867 -11.048 1.00 0.00 H new ATOM 169 N GLU A 26 -8.032 1.977 -7.827 1.00 0.00 N ATOM 170 CA GLU A 26 -7.191 1.521 -6.705 1.00 0.00 C ATOM 171 C GLU A 26 -5.745 1.414 -7.153 1.00 0.00 C ATOM 172 O GLU A 26 -4.834 1.755 -6.422 1.00 0.00 O ATOM 173 CB GLU A 26 -7.687 0.138 -6.259 1.00 0.00 C ATOM 174 CG GLU A 26 -7.025 -0.227 -4.932 1.00 0.00 C ATOM 175 CD GLU A 26 -7.491 -1.620 -4.503 1.00 0.00 C ATOM 176 OE1 GLU A 26 -6.911 -2.565 -5.010 1.00 0.00 O ATOM 177 OE2 GLU A 26 -8.401 -1.660 -3.691 1.00 0.00 O ATOM 0 H GLU A 26 -8.836 1.388 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.255 2.233 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.771 0.145 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.449 -0.609 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.940 -0.210 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.284 0.507 -4.169 1.00 0.00 H new ATOM 184 N LEU A 27 -5.555 0.945 -8.355 1.00 0.00 N ATOM 185 CA LEU A 27 -4.179 0.812 -8.866 1.00 0.00 C ATOM 186 C LEU A 27 -3.520 2.180 -8.921 1.00 0.00 C ATOM 187 O LEU A 27 -2.493 2.411 -8.315 1.00 0.00 O ATOM 188 CB LEU A 27 -4.257 0.247 -10.291 1.00 0.00 C ATOM 189 CG LEU A 27 -3.466 -1.051 -10.372 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.741 -1.702 -11.723 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.973 -0.743 -10.257 1.00 0.00 C ATOM 0 H LEU A 27 -6.293 0.652 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.599 0.157 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.297 0.068 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.860 0.971 -11.002 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.761 -1.720 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.181 -2.634 -11.798 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.807 -1.910 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.431 -1.028 -12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.405 -1.671 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.674 -0.083 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.775 -0.255 -9.303 1.00 0.00 H new ATOM 203 N ARG A 28 -4.133 3.059 -9.655 1.00 0.00 N ATOM 204 CA ARG A 28 -3.584 4.430 -9.786 1.00 0.00 C ATOM 205 C ARG A 28 -3.233 5.028 -8.428 1.00 0.00 C ATOM 206 O ARG A 28 -2.243 5.719 -8.296 1.00 0.00 O ATOM 207 CB ARG A 28 -4.655 5.304 -10.456 1.00 0.00 C ATOM 208 CG ARG A 28 -4.387 6.776 -10.137 1.00 0.00 C ATOM 209 CD ARG A 28 -5.325 7.644 -10.981 1.00 0.00 C ATOM 210 NE ARG A 28 -5.017 9.081 -10.734 1.00 0.00 N ATOM 211 CZ ARG A 28 -5.623 9.995 -11.442 1.00 0.00 C ATOM 212 NH1 ARG A 28 -5.186 10.255 -12.643 1.00 0.00 N ATOM 213 NH2 ARG A 28 -6.649 10.618 -10.925 1.00 0.00 N ATOM 0 H ARG A 28 -4.995 2.886 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.670 4.390 -10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.645 5.147 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.646 5.019 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.549 6.967 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.348 7.025 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.203 7.410 -12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.363 7.433 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.340 9.348 -10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.383 9.747 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.647 10.966 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.964 10.387 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.135 11.335 -11.464 1.00 0.00 H new ATOM 227 N GLU A 29 -4.041 4.763 -7.440 1.00 0.00 N ATOM 228 CA GLU A 29 -3.739 5.325 -6.102 1.00 0.00 C ATOM 229 C GLU A 29 -2.419 4.779 -5.569 1.00 0.00 C ATOM 230 O GLU A 29 -1.660 5.491 -4.942 1.00 0.00 O ATOM 231 CB GLU A 29 -4.872 4.944 -5.136 1.00 0.00 C ATOM 232 CG GLU A 29 -5.615 6.217 -4.715 1.00 0.00 C ATOM 233 CD GLU A 29 -6.463 5.931 -3.476 1.00 0.00 C ATOM 234 OE1 GLU A 29 -5.893 6.009 -2.401 1.00 0.00 O ATOM 235 OE2 GLU A 29 -7.635 5.653 -3.674 1.00 0.00 O ATOM 0 H GLU A 29 -4.883 4.191 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.656 6.409 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.559 4.248 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.466 4.437 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.901 7.013 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.250 6.566 -5.530 1.00 0.00 H new ATOM 242 N ALA A 30 -2.166 3.522 -5.821 1.00 0.00 N ATOM 243 CA ALA A 30 -0.895 2.928 -5.330 1.00 0.00 C ATOM 244 C ALA A 30 0.309 3.588 -6.001 1.00 0.00 C ATOM 245 O ALA A 30 1.226 4.027 -5.333 1.00 0.00 O ATOM 246 CB ALA A 30 -0.888 1.428 -5.661 1.00 0.00 C ATOM 0 H ALA A 30 -2.777 2.890 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.826 3.086 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.040 0.981 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.734 0.944 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.965 1.293 -6.740 1.00 0.00 H new ATOM 252 N PHE A 31 0.294 3.652 -7.311 1.00 0.00 N ATOM 253 CA PHE A 31 1.440 4.283 -8.012 1.00 0.00 C ATOM 254 C PHE A 31 1.669 5.682 -7.481 1.00 0.00 C ATOM 255 O PHE A 31 2.786 6.164 -7.423 1.00 0.00 O ATOM 256 CB PHE A 31 1.109 4.386 -9.507 1.00 0.00 C ATOM 257 CG PHE A 31 2.381 4.739 -10.277 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.878 6.028 -10.269 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.052 3.770 -10.989 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.030 6.332 -10.964 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.198 4.073 -11.682 1.00 0.00 C ATOM 262 CZ PHE A 31 4.686 5.350 -11.670 1.00 0.00 C ATOM 0 H PHE A 31 -0.452 3.299 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 31 2.333 3.679 -7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.701 3.442 -9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.346 5.147 -9.672 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.363 6.800 -9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.672 2.759 -11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.417 7.340 -10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.714 3.303 -12.236 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.587 5.588 -12.215 1.00 0.00 H new ATOM 272 N ARG A 32 0.603 6.306 -7.090 1.00 0.00 N ATOM 273 CA ARG A 32 0.726 7.686 -6.554 1.00 0.00 C ATOM 274 C ARG A 32 1.110 7.666 -5.093 1.00 0.00 C ATOM 275 O ARG A 32 2.083 8.276 -4.698 1.00 0.00 O ATOM 276 CB ARG A 32 -0.619 8.382 -6.690 1.00 0.00 C ATOM 277 CG ARG A 32 -0.401 9.898 -6.664 1.00 0.00 C ATOM 278 CD ARG A 32 -1.656 10.595 -7.188 1.00 0.00 C ATOM 279 NE ARG A 32 -1.439 10.978 -8.611 1.00 0.00 N ATOM 280 CZ ARG A 32 -2.165 11.928 -9.135 1.00 0.00 C ATOM 281 NH1 ARG A 32 -3.464 11.805 -9.125 1.00 0.00 N ATOM 282 NH2 ARG A 32 -1.568 12.968 -9.648 1.00 0.00 N ATOM 0 H ARG A 32 -0.343 5.927 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 32 1.499 8.211 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.103 8.087 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.282 8.083 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.184 10.229 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.460 10.164 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.518 9.933 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.874 11.479 -6.589 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.730 10.503 -9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.895 10.977 -8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.049 12.536 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.550 13.029 -9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.119 13.720 -10.062 1.00 0.00 H new ATOM 296 N GLU A 33 0.325 6.980 -4.306 1.00 0.00 N ATOM 297 CA GLU A 33 0.632 6.907 -2.862 1.00 0.00 C ATOM 298 C GLU A 33 2.115 6.672 -2.668 1.00 0.00 C ATOM 299 O GLU A 33 2.673 6.990 -1.638 1.00 0.00 O ATOM 300 CB GLU A 33 -0.143 5.725 -2.265 1.00 0.00 C ATOM 301 CG GLU A 33 -0.116 5.818 -0.741 1.00 0.00 C ATOM 302 CD GLU A 33 -1.124 6.870 -0.280 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.852 7.336 -1.141 1.00 0.00 O ATOM 304 OE2 GLU A 33 -1.110 7.149 0.907 1.00 0.00 O ATOM 0 H GLU A 33 -0.508 6.473 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 33 0.348 7.839 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.173 5.733 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.300 4.784 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.357 4.850 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.885 6.082 -0.399 1.00 0.00 H new ATOM 311 N PHE A 34 2.726 6.116 -3.682 1.00 0.00 N ATOM 312 CA PHE A 34 4.174 5.837 -3.609 1.00 0.00 C ATOM 313 C PHE A 34 4.975 6.895 -4.358 1.00 0.00 C ATOM 314 O PHE A 34 6.150 7.063 -4.114 1.00 0.00 O ATOM 315 CB PHE A 34 4.438 4.469 -4.248 1.00 0.00 C ATOM 316 CG PHE A 34 4.392 3.400 -3.158 1.00 0.00 C ATOM 317 CD1 PHE A 34 3.178 2.922 -2.699 1.00 0.00 C ATOM 318 CD2 PHE A 34 5.561 2.917 -2.596 1.00 0.00 C ATOM 319 CE1 PHE A 34 3.135 1.978 -1.695 1.00 0.00 C ATOM 320 CE2 PHE A 34 5.515 1.972 -1.593 1.00 0.00 C ATOM 321 CZ PHE A 34 4.304 1.505 -1.143 1.00 0.00 C ATOM 0 H PHE A 34 2.275 5.846 -4.556 1.00 0.00 H new ATOM 0 HA PHE A 34 4.483 5.847 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.691 4.260 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.410 4.464 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.259 3.290 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.515 3.283 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.183 1.609 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.432 1.599 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.269 0.766 -0.356 1.00 0.00 H new ATOM 331 N ASP A 35 4.328 7.587 -5.275 1.00 0.00 N ATOM 332 CA ASP A 35 5.054 8.630 -6.034 1.00 0.00 C ATOM 333 C ASP A 35 5.494 9.749 -5.102 1.00 0.00 C ATOM 334 O ASP A 35 4.973 10.848 -5.152 1.00 0.00 O ATOM 335 CB ASP A 35 4.112 9.208 -7.096 1.00 0.00 C ATOM 336 CG ASP A 35 4.756 10.442 -7.732 1.00 0.00 C ATOM 337 OD1 ASP A 35 5.949 10.367 -7.969 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.017 11.390 -7.943 1.00 0.00 O ATOM 0 H ASP A 35 3.345 7.468 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 35 5.935 8.189 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.904 8.459 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.157 9.475 -6.644 1.00 0.00 H new ATOM 343 N LYS A 36 6.446 9.434 -4.269 1.00 0.00 N ATOM 344 CA LYS A 36 6.965 10.430 -3.309 1.00 0.00 C ATOM 345 C LYS A 36 8.361 10.826 -3.713 1.00 0.00 C ATOM 346 O LYS A 36 8.985 11.664 -3.096 1.00 0.00 O ATOM 347 CB LYS A 36 7.007 9.765 -1.910 1.00 0.00 C ATOM 348 CG LYS A 36 7.906 10.573 -0.962 1.00 0.00 C ATOM 349 CD LYS A 36 7.569 10.188 0.483 1.00 0.00 C ATOM 350 CE LYS A 36 8.710 10.622 1.413 1.00 0.00 C ATOM 351 NZ LYS A 36 8.460 11.990 1.948 1.00 0.00 N ATOM 0 H LYS A 36 6.888 8.516 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 36 6.330 11.316 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.999 9.701 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.381 8.745 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.956 10.369 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.752 11.641 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.637 10.664 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.416 9.111 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.803 9.915 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.655 10.605 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.243 12.266 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.394 12.665 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.569 11.996 2.484 1.00 0.00 H new ATOM 365 N ASP A 37 8.825 10.227 -4.772 1.00 0.00 N ATOM 366 CA ASP A 37 10.181 10.550 -5.241 1.00 0.00 C ATOM 367 C ASP A 37 10.186 11.879 -5.950 1.00 0.00 C ATOM 368 O ASP A 37 10.337 12.914 -5.333 1.00 0.00 O ATOM 369 CB ASP A 37 10.627 9.464 -6.234 1.00 0.00 C ATOM 370 CG ASP A 37 9.392 8.815 -6.868 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.474 9.566 -7.161 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.437 7.606 -7.025 1.00 0.00 O ATOM 0 H ASP A 37 8.321 9.533 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 37 10.855 10.597 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.259 9.900 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.225 8.710 -5.721 1.00 0.00 H new ATOM 377 N LYS A 38 9.980 11.818 -7.236 1.00 0.00 N ATOM 378 CA LYS A 38 9.964 13.066 -8.058 1.00 0.00 C ATOM 379 C LYS A 38 10.042 12.738 -9.550 1.00 0.00 C ATOM 380 O LYS A 38 9.676 13.543 -10.383 1.00 0.00 O ATOM 381 CB LYS A 38 11.199 13.931 -7.700 1.00 0.00 C ATOM 382 CG LYS A 38 10.726 15.269 -7.119 1.00 0.00 C ATOM 383 CD LYS A 38 11.916 16.222 -7.030 1.00 0.00 C ATOM 384 CE LYS A 38 11.564 17.381 -6.095 1.00 0.00 C ATOM 385 NZ LYS A 38 10.373 18.118 -6.603 1.00 0.00 N ATOM 0 H LYS A 38 9.821 10.956 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 38 9.036 13.597 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.827 13.409 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.808 14.101 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.947 15.698 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.291 15.117 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.794 15.693 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.168 16.602 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.363 17.000 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.412 18.061 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.288 19.027 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.481 18.292 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.517 17.551 -6.437 1.00 0.00 H new ATOM 399 N ASP A 39 10.518 11.561 -9.860 1.00 0.00 N ATOM 400 CA ASP A 39 10.628 11.173 -11.291 1.00 0.00 C ATOM 401 C ASP A 39 9.319 10.607 -11.823 1.00 0.00 C ATOM 402 O ASP A 39 9.259 10.121 -12.934 1.00 0.00 O ATOM 403 CB ASP A 39 11.712 10.092 -11.409 1.00 0.00 C ATOM 404 CG ASP A 39 11.433 8.985 -10.389 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.282 8.892 -9.992 1.00 0.00 O ATOM 406 OD2 ASP A 39 12.385 8.294 -10.064 1.00 0.00 O ATOM 0 H ASP A 39 10.832 10.860 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 39 10.876 12.060 -11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.722 9.679 -12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.696 10.526 -11.232 1.00 0.00 H new ATOM 411 N GLY A 40 8.294 10.680 -11.030 1.00 0.00 N ATOM 412 CA GLY A 40 6.987 10.146 -11.493 1.00 0.00 C ATOM 413 C GLY A 40 7.122 8.668 -11.875 1.00 0.00 C ATOM 414 O GLY A 40 6.177 8.063 -12.342 1.00 0.00 O ATOM 0 H GLY A 40 8.301 11.081 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.241 10.259 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.635 10.720 -12.350 1.00 0.00 H new ATOM 418 N TYR A 41 8.304 8.125 -11.674 1.00 0.00 N ATOM 419 CA TYR A 41 8.532 6.687 -12.015 1.00 0.00 C ATOM 420 C TYR A 41 8.918 5.902 -10.771 1.00 0.00 C ATOM 421 O TYR A 41 9.708 6.360 -9.971 1.00 0.00 O ATOM 422 CB TYR A 41 9.691 6.589 -13.028 1.00 0.00 C ATOM 423 CG TYR A 41 9.407 7.486 -14.241 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.175 7.461 -14.873 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.388 8.329 -14.727 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.933 8.267 -15.969 1.00 0.00 C ATOM 427 CE2 TYR A 41 10.143 9.133 -15.823 1.00 0.00 C ATOM 428 CZ TYR A 41 8.916 9.109 -16.451 1.00 0.00 C ATOM 429 OH TYR A 41 8.675 9.916 -17.545 1.00 0.00 O ATOM 0 H TYR A 41 9.113 8.615 -11.291 1.00 0.00 H new ATOM 0 HA TYR A 41 7.614 6.276 -12.434 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.625 6.890 -12.554 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.816 5.556 -13.351 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.398 6.807 -14.507 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.354 8.359 -14.246 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.968 8.238 -16.452 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.920 9.787 -16.191 1.00 0.00 H new ATOM 0 HH TYR A 41 9.476 10.443 -17.745 1.00 0.00 H new ATOM 439 N ILE A 42 8.355 4.729 -10.625 1.00 0.00 N ATOM 440 CA ILE A 42 8.688 3.912 -9.429 1.00 0.00 C ATOM 441 C ILE A 42 9.823 2.947 -9.734 1.00 0.00 C ATOM 442 O ILE A 42 9.949 2.461 -10.844 1.00 0.00 O ATOM 443 CB ILE A 42 7.460 3.104 -9.022 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.814 2.512 -10.249 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.448 4.037 -8.340 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.670 1.601 -9.817 1.00 0.00 C ATOM 0 H ILE A 42 7.689 4.310 -11.274 1.00 0.00 H new ATOM 0 HA ILE A 42 8.996 4.581 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 42 7.762 2.308 -8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.440 3.305 -10.897 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.547 1.948 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.567 3.466 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.903 4.483 -7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.155 4.825 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.197 1.168 -10.698 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.059 0.803 -9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.935 2.180 -9.258 1.00 0.00 H new ATOM 458 N ASN A 43 10.629 2.684 -8.742 1.00 0.00 N ATOM 459 CA ASN A 43 11.761 1.753 -8.950 1.00 0.00 C ATOM 460 C ASN A 43 11.335 0.326 -8.646 1.00 0.00 C ATOM 461 O ASN A 43 10.349 0.097 -7.975 1.00 0.00 O ATOM 462 CB ASN A 43 12.901 2.137 -7.992 1.00 0.00 C ATOM 463 CG ASN A 43 13.157 3.643 -8.074 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.417 4.371 -8.864 1.00 0.00 O flip ATOM 465 ND2 ASN A 43 14.033 4.169 -7.417 1.00 0.00 N flip ATOM 0 H ASN A 43 10.549 3.074 -7.803 1.00 0.00 H new ATOM 0 HA ASN A 43 12.088 1.818 -9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.641 1.857 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.807 1.590 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.615 3.605 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.187 5.175 -7.485 1.00 0.00 H new ATOM 472 N CYS A 44 12.080 -0.609 -9.148 1.00 0.00 N ATOM 473 CA CYS A 44 11.730 -2.023 -8.896 1.00 0.00 C ATOM 474 C CYS A 44 11.723 -2.318 -7.401 1.00 0.00 C ATOM 475 O CYS A 44 10.961 -3.140 -6.931 1.00 0.00 O ATOM 476 CB CYS A 44 12.788 -2.908 -9.574 1.00 0.00 C ATOM 477 SG CYS A 44 14.505 -2.336 -9.518 1.00 0.00 S ATOM 0 H CYS A 44 12.911 -0.456 -9.719 1.00 0.00 H new ATOM 0 HA CYS A 44 10.736 -2.225 -9.295 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.746 -3.896 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.507 -3.030 -10.620 1.00 0.00 H new ATOM 0 HG CYS A 44 15.268 -3.192 -10.130 1.00 0.00 H new ATOM 483 N ARG A 45 12.575 -1.647 -6.680 1.00 0.00 N ATOM 484 CA ARG A 45 12.626 -1.880 -5.218 1.00 0.00 C ATOM 485 C ARG A 45 11.443 -1.218 -4.529 1.00 0.00 C ATOM 486 O ARG A 45 11.089 -1.571 -3.422 1.00 0.00 O ATOM 487 CB ARG A 45 13.921 -1.265 -4.670 1.00 0.00 C ATOM 488 CG ARG A 45 14.182 -1.817 -3.266 1.00 0.00 C ATOM 489 CD ARG A 45 14.355 -3.334 -3.347 1.00 0.00 C ATOM 490 NE ARG A 45 14.778 -3.695 -4.729 1.00 0.00 N ATOM 491 CZ ARG A 45 15.655 -4.643 -4.904 1.00 0.00 C ATOM 492 NH1 ARG A 45 15.520 -5.759 -4.243 1.00 0.00 N ATOM 493 NH2 ARG A 45 16.640 -4.441 -5.735 1.00 0.00 N ATOM 0 H ARG A 45 13.232 -0.954 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 45 12.592 -2.953 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.757 -1.501 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.837 -0.179 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.076 -1.359 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.352 -1.568 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.100 -3.668 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.420 -3.835 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 45 14.384 -3.204 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.737 -5.880 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.198 -6.511 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.713 -3.554 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.337 -5.170 -5.886 1.00 0.00 H new ATOM 507 N ASP A 46 10.849 -0.263 -5.196 1.00 0.00 N ATOM 508 CA ASP A 46 9.690 0.426 -4.589 1.00 0.00 C ATOM 509 C ASP A 46 8.456 -0.457 -4.648 1.00 0.00 C ATOM 510 O ASP A 46 7.766 -0.623 -3.665 1.00 0.00 O ATOM 511 CB ASP A 46 9.415 1.724 -5.372 1.00 0.00 C ATOM 512 CG ASP A 46 10.594 2.681 -5.190 1.00 0.00 C ATOM 513 OD1 ASP A 46 11.517 2.275 -4.505 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.506 3.762 -5.748 1.00 0.00 O ATOM 0 H ASP A 46 11.118 0.062 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 46 9.916 0.649 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.272 1.501 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.495 2.189 -5.017 1.00 0.00 H new ATOM 519 N LEU A 47 8.193 -1.016 -5.801 1.00 0.00 N ATOM 520 CA LEU A 47 7.004 -1.886 -5.913 1.00 0.00 C ATOM 521 C LEU A 47 6.976 -2.908 -4.794 1.00 0.00 C ATOM 522 O LEU A 47 5.959 -3.095 -4.172 1.00 0.00 O ATOM 523 CB LEU A 47 7.049 -2.600 -7.259 1.00 0.00 C ATOM 524 CG LEU A 47 6.476 -1.664 -8.324 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.555 -0.675 -8.769 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.019 -2.484 -9.510 1.00 0.00 C ATOM 0 H LEU A 47 8.745 -0.906 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 47 6.104 -1.275 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.074 -2.875 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.473 -3.524 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 47 5.631 -1.112 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.146 -0.008 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.887 -0.089 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.401 -1.222 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.609 -1.823 -10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.867 -3.032 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.251 -3.189 -9.191 1.00 0.00 H new ATOM 538 N GLY A 48 8.084 -3.575 -4.569 1.00 0.00 N ATOM 539 CA GLY A 48 8.106 -4.587 -3.475 1.00 0.00 C ATOM 540 C GLY A 48 7.374 -4.021 -2.260 1.00 0.00 C ATOM 541 O GLY A 48 6.607 -4.707 -1.611 1.00 0.00 O ATOM 0 H GLY A 48 8.956 -3.463 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.629 -5.510 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.134 -4.836 -3.213 1.00 0.00 H new ATOM 545 N ASN A 49 7.620 -2.765 -1.988 1.00 0.00 N ATOM 546 CA ASN A 49 6.952 -2.134 -0.833 1.00 0.00 C ATOM 547 C ASN A 49 5.510 -1.786 -1.198 1.00 0.00 C ATOM 548 O ASN A 49 4.642 -1.762 -0.347 1.00 0.00 O ATOM 549 CB ASN A 49 7.708 -0.846 -0.457 1.00 0.00 C ATOM 550 CG ASN A 49 8.987 -1.213 0.302 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.203 -2.353 0.662 1.00 0.00 O ATOM 552 ND2 ASN A 49 9.859 -0.277 0.565 1.00 0.00 N ATOM 0 H ASN A 49 8.250 -2.161 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 49 6.953 -2.825 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.954 -0.280 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.076 -0.207 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.715 -0.505 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.684 0.682 0.265 1.00 0.00 H new ATOM 559 N CYS A 50 5.275 -1.525 -2.470 1.00 0.00 N ATOM 560 CA CYS A 50 3.899 -1.181 -2.894 1.00 0.00 C ATOM 561 C CYS A 50 3.079 -2.449 -3.001 1.00 0.00 C ATOM 562 O CYS A 50 1.926 -2.489 -2.615 1.00 0.00 O ATOM 563 CB CYS A 50 3.959 -0.511 -4.276 1.00 0.00 C ATOM 564 SG CYS A 50 2.691 0.723 -4.658 1.00 0.00 S ATOM 0 H CYS A 50 5.974 -1.538 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 50 3.445 -0.507 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.934 -0.035 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.906 -1.294 -5.033 1.00 0.00 H new ATOM 0 HG CYS A 50 2.594 1.565 -3.672 1.00 0.00 H new ATOM 570 N MET A 51 3.696 -3.466 -3.524 1.00 0.00 N ATOM 571 CA MET A 51 2.996 -4.746 -3.673 1.00 0.00 C ATOM 572 C MET A 51 2.579 -5.260 -2.310 1.00 0.00 C ATOM 573 O MET A 51 1.551 -5.890 -2.169 1.00 0.00 O ATOM 574 CB MET A 51 3.966 -5.745 -4.323 1.00 0.00 C ATOM 575 CG MET A 51 4.286 -5.276 -5.748 1.00 0.00 C ATOM 576 SD MET A 51 3.516 -6.179 -7.116 1.00 0.00 S ATOM 577 CE MET A 51 1.793 -5.823 -6.689 1.00 0.00 C ATOM 0 H MET A 51 4.661 -3.456 -3.854 1.00 0.00 H new ATOM 0 HA MET A 51 2.106 -4.622 -4.290 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.882 -5.817 -3.736 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.522 -6.740 -4.345 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.996 -4.228 -5.831 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.367 -5.319 -5.882 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.142 -6.155 -7.498 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.529 -6.349 -5.772 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.669 -4.750 -6.540 1.00 0.00 H new ATOM 587 N ARG A 52 3.391 -4.983 -1.322 1.00 0.00 N ATOM 588 CA ARG A 52 3.049 -5.448 0.038 1.00 0.00 C ATOM 589 C ARG A 52 1.901 -4.615 0.596 1.00 0.00 C ATOM 590 O ARG A 52 1.025 -5.126 1.264 1.00 0.00 O ATOM 591 CB ARG A 52 4.282 -5.285 0.946 1.00 0.00 C ATOM 592 CG ARG A 52 4.018 -6.004 2.277 1.00 0.00 C ATOM 593 CD ARG A 52 5.330 -6.591 2.813 1.00 0.00 C ATOM 594 NE ARG A 52 6.165 -5.488 3.376 1.00 0.00 N ATOM 595 CZ ARG A 52 5.904 -5.026 4.572 1.00 0.00 C ATOM 596 NH1 ARG A 52 5.145 -5.726 5.372 1.00 0.00 N ATOM 597 NH2 ARG A 52 6.413 -3.879 4.929 1.00 0.00 N ATOM 0 H ARG A 52 4.263 -4.461 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 52 2.747 -6.495 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.165 -5.702 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.484 -4.228 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.597 -5.307 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.284 -6.797 2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.123 -7.335 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.869 -7.100 2.014 1.00 0.00 H new ATOM 0 HE ARG A 52 6.934 -5.097 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.765 -6.620 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.933 -5.379 6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.003 -3.359 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.221 -3.503 5.857 1.00 0.00 H new ATOM 611 N THR A 53 1.924 -3.338 0.303 1.00 0.00 N ATOM 612 CA THR A 53 0.843 -2.453 0.805 1.00 0.00 C ATOM 613 C THR A 53 -0.481 -2.789 0.120 1.00 0.00 C ATOM 614 O THR A 53 -1.541 -2.457 0.617 1.00 0.00 O ATOM 615 CB THR A 53 1.228 -0.995 0.487 1.00 0.00 C ATOM 616 OG1 THR A 53 1.694 -0.458 1.709 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.012 -0.150 0.145 1.00 0.00 C ATOM 0 H THR A 53 2.641 -2.878 -0.258 1.00 0.00 H new ATOM 0 HA THR A 53 0.722 -2.594 1.879 1.00 0.00 H new ATOM 0 HB THR A 53 1.937 -0.978 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.960 0.476 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.294 0.873 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.512 -0.574 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.697 -0.150 0.993 1.00 0.00 H new ATOM 625 N MET A 54 -0.387 -3.443 -1.015 1.00 0.00 N ATOM 626 CA MET A 54 -1.616 -3.819 -1.761 1.00 0.00 C ATOM 627 C MET A 54 -1.904 -5.309 -1.609 1.00 0.00 C ATOM 628 O MET A 54 -3.035 -5.711 -1.420 1.00 0.00 O ATOM 629 CB MET A 54 -1.390 -3.517 -3.253 1.00 0.00 C ATOM 630 CG MET A 54 -2.366 -4.353 -4.087 1.00 0.00 C ATOM 631 SD MET A 54 -4.106 -4.346 -3.586 1.00 0.00 S ATOM 632 CE MET A 54 -4.784 -5.070 -5.101 1.00 0.00 C ATOM 0 H MET A 54 0.490 -3.729 -1.451 1.00 0.00 H new ATOM 0 HA MET A 54 -2.459 -3.252 -1.366 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.542 -2.456 -3.449 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.362 -3.749 -3.532 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.311 -4.006 -5.119 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.017 -5.386 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.866 -5.159 -5.009 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.543 -4.430 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.351 -6.058 -5.258 1.00 0.00 H new ATOM 642 N GLY A 55 -0.868 -6.103 -1.695 1.00 0.00 N ATOM 643 CA GLY A 55 -1.058 -7.578 -1.557 1.00 0.00 C ATOM 644 C GLY A 55 -0.952 -7.996 -0.090 1.00 0.00 C ATOM 645 O GLY A 55 -0.995 -9.168 0.228 1.00 0.00 O ATOM 0 H GLY A 55 0.092 -5.798 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.032 -7.864 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.307 -8.104 -2.146 1.00 0.00 H new ATOM 649 N TYR A 56 -0.807 -7.030 0.768 1.00 0.00 N ATOM 650 CA TYR A 56 -0.696 -7.345 2.212 1.00 0.00 C ATOM 651 C TYR A 56 0.607 -8.038 2.527 1.00 0.00 C ATOM 652 O TYR A 56 1.379 -7.586 3.349 1.00 0.00 O ATOM 653 CB TYR A 56 -1.857 -8.276 2.599 1.00 0.00 C ATOM 654 CG TYR A 56 -2.422 -7.838 3.954 1.00 0.00 C ATOM 655 CD1 TYR A 56 -1.579 -7.627 5.028 1.00 0.00 C ATOM 656 CD2 TYR A 56 -3.778 -7.643 4.119 1.00 0.00 C ATOM 657 CE1 TYR A 56 -2.085 -7.227 6.246 1.00 0.00 C ATOM 658 CE2 TYR A 56 -4.284 -7.242 5.340 1.00 0.00 C ATOM 659 CZ TYR A 56 -3.440 -7.031 6.412 1.00 0.00 C ATOM 660 OH TYR A 56 -3.945 -6.631 7.631 1.00 0.00 O ATOM 0 H TYR A 56 -0.761 -6.039 0.531 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.733 -6.412 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.636 -8.241 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.510 -9.308 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.516 -7.777 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.448 -7.805 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.415 -7.066 7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.347 -7.092 5.457 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.919 -6.541 7.568 1.00 0.00 H new ATOM 670 N MET A 57 0.828 -9.108 1.869 1.00 0.00 N ATOM 671 CA MET A 57 2.083 -9.869 2.101 1.00 0.00 C ATOM 672 C MET A 57 2.252 -10.992 1.074 1.00 0.00 C ATOM 673 O MET A 57 1.947 -12.136 1.344 1.00 0.00 O ATOM 674 CB MET A 57 2.000 -10.504 3.498 1.00 0.00 C ATOM 675 CG MET A 57 3.358 -11.109 3.860 1.00 0.00 C ATOM 676 SD MET A 57 3.535 -11.815 5.519 1.00 0.00 S ATOM 677 CE MET A 57 4.852 -12.991 5.128 1.00 0.00 C ATOM 0 H MET A 57 0.199 -9.505 1.171 1.00 0.00 H new ATOM 0 HA MET A 57 2.929 -9.188 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.715 -9.753 4.235 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.230 -11.275 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.584 -11.891 3.135 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.116 -10.334 3.740 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.123 -13.546 6.026 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.504 -13.686 4.363 1.00 0.00 H new ATOM 0 HE3 MET A 57 5.724 -12.451 4.759 1.00 0.00 H new ATOM 687 N PRO A 58 2.744 -10.637 -0.094 1.00 0.00 N ATOM 688 CA PRO A 58 2.955 -11.609 -1.159 1.00 0.00 C ATOM 689 C PRO A 58 4.128 -12.522 -0.818 1.00 0.00 C ATOM 690 O PRO A 58 4.374 -12.811 0.336 1.00 0.00 O ATOM 691 CB PRO A 58 3.293 -10.753 -2.403 1.00 0.00 C ATOM 692 CG PRO A 58 3.512 -9.297 -1.910 1.00 0.00 C ATOM 693 CD PRO A 58 3.106 -9.255 -0.423 1.00 0.00 C ATOM 0 HA PRO A 58 2.087 -12.249 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.187 -11.130 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.483 -10.795 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.554 -9.001 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.912 -8.599 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.927 -8.902 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.268 -8.577 -0.261 1.00 0.00 H new ATOM 701 N THR A 59 4.832 -12.960 -1.820 1.00 0.00 N ATOM 702 CA THR A 59 5.977 -13.842 -1.561 1.00 0.00 C ATOM 703 C THR A 59 7.146 -13.029 -1.069 1.00 0.00 C ATOM 704 O THR A 59 8.098 -13.549 -0.523 1.00 0.00 O ATOM 705 CB THR A 59 6.343 -14.500 -2.872 1.00 0.00 C ATOM 706 OG1 THR A 59 5.632 -15.721 -2.891 1.00 0.00 O ATOM 707 CG2 THR A 59 7.814 -14.904 -2.889 1.00 0.00 C ATOM 0 H THR A 59 4.658 -12.741 -2.801 1.00 0.00 H new ATOM 0 HA THR A 59 5.726 -14.586 -0.805 1.00 0.00 H new ATOM 0 HB THR A 59 6.129 -13.821 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.826 -16.200 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.051 -15.375 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.436 -14.019 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.007 -15.607 -2.079 1.00 0.00 H new ATOM 715 N GLU A 60 7.037 -11.770 -1.289 1.00 0.00 N ATOM 716 CA GLU A 60 8.109 -10.824 -0.863 1.00 0.00 C ATOM 717 C GLU A 60 9.359 -10.986 -1.715 1.00 0.00 C ATOM 718 O GLU A 60 10.461 -10.790 -1.243 1.00 0.00 O ATOM 719 CB GLU A 60 8.470 -11.103 0.607 1.00 0.00 C ATOM 720 CG GLU A 60 7.211 -11.528 1.366 1.00 0.00 C ATOM 721 CD GLU A 60 7.244 -10.930 2.775 1.00 0.00 C ATOM 722 OE1 GLU A 60 8.211 -11.218 3.461 1.00 0.00 O ATOM 723 OE2 GLU A 60 6.302 -10.220 3.085 1.00 0.00 O ATOM 0 H GLU A 60 6.241 -11.333 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 60 7.737 -9.807 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.225 -11.887 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.900 -10.211 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.321 -11.190 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.155 -12.615 1.421 1.00 0.00 H new ATOM 730 N MET A 61 9.165 -11.338 -2.957 1.00 0.00 N ATOM 731 CA MET A 61 10.333 -11.517 -3.856 1.00 0.00 C ATOM 732 C MET A 61 9.880 -11.806 -5.277 1.00 0.00 C ATOM 733 O MET A 61 10.669 -11.811 -6.192 1.00 0.00 O ATOM 734 CB MET A 61 11.161 -12.709 -3.354 1.00 0.00 C ATOM 735 CG MET A 61 12.219 -13.062 -4.401 1.00 0.00 C ATOM 736 SD MET A 61 13.662 -13.998 -3.841 1.00 0.00 S ATOM 737 CE MET A 61 14.323 -14.394 -5.480 1.00 0.00 C ATOM 0 H MET A 61 8.254 -11.508 -3.383 1.00 0.00 H new ATOM 0 HA MET A 61 10.924 -10.601 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.639 -12.462 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.513 -13.566 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.733 -13.633 -5.192 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.573 -12.134 -4.849 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.235 -14.981 -5.372 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.586 -14.968 -6.041 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.547 -13.471 -6.015 1.00 0.00 H new ATOM 747 N GLU A 62 8.617 -12.049 -5.439 1.00 0.00 N ATOM 748 CA GLU A 62 8.114 -12.337 -6.799 1.00 0.00 C ATOM 749 C GLU A 62 8.062 -11.071 -7.633 1.00 0.00 C ATOM 750 O GLU A 62 8.634 -11.003 -8.718 1.00 0.00 O ATOM 751 CB GLU A 62 6.696 -12.900 -6.688 1.00 0.00 C ATOM 752 CG GLU A 62 6.411 -13.778 -7.904 1.00 0.00 C ATOM 753 CD GLU A 62 4.954 -14.237 -7.863 1.00 0.00 C ATOM 754 OE1 GLU A 62 4.132 -13.462 -8.319 1.00 0.00 O ATOM 755 OE2 GLU A 62 4.746 -15.336 -7.376 1.00 0.00 O ATOM 0 H GLU A 62 7.918 -12.061 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 62 8.785 -13.051 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.593 -13.481 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.972 -12.087 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.604 -13.222 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.077 -14.641 -7.908 1.00 0.00 H new ATOM 762 N LEU A 63 7.381 -10.081 -7.124 1.00 0.00 N ATOM 763 CA LEU A 63 7.296 -8.831 -7.889 1.00 0.00 C ATOM 764 C LEU A 63 8.691 -8.364 -8.237 1.00 0.00 C ATOM 765 O LEU A 63 8.877 -7.503 -9.072 1.00 0.00 O ATOM 766 CB LEU A 63 6.557 -7.740 -7.059 1.00 0.00 C ATOM 767 CG LEU A 63 6.909 -7.830 -5.557 1.00 0.00 C ATOM 768 CD1 LEU A 63 6.181 -9.020 -4.924 1.00 0.00 C ATOM 769 CD2 LEU A 63 8.417 -7.995 -5.375 1.00 0.00 C ATOM 0 H LEU A 63 6.893 -10.092 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 63 6.733 -9.007 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.823 -6.753 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.480 -7.851 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 63 6.593 -6.909 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.433 -9.079 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.105 -8.889 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.487 -9.940 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.651 -8.057 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.746 -8.907 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.932 -7.139 -5.810 1.00 0.00 H new ATOM 781 N ILE A 64 9.659 -8.953 -7.584 1.00 0.00 N ATOM 782 CA ILE A 64 11.037 -8.580 -7.849 1.00 0.00 C ATOM 783 C ILE A 64 11.484 -9.181 -9.164 1.00 0.00 C ATOM 784 O ILE A 64 11.864 -8.480 -10.062 1.00 0.00 O ATOM 785 CB ILE A 64 11.895 -9.112 -6.675 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.625 -7.965 -6.039 1.00 0.00 C ATOM 787 CG2 ILE A 64 12.953 -10.142 -7.174 1.00 0.00 C ATOM 788 CD1 ILE A 64 11.620 -7.041 -5.352 1.00 0.00 C ATOM 0 H ILE A 64 9.531 -9.678 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 64 11.145 -7.498 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 64 11.230 -9.599 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.348 -8.337 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.186 -7.413 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.541 -10.499 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.447 -10.985 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.612 -9.664 -7.898 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.149 -6.208 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.914 -6.659 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.079 -7.597 -4.586 1.00 0.00 H new ATOM 800 N GLU A 65 11.406 -10.473 -9.257 1.00 0.00 N ATOM 801 CA GLU A 65 11.823 -11.135 -10.504 1.00 0.00 C ATOM 802 C GLU A 65 11.274 -10.400 -11.705 1.00 0.00 C ATOM 803 O GLU A 65 11.925 -10.303 -12.726 1.00 0.00 O ATOM 804 CB GLU A 65 11.274 -12.562 -10.499 1.00 0.00 C ATOM 805 CG GLU A 65 12.063 -13.401 -11.499 1.00 0.00 C ATOM 806 CD GLU A 65 11.458 -14.803 -11.564 1.00 0.00 C ATOM 807 OE1 GLU A 65 11.669 -15.528 -10.606 1.00 0.00 O ATOM 808 OE2 GLU A 65 10.817 -15.069 -12.567 1.00 0.00 O ATOM 0 H GLU A 65 11.071 -11.095 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 65 12.911 -11.138 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.354 -12.993 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.216 -12.559 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.037 -12.935 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.110 -13.457 -11.200 1.00 0.00 H new ATOM 815 N LEU A 66 10.085 -9.895 -11.576 1.00 0.00 N ATOM 816 CA LEU A 66 9.505 -9.166 -12.721 1.00 0.00 C ATOM 817 C LEU A 66 10.126 -7.784 -12.830 1.00 0.00 C ATOM 818 O LEU A 66 10.553 -7.366 -13.897 1.00 0.00 O ATOM 819 CB LEU A 66 7.994 -9.019 -12.502 1.00 0.00 C ATOM 820 CG LEU A 66 7.352 -10.407 -12.492 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.138 -10.390 -11.563 1.00 0.00 C ATOM 822 CD2 LEU A 66 6.897 -10.762 -13.911 1.00 0.00 C ATOM 0 H LEU A 66 9.501 -9.955 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 66 9.704 -9.720 -13.638 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.799 -8.508 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.557 -8.408 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 66 8.074 -11.145 -12.142 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.675 -11.377 -11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.455 -10.126 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.417 -9.655 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.439 -11.751 -13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.171 -10.026 -14.255 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.758 -10.762 -14.580 1.00 0.00 H new ATOM 834 N SER A 67 10.187 -7.103 -11.721 1.00 0.00 N ATOM 835 CA SER A 67 10.773 -5.753 -11.738 1.00 0.00 C ATOM 836 C SER A 67 12.284 -5.810 -11.904 1.00 0.00 C ATOM 837 O SER A 67 12.891 -4.867 -12.369 1.00 0.00 O ATOM 838 CB SER A 67 10.432 -5.064 -10.418 1.00 0.00 C ATOM 839 OG SER A 67 11.364 -5.603 -9.493 1.00 0.00 O ATOM 0 H SER A 67 9.856 -7.428 -10.813 1.00 0.00 H new ATOM 0 HA SER A 67 10.363 -5.198 -12.582 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.530 -3.981 -10.497 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.405 -5.270 -10.115 1.00 0.00 H new ATOM 0 HG SER A 67 11.203 -5.220 -8.606 1.00 0.00 H new ATOM 845 N GLN A 68 12.871 -6.905 -11.520 1.00 0.00 N ATOM 846 CA GLN A 68 14.337 -7.012 -11.665 1.00 0.00 C ATOM 847 C GLN A 68 14.658 -7.290 -13.116 1.00 0.00 C ATOM 848 O GLN A 68 15.684 -6.887 -13.623 1.00 0.00 O ATOM 849 CB GLN A 68 14.868 -8.171 -10.781 1.00 0.00 C ATOM 850 CG GLN A 68 15.034 -9.441 -11.628 1.00 0.00 C ATOM 851 CD GLN A 68 15.390 -10.618 -10.718 1.00 0.00 C ATOM 852 OE1 GLN A 68 15.142 -10.597 -9.529 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.976 -11.665 -11.238 1.00 0.00 N ATOM 0 H GLN A 68 12.404 -7.718 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 68 14.811 -6.083 -11.349 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.823 -7.892 -10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.177 -8.359 -9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.112 -9.652 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.816 -9.294 -12.373 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.187 -11.688 -12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.222 -12.458 -10.646 1.00 0.00 H new ATOM 862 N GLN A 69 13.757 -7.988 -13.764 1.00 0.00 N ATOM 863 CA GLN A 69 13.976 -8.308 -15.181 1.00 0.00 C ATOM 864 C GLN A 69 14.038 -7.023 -15.976 1.00 0.00 C ATOM 865 O GLN A 69 14.876 -6.863 -16.840 1.00 0.00 O ATOM 866 CB GLN A 69 12.797 -9.156 -15.682 1.00 0.00 C ATOM 867 CG GLN A 69 13.100 -10.635 -15.424 1.00 0.00 C ATOM 868 CD GLN A 69 13.984 -11.172 -16.552 1.00 0.00 C ATOM 869 OE1 GLN A 69 13.691 -11.004 -17.718 1.00 0.00 O ATOM 870 NE2 GLN A 69 15.075 -11.824 -16.248 1.00 0.00 N ATOM 0 H GLN A 69 12.888 -8.342 -13.363 1.00 0.00 H new ATOM 0 HA GLN A 69 14.910 -8.858 -15.301 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.880 -8.865 -15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 69 12.636 -8.985 -16.746 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.603 -10.753 -14.464 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.172 -11.205 -15.370 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.327 -11.969 -15.270 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.675 -12.188 -16.988 1.00 0.00 H new ATOM 879 N ILE A 70 13.141 -6.116 -15.671 1.00 0.00 N ATOM 880 CA ILE A 70 13.148 -4.832 -16.408 1.00 0.00 C ATOM 881 C ILE A 70 14.567 -4.287 -16.489 1.00 0.00 C ATOM 882 O ILE A 70 14.969 -3.721 -17.486 1.00 0.00 O ATOM 883 CB ILE A 70 12.297 -3.824 -15.639 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.896 -4.361 -15.435 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.206 -2.529 -16.463 1.00 0.00 C ATOM 886 CD1 ILE A 70 10.039 -3.259 -14.816 1.00 0.00 C ATOM 0 H ILE A 70 12.420 -6.214 -14.956 1.00 0.00 H new ATOM 0 HA ILE A 70 12.756 -4.992 -17.412 1.00 0.00 H new ATOM 0 HB ILE A 70 12.756 -3.639 -14.668 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.471 -4.682 -16.386 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.917 -5.235 -14.784 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.601 -1.798 -15.927 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.207 -2.126 -16.620 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.746 -2.743 -17.428 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.025 -3.629 -14.662 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.466 -2.961 -13.858 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.013 -2.399 -15.485 1.00 0.00 H new ATOM 898 N ASN A 71 15.298 -4.472 -15.423 1.00 0.00 N ATOM 899 CA ASN A 71 16.698 -3.983 -15.383 1.00 0.00 C ATOM 900 C ASN A 71 17.426 -4.259 -16.695 1.00 0.00 C ATOM 901 O ASN A 71 18.288 -3.502 -17.096 1.00 0.00 O ATOM 902 CB ASN A 71 17.426 -4.726 -14.248 1.00 0.00 C ATOM 903 CG ASN A 71 18.726 -3.995 -13.907 1.00 0.00 C ATOM 904 OD1 ASN A 71 19.537 -3.712 -14.766 1.00 0.00 O ATOM 905 ND2 ASN A 71 18.965 -3.677 -12.663 1.00 0.00 N ATOM 0 H ASN A 71 14.980 -4.944 -14.576 1.00 0.00 H new ATOM 0 HA ASN A 71 16.691 -2.905 -15.221 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.786 -4.781 -13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.642 -5.751 -14.550 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.829 -3.194 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.288 -3.912 -11.937 1.00 0.00 H new ATOM 912 N MET A 72 17.067 -5.336 -17.342 1.00 0.00 N ATOM 913 CA MET A 72 17.732 -5.672 -18.627 1.00 0.00 C ATOM 914 C MET A 72 16.921 -5.179 -19.819 1.00 0.00 C ATOM 915 O MET A 72 17.472 -4.855 -20.854 1.00 0.00 O ATOM 916 CB MET A 72 17.863 -7.202 -18.718 1.00 0.00 C ATOM 917 CG MET A 72 18.913 -7.678 -17.710 1.00 0.00 C ATOM 918 SD MET A 72 19.447 -9.405 -17.820 1.00 0.00 S ATOM 919 CE MET A 72 20.942 -9.124 -18.804 1.00 0.00 C ATOM 0 H MET A 72 16.347 -5.991 -17.036 1.00 0.00 H new ATOM 0 HA MET A 72 18.708 -5.187 -18.653 1.00 0.00 H new ATOM 0 HB2 MET A 72 16.903 -7.674 -18.511 1.00 0.00 H new ATOM 0 HB3 MET A 72 18.151 -7.495 -19.727 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.794 -7.045 -17.816 1.00 0.00 H new ATOM 0 HG3 MET A 72 18.519 -7.510 -16.708 1.00 0.00 H new ATOM 0 HE1 MET A 72 21.438 -10.076 -18.992 1.00 0.00 H new ATOM 0 HE2 MET A 72 20.671 -8.662 -19.753 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.618 -8.465 -18.259 1.00 0.00 H new ATOM 929 N ASN A 73 15.629 -5.129 -19.661 1.00 0.00 N ATOM 930 CA ASN A 73 14.783 -4.659 -20.783 1.00 0.00 C ATOM 931 C ASN A 73 14.923 -3.158 -20.977 1.00 0.00 C ATOM 932 O ASN A 73 15.124 -2.696 -22.083 1.00 0.00 O ATOM 933 CB ASN A 73 13.318 -4.979 -20.460 1.00 0.00 C ATOM 934 CG ASN A 73 13.140 -6.495 -20.372 1.00 0.00 C ATOM 935 OD1 ASN A 73 13.534 -7.123 -19.409 1.00 0.00 O ATOM 936 ND2 ASN A 73 12.550 -7.119 -21.355 1.00 0.00 N ATOM 0 H ASN A 73 15.129 -5.391 -18.811 1.00 0.00 H new ATOM 0 HA ASN A 73 15.101 -5.161 -21.697 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.031 -4.512 -19.518 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.666 -4.569 -21.231 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.421 -8.130 -21.313 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.218 -6.596 -22.165 1.00 0.00 H new ATOM 943 N LEU A 74 14.811 -2.424 -19.893 1.00 0.00 N ATOM 944 CA LEU A 74 14.932 -0.949 -19.983 1.00 0.00 C ATOM 945 C LEU A 74 15.945 -0.429 -18.963 1.00 0.00 C ATOM 946 O LEU A 74 16.839 0.319 -19.306 1.00 0.00 O ATOM 947 CB LEU A 74 13.533 -0.336 -19.709 1.00 0.00 C ATOM 948 CG LEU A 74 13.651 0.858 -18.756 1.00 0.00 C ATOM 949 CD1 LEU A 74 14.622 1.887 -19.353 1.00 0.00 C ATOM 950 CD2 LEU A 74 12.274 1.506 -18.584 1.00 0.00 C ATOM 0 H LEU A 74 14.641 -2.790 -18.956 1.00 0.00 H new ATOM 0 HA LEU A 74 15.283 -0.664 -20.975 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.078 -0.017 -20.647 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.876 -1.091 -19.277 1.00 0.00 H new ATOM 0 HG LEU A 74 14.021 0.520 -17.788 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.709 2.739 -18.679 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.602 1.428 -19.487 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.245 2.226 -20.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.354 2.356 -17.906 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.909 1.847 -19.553 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.578 0.777 -18.170 1.00 0.00 H new ATOM 962 N GLY A 75 15.793 -0.831 -17.732 1.00 0.00 N ATOM 963 CA GLY A 75 16.753 -0.352 -16.698 1.00 0.00 C ATOM 964 C GLY A 75 16.173 -0.491 -15.283 1.00 0.00 C ATOM 965 O GLY A 75 16.880 -0.311 -14.312 1.00 0.00 O ATOM 0 H GLY A 75 15.060 -1.459 -17.401 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.680 -0.921 -16.770 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.004 0.692 -16.889 1.00 0.00 H new ATOM 969 N GLY A 76 14.901 -0.804 -15.193 1.00 0.00 N ATOM 970 CA GLY A 76 14.278 -0.954 -13.841 1.00 0.00 C ATOM 971 C GLY A 76 13.438 0.275 -13.485 1.00 0.00 C ATOM 972 O GLY A 76 13.494 0.768 -12.376 1.00 0.00 O ATOM 0 H GLY A 76 14.277 -0.960 -15.985 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.651 -1.845 -13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.057 -1.096 -13.092 1.00 0.00 H new ATOM 976 N HIS A 77 12.679 0.744 -14.439 1.00 0.00 N ATOM 977 CA HIS A 77 11.827 1.934 -14.187 1.00 0.00 C ATOM 978 C HIS A 77 10.479 1.745 -14.843 1.00 0.00 C ATOM 979 O HIS A 77 10.391 1.635 -16.051 1.00 0.00 O ATOM 980 CB HIS A 77 12.507 3.163 -14.795 1.00 0.00 C ATOM 981 CG HIS A 77 13.465 3.768 -13.768 1.00 0.00 C ATOM 982 ND1 HIS A 77 14.631 4.137 -14.011 1.00 0.00 N ATOM 983 CD2 HIS A 77 13.270 4.022 -12.423 1.00 0.00 C ATOM 984 CE1 HIS A 77 15.199 4.597 -12.975 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.406 4.565 -11.903 1.00 0.00 N ATOM 0 H HIS A 77 12.614 0.353 -15.379 1.00 0.00 H new ATOM 0 HA HIS A 77 11.692 2.066 -13.114 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.051 2.883 -15.697 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.759 3.899 -15.090 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.362 3.822 -11.873 1.00 0.00 H new ATOM 0 HE1 HIS A 77 16.211 4.973 -12.962 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.599 4.867 -10.948 1.00 0.00 H new ATOM 993 N VAL A 78 9.447 1.715 -14.036 1.00 0.00 N ATOM 994 CA VAL A 78 8.084 1.530 -14.593 1.00 0.00 C ATOM 995 C VAL A 78 7.229 2.777 -14.452 1.00 0.00 C ATOM 996 O VAL A 78 7.251 3.457 -13.438 1.00 0.00 O ATOM 997 CB VAL A 78 7.401 0.354 -13.830 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.315 -0.113 -12.718 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.056 0.800 -13.213 1.00 0.00 C ATOM 0 H VAL A 78 9.495 1.811 -13.022 1.00 0.00 H new ATOM 0 HA VAL A 78 8.176 1.317 -15.658 1.00 0.00 H new ATOM 0 HB VAL A 78 7.212 -0.453 -14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.843 -0.935 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.260 -0.452 -13.142 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.501 0.711 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.601 -0.039 -12.687 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.230 1.616 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.387 1.138 -14.004 1.00 0.00 H new ATOM 1009 N ASP A 79 6.506 3.049 -15.490 1.00 0.00 N ATOM 1010 CA ASP A 79 5.621 4.223 -15.496 1.00 0.00 C ATOM 1011 C ASP A 79 4.236 3.720 -15.182 1.00 0.00 C ATOM 1012 O ASP A 79 4.002 2.532 -15.281 1.00 0.00 O ATOM 1013 CB ASP A 79 5.634 4.853 -16.900 1.00 0.00 C ATOM 1014 CG ASP A 79 4.589 5.968 -16.965 1.00 0.00 C ATOM 1015 OD1 ASP A 79 4.477 6.665 -15.969 1.00 0.00 O ATOM 1016 OD2 ASP A 79 3.964 6.063 -18.007 1.00 0.00 O ATOM 0 H ASP A 79 6.493 2.496 -16.347 1.00 0.00 H new ATOM 0 HA ASP A 79 5.941 4.972 -14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.623 5.253 -17.122 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.420 4.095 -17.653 1.00 0.00 H new ATOM 1021 N PHE A 80 3.340 4.575 -14.783 1.00 0.00 N ATOM 1022 CA PHE A 80 1.989 4.053 -14.480 1.00 0.00 C ATOM 1023 C PHE A 80 1.530 3.086 -15.566 1.00 0.00 C ATOM 1024 O PHE A 80 0.613 2.313 -15.368 1.00 0.00 O ATOM 1025 CB PHE A 80 0.978 5.195 -14.373 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.332 4.600 -13.846 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.350 3.905 -12.643 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.496 4.685 -14.586 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.504 3.309 -12.199 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.654 4.085 -14.134 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.657 3.396 -12.942 1.00 0.00 C ATOM 0 H PHE A 80 3.478 5.578 -14.658 1.00 0.00 H new ATOM 0 HA PHE A 80 2.044 3.529 -13.526 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.345 5.971 -13.701 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.823 5.663 -15.345 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.551 3.833 -12.052 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.500 5.223 -15.522 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.506 2.770 -11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.560 4.156 -14.717 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.563 2.925 -12.592 1.00 0.00 H new ATOM 1041 N ASP A 81 2.181 3.145 -16.699 1.00 0.00 N ATOM 1042 CA ASP A 81 1.796 2.237 -17.801 1.00 0.00 C ATOM 1043 C ASP A 81 2.337 0.842 -17.526 1.00 0.00 C ATOM 1044 O ASP A 81 1.611 -0.130 -17.596 1.00 0.00 O ATOM 1045 CB ASP A 81 2.401 2.765 -19.113 1.00 0.00 C ATOM 1046 CG ASP A 81 1.573 2.251 -20.293 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.524 2.833 -20.512 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.038 1.306 -20.908 1.00 0.00 O ATOM 0 H ASP A 81 2.954 3.779 -16.901 1.00 0.00 H new ATOM 0 HA ASP A 81 0.710 2.194 -17.880 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.413 3.855 -19.109 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.436 2.436 -19.209 1.00 0.00 H new ATOM 1053 N ASP A 82 3.610 0.759 -17.214 1.00 0.00 N ATOM 1054 CA ASP A 82 4.192 -0.566 -16.935 1.00 0.00 C ATOM 1055 C ASP A 82 3.589 -1.088 -15.648 1.00 0.00 C ATOM 1056 O ASP A 82 3.209 -2.230 -15.548 1.00 0.00 O ATOM 1057 CB ASP A 82 5.707 -0.401 -16.756 1.00 0.00 C ATOM 1058 CG ASP A 82 6.331 -0.002 -18.095 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.772 -0.415 -19.097 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.332 0.693 -18.040 1.00 0.00 O ATOM 0 H ASP A 82 4.253 1.548 -17.144 1.00 0.00 H new ATOM 0 HA ASP A 82 3.988 -1.260 -17.750 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.916 0.359 -16.003 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.147 -1.332 -16.399 1.00 0.00 H new ATOM 1065 N PHE A 83 3.507 -0.214 -14.690 1.00 0.00 N ATOM 1066 CA PHE A 83 2.937 -0.586 -13.382 1.00 0.00 C ATOM 1067 C PHE A 83 1.605 -1.286 -13.584 1.00 0.00 C ATOM 1068 O PHE A 83 1.322 -2.292 -12.960 1.00 0.00 O ATOM 1069 CB PHE A 83 2.725 0.730 -12.637 1.00 0.00 C ATOM 1070 CG PHE A 83 2.062 0.534 -11.276 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.769 0.005 -10.210 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.799 1.058 -11.048 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.226 0.018 -8.939 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.264 1.068 -9.781 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.974 0.554 -8.729 1.00 0.00 C ATOM 0 H PHE A 83 3.817 0.755 -14.764 1.00 0.00 H new ATOM 0 HA PHE A 83 3.590 -1.263 -12.830 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.687 1.225 -12.501 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.109 1.392 -13.245 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.749 -0.420 -10.372 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.230 1.462 -11.872 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.783 -0.392 -8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.719 1.483 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.553 0.569 -7.735 1.00 0.00 H new ATOM 1085 N VAL A 84 0.807 -0.742 -14.467 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.508 -1.357 -14.731 1.00 0.00 C ATOM 1087 C VAL A 84 -0.314 -2.668 -15.482 1.00 0.00 C ATOM 1088 O VAL A 84 -0.988 -3.648 -15.223 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.326 -0.376 -15.598 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.263 -1.157 -16.519 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.157 0.525 -14.685 1.00 0.00 C ATOM 0 H VAL A 84 1.016 0.097 -15.009 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.030 -1.562 -13.796 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.647 0.227 -16.201 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.838 -0.460 -17.129 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.677 -1.808 -17.167 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.944 -1.761 -15.919 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.738 1.221 -15.291 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.833 -0.087 -14.087 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.494 1.085 -14.025 1.00 0.00 H new ATOM 1101 N GLU A 85 0.617 -2.662 -16.397 1.00 0.00 N ATOM 1102 CA GLU A 85 0.879 -3.890 -17.178 1.00 0.00 C ATOM 1103 C GLU A 85 1.548 -4.942 -16.302 1.00 0.00 C ATOM 1104 O GLU A 85 1.267 -6.118 -16.414 1.00 0.00 O ATOM 1105 CB GLU A 85 1.825 -3.530 -18.340 1.00 0.00 C ATOM 1106 CG GLU A 85 1.210 -3.999 -19.661 1.00 0.00 C ATOM 1107 CD GLU A 85 1.448 -5.501 -19.823 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.554 -5.909 -19.510 1.00 0.00 O ATOM 1109 OE2 GLU A 85 0.511 -6.154 -20.249 1.00 0.00 O ATOM 0 H GLU A 85 1.202 -1.860 -16.632 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.062 -4.292 -17.553 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.993 -2.453 -18.366 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.797 -4.001 -18.191 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.141 -3.785 -19.674 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.654 -3.456 -20.495 1.00 0.00 H new ATOM 1116 N LEU A 86 2.425 -4.497 -15.441 1.00 0.00 N ATOM 1117 CA LEU A 86 3.120 -5.453 -14.550 1.00 0.00 C ATOM 1118 C LEU A 86 2.118 -6.126 -13.627 1.00 0.00 C ATOM 1119 O LEU A 86 2.298 -7.259 -13.227 1.00 0.00 O ATOM 1120 CB LEU A 86 4.146 -4.669 -13.703 1.00 0.00 C ATOM 1121 CG LEU A 86 5.430 -5.491 -13.553 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.112 -6.776 -12.783 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.984 -5.837 -14.944 1.00 0.00 C ATOM 0 H LEU A 86 2.685 -3.518 -15.321 1.00 0.00 H new ATOM 0 HA LEU A 86 3.620 -6.217 -15.146 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.368 -3.713 -14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.728 -4.448 -12.721 1.00 0.00 H new ATOM 0 HG LEU A 86 6.178 -4.915 -13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.021 -7.368 -12.671 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.721 -6.522 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.368 -7.354 -13.331 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.898 -6.422 -14.837 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.245 -6.417 -15.496 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.203 -4.918 -15.487 1.00 0.00 H new ATOM 1135 N MET A 87 1.074 -5.411 -13.302 1.00 0.00 N ATOM 1136 CA MET A 87 0.047 -5.991 -12.408 1.00 0.00 C ATOM 1137 C MET A 87 -1.047 -6.666 -13.224 1.00 0.00 C ATOM 1138 O MET A 87 -1.897 -7.350 -12.687 1.00 0.00 O ATOM 1139 CB MET A 87 -0.572 -4.854 -11.583 1.00 0.00 C ATOM 1140 CG MET A 87 -0.035 -4.929 -10.154 1.00 0.00 C ATOM 1141 SD MET A 87 -0.616 -3.682 -8.983 1.00 0.00 S ATOM 1142 CE MET A 87 0.895 -2.690 -8.947 1.00 0.00 C ATOM 0 H MET A 87 0.894 -4.458 -13.617 1.00 0.00 H new ATOM 0 HA MET A 87 0.508 -6.734 -11.758 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.327 -3.889 -12.027 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.659 -4.938 -11.582 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.283 -5.911 -9.752 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.052 -4.869 -10.199 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.899 -2.065 -8.054 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.763 -3.349 -8.933 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.935 -2.056 -9.833 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.005 -6.454 -14.517 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.031 -7.071 -15.408 1.00 0.00 C ATOM 1154 C GLY A 88 -2.357 -8.505 -14.968 1.00 0.00 C ATOM 1155 O GLY A 88 -3.495 -8.847 -14.724 1.00 0.00 O ATOM 0 H GLY A 88 -0.306 -5.882 -14.991 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.939 -6.468 -15.394 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.668 -7.077 -16.436 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.336 -9.313 -14.891 1.00 0.00 N ATOM 1160 CA PRO A 89 -1.483 -10.707 -14.487 1.00 0.00 C ATOM 1161 C PRO A 89 -1.863 -10.832 -13.007 1.00 0.00 C ATOM 1162 O PRO A 89 -1.595 -11.840 -12.382 1.00 0.00 O ATOM 1163 CB PRO A 89 -0.085 -11.329 -14.717 1.00 0.00 C ATOM 1164 CG PRO A 89 0.860 -10.182 -15.194 1.00 0.00 C ATOM 1165 CD PRO A 89 0.027 -8.893 -15.229 1.00 0.00 C ATOM 0 HA PRO A 89 -2.274 -11.201 -15.051 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.291 -11.780 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.135 -12.121 -15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.707 -10.074 -14.516 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.267 -10.404 -16.180 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.403 -8.161 -14.515 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.064 -8.426 -16.213 1.00 0.00 H new ATOM 1173 N LYS A 90 -2.488 -9.811 -12.471 1.00 0.00 N ATOM 1174 CA LYS A 90 -2.879 -9.878 -11.037 1.00 0.00 C ATOM 1175 C LYS A 90 -4.094 -9.002 -10.735 1.00 0.00 C ATOM 1176 O LYS A 90 -4.124 -8.317 -9.730 1.00 0.00 O ATOM 1177 CB LYS A 90 -1.699 -9.370 -10.193 1.00 0.00 C ATOM 1178 CG LYS A 90 -0.549 -10.374 -10.273 1.00 0.00 C ATOM 1179 CD LYS A 90 0.526 -9.983 -9.256 1.00 0.00 C ATOM 1180 CE LYS A 90 0.257 -10.707 -7.933 1.00 0.00 C ATOM 1181 NZ LYS A 90 0.136 -12.177 -8.154 1.00 0.00 N ATOM 0 H LYS A 90 -2.739 -8.951 -12.958 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.135 -10.911 -10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.371 -8.395 -10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.009 -9.237 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.913 -11.381 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.129 -10.386 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.514 -10.247 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.521 -8.904 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.066 -10.505 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.659 -10.325 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.625 -12.684 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.869 -12.445 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.568 -12.428 -9.066 1.00 0.00 H new ATOM 1195 N LEU A 91 -5.077 -9.036 -11.597 1.00 0.00 N ATOM 1196 CA LEU A 91 -6.283 -8.201 -11.347 1.00 0.00 C ATOM 1197 C LEU A 91 -7.383 -8.497 -12.364 1.00 0.00 C ATOM 1198 O LEU A 91 -8.524 -8.749 -12.034 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.873 -6.709 -11.442 1.00 0.00 C ATOM 1200 CG LEU A 91 -6.072 -6.186 -12.873 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -5.593 -4.735 -12.936 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -5.239 -7.020 -13.849 1.00 0.00 C ATOM 0 H LEU A 91 -5.096 -9.597 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.675 -8.431 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.468 -6.117 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.830 -6.593 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.126 -6.254 -13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.728 -4.351 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.171 -4.130 -12.237 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.537 -4.688 -12.669 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.383 -6.646 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.185 -6.947 -13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.555 -8.062 -13.799 1.00 0.00 H new