USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 44 TYR OH : rot 180:sc= 0.597 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -169:sc= 0.875 (180deg=-0.0769) USER MOD Set 2.1: A 10 TYR OH : rot -84:sc= 0.424 USER MOD Set 2.2: A 45 HIS : no HD1:sc= 0.228 K(o=0.65,f=-0.41) USER MOD Single : A 1 GLU N :NH3+ 169:sc= -0.0413 (180deg=-0.307) USER MOD Single : A 8 THR OG1 : rot -70:sc= -0.0294 USER MOD Single : A 14 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.42) USER MOD Single : A 16 HIS : no HD1:sc= -0.808 X(o=-0.81,f=-0.39) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -83:sc= 1.47 USER MOD Single : A 39 TYR OH : rot -28:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot 140:sc= -0.569 USER MOD Single : A 43 TYR OH : rot -142:sc= -0.0125 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 71:sc= 0.969 USER MOD Single : A 63 TYR OH : rot -159:sc= 0.244 USER MOD Single : A 65 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 75 THR OG1 : rot -51:sc= 0.316 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -117:sc= 0.885 (180deg=-0.356) USER MOD Single : A 94 HIS : no HD1:sc=-0.00128 X(o=-0.0013,f=-0.0013) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.051 -0.212 18.487 1.00 0.00 N ATOM 2 CA GLU A 1 -12.718 -0.299 17.045 1.00 0.00 C ATOM 3 C GLU A 1 -12.860 -1.754 16.562 1.00 0.00 C ATOM 4 O GLU A 1 -12.684 -2.697 17.343 1.00 0.00 O ATOM 5 CB GLU A 1 -11.281 0.254 16.755 1.00 0.00 C ATOM 6 CG GLU A 1 -10.095 -0.605 17.267 1.00 0.00 C ATOM 7 CD GLU A 1 -10.016 -0.719 18.800 1.00 0.00 C ATOM 8 OE1 GLU A 1 -9.406 0.157 19.437 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.594 -1.669 19.371 1.00 0.00 O ATOM 0 H1 GLU A 1 -12.777 0.723 18.851 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.074 -0.348 18.616 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.536 -0.950 19.007 1.00 0.00 H new ATOM 0 HA GLU A 1 -13.420 0.325 16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -11.173 0.377 15.677 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -11.201 1.246 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.176 -1.606 16.843 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -9.164 -0.176 16.897 1.00 0.00 H new ATOM 18 N ASP A 2 -13.189 -1.921 15.278 1.00 0.00 N ATOM 19 CA ASP A 2 -13.368 -3.234 14.632 1.00 0.00 C ATOM 20 C ASP A 2 -12.443 -3.323 13.415 1.00 0.00 C ATOM 21 O ASP A 2 -12.084 -2.282 12.864 1.00 0.00 O ATOM 22 CB ASP A 2 -14.843 -3.424 14.180 1.00 0.00 C ATOM 23 CG ASP A 2 -15.850 -3.328 15.333 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.755 -4.131 16.283 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.736 -2.455 15.300 1.00 0.00 O ATOM 0 H ASP A 2 -13.342 -1.137 14.643 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.121 -4.019 15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.086 -2.670 13.431 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.945 -4.396 13.698 1.00 0.00 H new ATOM 30 N PRO A 3 -12.033 -4.562 12.967 1.00 0.00 N ATOM 31 CA PRO A 3 -11.305 -4.769 11.675 1.00 0.00 C ATOM 32 C PRO A 3 -12.039 -4.189 10.427 1.00 0.00 C ATOM 33 O PRO A 3 -11.484 -4.163 9.337 1.00 0.00 O ATOM 34 CB PRO A 3 -11.174 -6.313 11.589 1.00 0.00 C ATOM 35 CG PRO A 3 -11.209 -6.776 13.014 1.00 0.00 C ATOM 36 CD PRO A 3 -12.183 -5.852 13.708 1.00 0.00 C ATOM 0 HA PRO A 3 -10.352 -4.240 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.989 -6.748 11.011 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.245 -6.605 11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.534 -7.814 13.083 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.221 -6.721 13.470 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.204 -6.230 13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.943 -5.737 14.765 1.00 0.00 H new ATOM 44 N GLU A 4 -13.300 -3.769 10.604 1.00 0.00 N ATOM 45 CA GLU A 4 -14.065 -3.010 9.599 1.00 0.00 C ATOM 46 C GLU A 4 -13.433 -1.615 9.356 1.00 0.00 C ATOM 47 O GLU A 4 -13.338 -1.153 8.210 1.00 0.00 O ATOM 48 CB GLU A 4 -15.527 -2.869 10.083 1.00 0.00 C ATOM 49 CG GLU A 4 -16.239 -4.214 10.325 1.00 0.00 C ATOM 50 CD GLU A 4 -17.637 -4.045 10.929 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.576 -3.704 10.179 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.800 -4.232 12.154 1.00 0.00 O ATOM 0 H GLU A 4 -13.826 -3.948 11.460 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.044 -3.548 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.539 -2.292 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.090 -2.299 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.319 -4.753 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.632 -4.827 10.991 1.00 0.00 H new ATOM 59 N ASP A 5 -12.990 -0.977 10.462 1.00 0.00 N ATOM 60 CA ASP A 5 -12.360 0.363 10.442 1.00 0.00 C ATOM 61 C ASP A 5 -11.021 0.334 9.681 1.00 0.00 C ATOM 62 O ASP A 5 -10.221 -0.588 9.910 1.00 0.00 O ATOM 63 CB ASP A 5 -12.110 0.910 11.874 1.00 0.00 C ATOM 64 CG ASP A 5 -13.389 1.113 12.687 1.00 0.00 C ATOM 65 OD1 ASP A 5 -14.363 1.680 12.150 1.00 0.00 O ATOM 66 OD2 ASP A 5 -13.415 0.749 13.874 1.00 0.00 O ATOM 0 H ASP A 5 -13.059 -1.378 11.397 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.060 1.024 9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.456 0.220 12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.581 1.860 11.803 1.00 0.00 H new ATOM 71 N PRO A 6 -10.770 1.352 8.776 1.00 0.00 N ATOM 72 CA PRO A 6 -9.550 1.450 7.949 1.00 0.00 C ATOM 73 C PRO A 6 -8.240 1.177 8.722 1.00 0.00 C ATOM 74 O PRO A 6 -7.486 0.273 8.358 1.00 0.00 O ATOM 75 CB PRO A 6 -9.576 2.906 7.416 1.00 0.00 C ATOM 76 CG PRO A 6 -11.023 3.294 7.402 1.00 0.00 C ATOM 77 CD PRO A 6 -11.714 2.469 8.469 1.00 0.00 C ATOM 0 HA PRO A 6 -9.555 0.690 7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.996 3.570 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.142 2.968 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.139 4.359 7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.463 3.105 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.919 3.067 9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.672 2.088 8.113 1.00 0.00 H new ATOM 85 N PHE A 7 -8.004 1.956 9.789 1.00 0.00 N ATOM 86 CA PHE A 7 -6.770 1.872 10.586 1.00 0.00 C ATOM 87 C PHE A 7 -6.614 0.505 11.279 1.00 0.00 C ATOM 88 O PHE A 7 -5.499 -0.002 11.366 1.00 0.00 O ATOM 89 CB PHE A 7 -6.702 3.013 11.634 1.00 0.00 C ATOM 90 CG PHE A 7 -5.476 2.934 12.562 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.184 3.119 12.057 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.615 2.645 13.922 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.078 3.017 12.880 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.507 2.551 14.742 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.239 2.732 14.222 1.00 0.00 C ATOM 0 H PHE A 7 -8.662 2.660 10.123 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.941 1.985 9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.691 3.971 11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.607 2.990 12.241 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.049 3.345 11.009 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.600 2.493 14.337 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.088 3.160 12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.632 2.335 15.793 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.375 2.651 14.865 1.00 0.00 H new ATOM 105 N THR A 8 -7.719 -0.068 11.790 1.00 0.00 N ATOM 106 CA THR A 8 -7.664 -1.311 12.582 1.00 0.00 C ATOM 107 C THR A 8 -7.182 -2.507 11.732 1.00 0.00 C ATOM 108 O THR A 8 -6.279 -3.235 12.150 1.00 0.00 O ATOM 109 CB THR A 8 -9.040 -1.635 13.229 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.543 -0.458 13.881 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.948 -2.787 14.258 1.00 0.00 C ATOM 0 H THR A 8 -8.659 0.309 11.669 1.00 0.00 H new ATOM 0 HA THR A 8 -6.939 -1.145 13.379 1.00 0.00 H new ATOM 0 HB THR A 8 -9.713 -1.956 12.434 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.001 -0.267 14.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.934 -2.976 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.587 -3.689 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.258 -2.509 15.055 1.00 0.00 H new ATOM 119 N ARG A 9 -7.771 -2.673 10.525 1.00 0.00 N ATOM 120 CA ARG A 9 -7.390 -3.758 9.583 1.00 0.00 C ATOM 121 C ARG A 9 -6.000 -3.488 8.971 1.00 0.00 C ATOM 122 O ARG A 9 -5.305 -4.414 8.579 1.00 0.00 O ATOM 123 CB ARG A 9 -8.458 -3.908 8.460 1.00 0.00 C ATOM 124 CG ARG A 9 -8.509 -2.733 7.445 1.00 0.00 C ATOM 125 CD ARG A 9 -9.924 -2.225 7.114 1.00 0.00 C ATOM 126 NE ARG A 9 -10.747 -3.198 6.389 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.692 -2.872 5.492 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.852 -1.616 5.081 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.454 -3.811 4.979 1.00 0.00 N ATOM 0 H ARG A 9 -8.515 -2.068 10.177 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.342 -4.692 10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.264 -4.832 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.439 -4.012 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.924 -1.903 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.026 -3.049 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.429 -1.955 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.844 -1.316 6.518 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.592 -4.188 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.250 -0.879 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.576 -1.391 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.327 -4.783 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.173 -3.569 4.297 1.00 0.00 H new ATOM 143 N TYR A 10 -5.637 -2.196 8.887 1.00 0.00 N ATOM 144 CA TYR A 10 -4.331 -1.731 8.384 1.00 0.00 C ATOM 145 C TYR A 10 -3.197 -2.116 9.349 1.00 0.00 C ATOM 146 O TYR A 10 -2.159 -2.645 8.934 1.00 0.00 O ATOM 147 CB TYR A 10 -4.401 -0.196 8.195 1.00 0.00 C ATOM 148 CG TYR A 10 -3.093 0.494 7.806 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.482 0.244 6.580 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.474 1.408 8.662 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.308 0.874 6.226 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.307 2.044 8.306 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.728 1.773 7.090 1.00 0.00 C ATOM 154 OH TYR A 10 0.436 2.412 6.738 1.00 0.00 O ATOM 0 H TYR A 10 -6.252 -1.433 9.171 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.113 -2.211 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.145 0.022 7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.760 0.248 9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.936 -0.456 5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.920 1.620 9.622 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.845 0.662 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.848 2.753 8.979 1.00 0.00 H new ATOM 0 HH TYR A 10 1.201 1.835 6.944 1.00 0.00 H new ATOM 164 N ALA A 11 -3.436 -1.847 10.636 1.00 0.00 N ATOM 165 CA ALA A 11 -2.498 -2.143 11.723 1.00 0.00 C ATOM 166 C ALA A 11 -2.409 -3.662 11.924 1.00 0.00 C ATOM 167 O ALA A 11 -1.331 -4.210 12.168 1.00 0.00 O ATOM 168 CB ALA A 11 -2.949 -1.429 13.012 1.00 0.00 C ATOM 0 H ALA A 11 -4.300 -1.411 10.957 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.505 -1.775 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.248 -1.653 13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.974 -0.353 12.842 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.944 -1.776 13.291 1.00 0.00 H new ATOM 174 N LEU A 12 -3.566 -4.325 11.766 1.00 0.00 N ATOM 175 CA LEU A 12 -3.690 -5.787 11.852 1.00 0.00 C ATOM 176 C LEU A 12 -2.967 -6.456 10.674 1.00 0.00 C ATOM 177 O LEU A 12 -2.377 -7.518 10.836 1.00 0.00 O ATOM 178 CB LEU A 12 -5.188 -6.188 11.895 1.00 0.00 C ATOM 179 CG LEU A 12 -5.523 -7.715 11.977 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.734 -8.423 13.108 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.049 -7.931 12.142 1.00 0.00 C ATOM 0 H LEU A 12 -4.450 -3.855 11.573 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.217 -6.133 12.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.644 -5.697 12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.670 -5.785 11.005 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.209 -8.170 11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.997 -9.480 13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.664 -8.319 12.926 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.985 -7.968 14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.261 -8.999 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.388 -7.446 13.057 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.572 -7.501 11.288 1.00 0.00 H new ATOM 193 N ALA A 13 -3.002 -5.807 9.500 1.00 0.00 N ATOM 194 CA ALA A 13 -2.304 -6.281 8.292 1.00 0.00 C ATOM 195 C ALA A 13 -0.784 -6.272 8.519 1.00 0.00 C ATOM 196 O ALA A 13 -0.087 -7.204 8.129 1.00 0.00 O ATOM 197 CB ALA A 13 -2.689 -5.430 7.074 1.00 0.00 C ATOM 0 H ALA A 13 -3.516 -4.937 9.360 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.612 -7.307 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.163 -5.797 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.764 -5.497 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.414 -4.391 7.255 1.00 0.00 H new ATOM 203 N GLN A 14 -0.295 -5.218 9.191 1.00 0.00 N ATOM 204 CA GLN A 14 1.123 -5.102 9.592 1.00 0.00 C ATOM 205 C GLN A 14 1.506 -6.200 10.604 1.00 0.00 C ATOM 206 O GLN A 14 2.640 -6.705 10.583 1.00 0.00 O ATOM 207 CB GLN A 14 1.393 -3.698 10.179 1.00 0.00 C ATOM 208 CG GLN A 14 1.112 -2.539 9.199 1.00 0.00 C ATOM 209 CD GLN A 14 1.336 -1.161 9.814 1.00 0.00 C ATOM 210 OE1 GLN A 14 2.172 -0.986 10.688 1.00 0.00 O ATOM 211 NE2 GLN A 14 0.588 -0.178 9.364 1.00 0.00 N ATOM 0 H GLN A 14 -0.867 -4.422 9.473 1.00 0.00 H new ATOM 0 HA GLN A 14 1.744 -5.238 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.778 -3.564 11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.433 -3.644 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.754 -2.648 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.082 -2.610 8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.102 -0.355 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.697 0.762 9.745 1.00 0.00 H new ATOM 220 N GLU A 15 0.545 -6.563 11.481 1.00 0.00 N ATOM 221 CA GLU A 15 0.707 -7.679 12.433 1.00 0.00 C ATOM 222 C GLU A 15 0.815 -9.024 11.685 1.00 0.00 C ATOM 223 O GLU A 15 1.599 -9.885 12.073 1.00 0.00 O ATOM 224 CB GLU A 15 -0.454 -7.712 13.461 1.00 0.00 C ATOM 225 CG GLU A 15 -0.501 -6.495 14.400 1.00 0.00 C ATOM 226 CD GLU A 15 -1.645 -6.560 15.429 1.00 0.00 C ATOM 227 OE1 GLU A 15 -2.767 -6.098 15.129 1.00 0.00 O ATOM 228 OE2 GLU A 15 -1.428 -7.073 16.550 1.00 0.00 O ATOM 0 H GLU A 15 -0.358 -6.093 11.548 1.00 0.00 H new ATOM 0 HA GLU A 15 1.634 -7.518 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.399 -7.778 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.366 -8.617 14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.449 -6.416 14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.610 -5.589 13.804 1.00 0.00 H new ATOM 235 N HIS A 16 0.013 -9.193 10.615 1.00 0.00 N ATOM 236 CA HIS A 16 0.105 -10.372 9.731 1.00 0.00 C ATOM 237 C HIS A 16 1.486 -10.442 9.044 1.00 0.00 C ATOM 238 O HIS A 16 2.071 -11.512 8.978 1.00 0.00 O ATOM 239 CB HIS A 16 -1.027 -10.404 8.670 1.00 0.00 C ATOM 240 CG HIS A 16 -2.408 -10.623 9.230 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.804 -11.799 9.831 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.480 -9.806 9.292 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.052 -11.682 10.239 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.479 -10.485 9.925 1.00 0.00 N ATOM 0 H HIS A 16 -0.708 -8.525 10.342 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.018 -11.250 10.366 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.018 -9.463 8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.811 -11.195 7.952 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.537 -8.797 8.910 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.625 -12.444 10.746 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.410 -10.119 10.122 1.00 0.00 H new ATOM 253 N LEU A 17 2.008 -9.291 8.569 1.00 0.00 N ATOM 254 CA LEU A 17 3.332 -9.215 7.899 1.00 0.00 C ATOM 255 C LEU A 17 4.468 -9.726 8.817 1.00 0.00 C ATOM 256 O LEU A 17 5.303 -10.530 8.389 1.00 0.00 O ATOM 257 CB LEU A 17 3.638 -7.758 7.450 1.00 0.00 C ATOM 258 CG LEU A 17 2.717 -7.158 6.344 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.943 -5.635 6.180 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.914 -7.896 5.001 1.00 0.00 C ATOM 0 H LEU A 17 1.531 -8.392 8.636 1.00 0.00 H new ATOM 0 HA LEU A 17 3.286 -9.860 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.582 -7.113 8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.667 -7.721 7.093 1.00 0.00 H new ATOM 0 HG LEU A 17 1.684 -7.303 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.284 -5.251 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.724 -5.131 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.980 -5.449 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.260 -7.459 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.952 -7.800 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.669 -8.951 5.126 1.00 0.00 H new ATOM 272 N LYS A 18 4.476 -9.268 10.087 1.00 0.00 N ATOM 273 CA LYS A 18 5.506 -9.676 11.075 1.00 0.00 C ATOM 274 C LYS A 18 5.262 -11.114 11.599 1.00 0.00 C ATOM 275 O LYS A 18 6.167 -11.734 12.167 1.00 0.00 O ATOM 276 CB LYS A 18 5.600 -8.657 12.249 1.00 0.00 C ATOM 277 CG LYS A 18 4.281 -8.406 12.999 1.00 0.00 C ATOM 278 CD LYS A 18 4.451 -7.550 14.278 1.00 0.00 C ATOM 279 CE LYS A 18 5.245 -8.290 15.370 1.00 0.00 C ATOM 280 NZ LYS A 18 5.347 -7.509 16.630 1.00 0.00 N ATOM 0 H LYS A 18 3.783 -8.616 10.455 1.00 0.00 H new ATOM 0 HA LYS A 18 6.465 -9.678 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.343 -9.014 12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.964 -7.707 11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.580 -7.908 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.838 -9.364 13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.962 -6.621 14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.469 -7.279 14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.766 -9.247 15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.247 -8.509 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.890 -8.051 17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.829 -6.607 16.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.393 -7.322 17.000 1.00 0.00 H new ATOM 294 N HIS A 19 4.023 -11.631 11.425 1.00 0.00 N ATOM 295 CA HIS A 19 3.700 -13.067 11.647 1.00 0.00 C ATOM 296 C HIS A 19 3.964 -13.909 10.371 1.00 0.00 C ATOM 297 O HIS A 19 3.657 -15.106 10.349 1.00 0.00 O ATOM 298 CB HIS A 19 2.217 -13.233 12.097 1.00 0.00 C ATOM 299 CG HIS A 19 1.907 -12.775 13.506 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.880 -13.313 14.252 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.462 -11.814 14.290 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.815 -12.710 15.416 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.765 -11.798 15.469 1.00 0.00 N ATOM 0 H HIS A 19 3.222 -11.072 11.129 1.00 0.00 H new ATOM 0 HA HIS A 19 4.354 -13.433 12.439 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.582 -12.679 11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.944 -14.284 12.007 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.298 -11.180 14.032 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.103 -12.925 16.199 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.951 -11.181 16.259 1.00 0.00 H new ATOM 312 N ASP A 20 4.509 -13.255 9.317 1.00 0.00 N ATOM 313 CA ASP A 20 4.855 -13.873 8.005 1.00 0.00 C ATOM 314 C ASP A 20 3.592 -14.280 7.190 1.00 0.00 C ATOM 315 O ASP A 20 3.691 -14.877 6.116 1.00 0.00 O ATOM 316 CB ASP A 20 5.854 -15.061 8.186 1.00 0.00 C ATOM 317 CG ASP A 20 6.552 -15.493 6.881 1.00 0.00 C ATOM 318 OD1 ASP A 20 7.477 -14.783 6.431 1.00 0.00 O ATOM 319 OD2 ASP A 20 6.191 -16.539 6.301 1.00 0.00 O ATOM 0 H ASP A 20 4.727 -12.259 9.352 1.00 0.00 H new ATOM 0 HA ASP A 20 5.362 -13.111 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.612 -14.777 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.317 -15.915 8.600 1.00 0.00 H new ATOM 324 N ASN A 21 2.405 -13.908 7.696 1.00 0.00 N ATOM 325 CA ASN A 21 1.108 -14.104 7.022 1.00 0.00 C ATOM 326 C ASN A 21 0.877 -12.981 5.988 1.00 0.00 C ATOM 327 O ASN A 21 -0.062 -12.176 6.097 1.00 0.00 O ATOM 328 CB ASN A 21 -0.034 -14.161 8.084 1.00 0.00 C ATOM 329 CG ASN A 21 0.073 -15.348 9.052 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.225 -15.227 10.239 1.00 0.00 O ATOM 331 ND2 ASN A 21 0.452 -16.515 8.555 1.00 0.00 N ATOM 0 H ASN A 21 2.317 -13.453 8.604 1.00 0.00 H new ATOM 0 HA ASN A 21 1.110 -15.052 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.028 -13.235 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.993 -14.211 7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.501 -17.335 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.695 -16.594 7.568 1.00 0.00 H new ATOM 338 N ALA A 22 1.762 -12.957 4.978 1.00 0.00 N ATOM 339 CA ALA A 22 1.793 -11.935 3.918 1.00 0.00 C ATOM 340 C ALA A 22 0.506 -11.944 3.076 1.00 0.00 C ATOM 341 O ALA A 22 0.009 -10.886 2.711 1.00 0.00 O ATOM 342 CB ALA A 22 3.032 -12.146 3.032 1.00 0.00 C ATOM 0 H ALA A 22 2.491 -13.662 4.873 1.00 0.00 H new ATOM 0 HA ALA A 22 1.854 -10.955 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.052 -11.388 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.933 -12.063 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.990 -13.136 2.578 1.00 0.00 H new ATOM 348 N SER A 23 -0.016 -13.155 2.777 1.00 0.00 N ATOM 349 CA SER A 23 -1.273 -13.335 2.012 1.00 0.00 C ATOM 350 C SER A 23 -2.485 -12.705 2.735 1.00 0.00 C ATOM 351 O SER A 23 -3.345 -12.090 2.096 1.00 0.00 O ATOM 352 CB SER A 23 -1.535 -14.835 1.738 1.00 0.00 C ATOM 353 OG SER A 23 -0.424 -15.443 1.100 1.00 0.00 O ATOM 0 H SER A 23 0.420 -14.033 3.058 1.00 0.00 H new ATOM 0 HA SER A 23 -1.149 -12.816 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.743 -15.348 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.421 -14.943 1.112 1.00 0.00 H new ATOM 0 HG SER A 23 -0.617 -16.391 0.941 1.00 0.00 H new ATOM 359 N ARG A 24 -2.538 -12.860 4.074 1.00 0.00 N ATOM 360 CA ARG A 24 -3.626 -12.319 4.914 1.00 0.00 C ATOM 361 C ARG A 24 -3.554 -10.786 4.985 1.00 0.00 C ATOM 362 O ARG A 24 -4.581 -10.093 4.924 1.00 0.00 O ATOM 363 CB ARG A 24 -3.532 -12.956 6.332 1.00 0.00 C ATOM 364 CG ARG A 24 -3.787 -14.477 6.357 1.00 0.00 C ATOM 365 CD ARG A 24 -5.203 -14.839 5.873 1.00 0.00 C ATOM 366 NE ARG A 24 -5.411 -16.294 5.775 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.584 -16.896 5.501 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.689 -16.186 5.288 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.642 -18.218 5.433 1.00 0.00 N ATOM 0 H ARG A 24 -1.827 -13.364 4.604 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.589 -12.573 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.542 -12.758 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.253 -12.467 6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.051 -14.977 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.645 -14.851 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.937 -14.416 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.378 -14.384 4.898 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.601 -16.894 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.657 -15.167 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.568 -16.660 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.801 -18.774 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.528 -18.680 5.226 1.00 0.00 H new ATOM 383 N ALA A 25 -2.319 -10.280 5.100 1.00 0.00 N ATOM 384 CA ALA A 25 -2.027 -8.838 5.093 1.00 0.00 C ATOM 385 C ALA A 25 -2.392 -8.217 3.739 1.00 0.00 C ATOM 386 O ALA A 25 -2.956 -7.125 3.681 1.00 0.00 O ATOM 387 CB ALA A 25 -0.547 -8.622 5.390 1.00 0.00 C ATOM 0 H ALA A 25 -1.488 -10.863 5.201 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.627 -8.351 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.327 -7.554 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.308 -9.038 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.053 -9.119 4.628 1.00 0.00 H new ATOM 393 N LEU A 26 -2.099 -8.985 2.671 1.00 0.00 N ATOM 394 CA LEU A 26 -2.300 -8.570 1.272 1.00 0.00 C ATOM 395 C LEU A 26 -3.787 -8.321 1.027 1.00 0.00 C ATOM 396 O LEU A 26 -4.174 -7.281 0.505 1.00 0.00 O ATOM 397 CB LEU A 26 -1.768 -9.670 0.305 1.00 0.00 C ATOM 398 CG LEU A 26 -1.732 -9.306 -1.210 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.731 -8.170 -1.496 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.424 -10.546 -2.078 1.00 0.00 C ATOM 0 H LEU A 26 -1.711 -9.924 2.759 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.747 -7.650 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.758 -9.938 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.386 -10.560 0.428 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.725 -8.946 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.733 -7.943 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.020 -7.281 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.269 -8.481 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.406 -10.259 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.454 -10.955 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.195 -11.300 -1.921 1.00 0.00 H new ATOM 412 N ALA A 27 -4.593 -9.302 1.463 1.00 0.00 N ATOM 413 CA ALA A 27 -6.062 -9.255 1.425 1.00 0.00 C ATOM 414 C ALA A 27 -6.615 -7.988 2.099 1.00 0.00 C ATOM 415 O ALA A 27 -7.469 -7.314 1.530 1.00 0.00 O ATOM 416 CB ALA A 27 -6.628 -10.517 2.100 1.00 0.00 C ATOM 0 H ALA A 27 -4.232 -10.169 1.861 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.376 -9.222 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.717 -10.486 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.277 -11.402 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.291 -10.558 3.136 1.00 0.00 H new ATOM 422 N LEU A 28 -6.098 -7.675 3.300 1.00 0.00 N ATOM 423 CA LEU A 28 -6.544 -6.500 4.077 1.00 0.00 C ATOM 424 C LEU A 28 -6.209 -5.174 3.377 1.00 0.00 C ATOM 425 O LEU A 28 -7.029 -4.254 3.390 1.00 0.00 O ATOM 426 CB LEU A 28 -5.954 -6.528 5.513 1.00 0.00 C ATOM 427 CG LEU A 28 -6.526 -7.643 6.443 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.884 -7.599 7.847 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.067 -7.542 6.528 1.00 0.00 C ATOM 0 H LEU A 28 -5.368 -8.221 3.757 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.630 -6.560 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.874 -6.654 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.132 -5.560 5.981 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.271 -8.607 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.308 -8.390 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.807 -7.744 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.083 -6.632 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.448 -8.328 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.346 -6.568 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.495 -7.659 5.532 1.00 0.00 H new ATOM 441 N PHE A 29 -5.016 -5.092 2.757 1.00 0.00 N ATOM 442 CA PHE A 29 -4.568 -3.878 2.048 1.00 0.00 C ATOM 443 C PHE A 29 -5.368 -3.667 0.737 1.00 0.00 C ATOM 444 O PHE A 29 -5.766 -2.549 0.425 1.00 0.00 O ATOM 445 CB PHE A 29 -3.052 -3.934 1.738 1.00 0.00 C ATOM 446 CG PHE A 29 -2.103 -3.867 2.938 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.243 -2.877 3.914 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.042 -4.768 3.065 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.362 -2.803 4.980 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.167 -4.694 4.135 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.325 -3.711 5.089 1.00 0.00 C ATOM 0 H PHE A 29 -4.342 -5.857 2.733 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.755 -3.032 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.849 -4.857 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.811 -3.110 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.048 -2.161 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.903 -5.534 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.485 -2.034 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.640 -5.407 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.361 -3.650 5.921 1.00 0.00 H new ATOM 461 N GLU A 30 -5.573 -4.748 -0.026 1.00 0.00 N ATOM 462 CA GLU A 30 -6.399 -4.734 -1.260 1.00 0.00 C ATOM 463 C GLU A 30 -7.850 -4.317 -0.951 1.00 0.00 C ATOM 464 O GLU A 30 -8.462 -3.529 -1.692 1.00 0.00 O ATOM 465 CB GLU A 30 -6.361 -6.137 -1.920 1.00 0.00 C ATOM 466 CG GLU A 30 -4.990 -6.526 -2.498 1.00 0.00 C ATOM 467 CD GLU A 30 -4.985 -7.934 -3.111 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.928 -8.922 -2.352 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.073 -8.064 -4.355 1.00 0.00 O ATOM 0 H GLU A 30 -5.174 -5.662 0.187 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.987 -3.999 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.655 -6.882 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.102 -6.170 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.702 -5.801 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.240 -6.475 -1.709 1.00 0.00 H new ATOM 476 N GLU A 31 -8.363 -4.831 0.177 1.00 0.00 N ATOM 477 CA GLU A 31 -9.723 -4.551 0.661 1.00 0.00 C ATOM 478 C GLU A 31 -9.821 -3.098 1.172 1.00 0.00 C ATOM 479 O GLU A 31 -10.868 -2.464 1.074 1.00 0.00 O ATOM 480 CB GLU A 31 -10.083 -5.560 1.774 1.00 0.00 C ATOM 481 CG GLU A 31 -11.537 -5.531 2.263 1.00 0.00 C ATOM 482 CD GLU A 31 -11.821 -6.635 3.293 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.504 -6.452 4.489 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.328 -7.714 2.910 1.00 0.00 O ATOM 0 H GLU A 31 -7.839 -5.460 0.786 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.435 -4.662 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.862 -6.564 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.430 -5.378 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.751 -4.558 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.208 -5.648 1.412 1.00 0.00 H new ATOM 491 N LEU A 32 -8.696 -2.593 1.700 1.00 0.00 N ATOM 492 CA LEU A 32 -8.549 -1.191 2.128 1.00 0.00 C ATOM 493 C LEU A 32 -8.655 -0.236 0.936 1.00 0.00 C ATOM 494 O LEU A 32 -9.276 0.799 1.051 1.00 0.00 O ATOM 495 CB LEU A 32 -7.189 -0.991 2.853 1.00 0.00 C ATOM 496 CG LEU A 32 -7.208 -1.112 4.398 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.786 -1.314 4.966 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.890 0.128 5.013 1.00 0.00 C ATOM 0 H LEU A 32 -7.854 -3.150 1.844 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.360 -0.962 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.482 -1.723 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.804 -0.005 2.592 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.786 -1.996 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.836 -1.395 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.356 -2.227 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.161 -0.463 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.900 0.037 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.339 1.025 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.914 0.200 4.646 1.00 0.00 H new ATOM 510 N VAL A 33 -8.017 -0.593 -0.189 1.00 0.00 N ATOM 511 CA VAL A 33 -8.019 0.238 -1.409 1.00 0.00 C ATOM 512 C VAL A 33 -9.448 0.417 -1.948 1.00 0.00 C ATOM 513 O VAL A 33 -9.876 1.546 -2.208 1.00 0.00 O ATOM 514 CB VAL A 33 -7.075 -0.355 -2.531 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.228 0.389 -3.889 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.607 -0.323 -2.057 1.00 0.00 C ATOM 0 H VAL A 33 -7.487 -1.460 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.625 1.216 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.378 -1.388 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.559 -0.056 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.258 0.304 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.975 1.441 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.964 -0.733 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.314 0.706 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.504 -0.919 -1.150 1.00 0.00 H new ATOM 526 N GLU A 34 -10.178 -0.703 -2.111 1.00 0.00 N ATOM 527 CA GLU A 34 -11.541 -0.679 -2.682 1.00 0.00 C ATOM 528 C GLU A 34 -12.541 0.089 -1.781 1.00 0.00 C ATOM 529 O GLU A 34 -13.298 0.925 -2.280 1.00 0.00 O ATOM 530 CB GLU A 34 -12.055 -2.115 -2.985 1.00 0.00 C ATOM 531 CG GLU A 34 -12.070 -3.071 -1.783 1.00 0.00 C ATOM 532 CD GLU A 34 -12.703 -4.442 -2.079 1.00 0.00 C ATOM 533 OE1 GLU A 34 -12.121 -5.212 -2.867 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.796 -4.741 -1.543 1.00 0.00 O ATOM 0 H GLU A 34 -9.849 -1.634 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.476 -0.137 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.066 -2.045 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.432 -2.549 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.047 -3.222 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.615 -2.600 -0.965 1.00 0.00 H new ATOM 541 N THR A 35 -12.541 -0.178 -0.459 1.00 0.00 N ATOM 542 CA THR A 35 -13.526 0.413 0.472 1.00 0.00 C ATOM 543 C THR A 35 -13.123 1.829 0.924 1.00 0.00 C ATOM 544 O THR A 35 -13.981 2.691 1.143 1.00 0.00 O ATOM 545 CB THR A 35 -13.723 -0.502 1.723 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.479 -0.667 2.429 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.263 -1.886 1.322 1.00 0.00 C ATOM 0 H THR A 35 -11.869 -0.800 -0.011 1.00 0.00 H new ATOM 0 HA THR A 35 -14.467 0.490 -0.073 1.00 0.00 H new ATOM 0 HB THR A 35 -14.450 -0.015 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.952 -1.374 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.389 -2.500 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.224 -1.770 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.558 -2.370 0.646 1.00 0.00 H new ATOM 555 N ASP A 36 -11.804 2.048 1.061 1.00 0.00 N ATOM 556 CA ASP A 36 -11.213 3.317 1.562 1.00 0.00 C ATOM 557 C ASP A 36 -10.071 3.768 0.621 1.00 0.00 C ATOM 558 O ASP A 36 -8.886 3.626 0.966 1.00 0.00 O ATOM 559 CB ASP A 36 -10.674 3.135 3.016 1.00 0.00 C ATOM 560 CG ASP A 36 -11.734 2.621 3.990 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.643 3.399 4.341 1.00 0.00 O ATOM 562 OD2 ASP A 36 -11.676 1.435 4.400 1.00 0.00 O ATOM 0 H ASP A 36 -11.103 1.345 0.826 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.988 4.083 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.835 2.439 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.290 4.089 3.377 1.00 0.00 H new ATOM 567 N PRO A 37 -10.393 4.296 -0.604 1.00 0.00 N ATOM 568 CA PRO A 37 -9.359 4.741 -1.570 1.00 0.00 C ATOM 569 C PRO A 37 -8.574 5.972 -1.068 1.00 0.00 C ATOM 570 O PRO A 37 -7.461 6.227 -1.515 1.00 0.00 O ATOM 571 CB PRO A 37 -10.160 5.050 -2.874 1.00 0.00 C ATOM 572 CG PRO A 37 -11.534 4.476 -2.645 1.00 0.00 C ATOM 573 CD PRO A 37 -11.754 4.504 -1.150 1.00 0.00 C ATOM 0 HA PRO A 37 -8.593 3.982 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.208 6.123 -3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.685 4.597 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.293 5.063 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.601 3.458 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.178 5.453 -0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.441 3.721 -0.829 1.00 0.00 H new ATOM 581 N ASP A 38 -9.171 6.698 -0.115 1.00 0.00 N ATOM 582 CA ASP A 38 -8.583 7.913 0.472 1.00 0.00 C ATOM 583 C ASP A 38 -7.403 7.573 1.404 1.00 0.00 C ATOM 584 O ASP A 38 -6.510 8.406 1.590 1.00 0.00 O ATOM 585 CB ASP A 38 -9.663 8.706 1.254 1.00 0.00 C ATOM 586 CG ASP A 38 -10.150 7.982 2.523 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.839 6.944 2.398 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.845 8.439 3.647 1.00 0.00 O ATOM 0 H ASP A 38 -10.083 6.459 0.275 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.203 8.528 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.259 9.680 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.515 8.889 0.599 1.00 0.00 H new ATOM 593 N TYR A 39 -7.430 6.357 2.007 1.00 0.00 N ATOM 594 CA TYR A 39 -6.405 5.920 2.966 1.00 0.00 C ATOM 595 C TYR A 39 -5.065 5.660 2.233 1.00 0.00 C ATOM 596 O TYR A 39 -4.813 4.560 1.723 1.00 0.00 O ATOM 597 CB TYR A 39 -6.879 4.668 3.769 1.00 0.00 C ATOM 598 CG TYR A 39 -6.152 4.493 5.119 1.00 0.00 C ATOM 599 CD1 TYR A 39 -4.955 3.780 5.219 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.655 5.069 6.290 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.294 3.650 6.425 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.993 4.942 7.497 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.818 4.230 7.560 1.00 0.00 C ATOM 604 OH TYR A 39 -4.158 4.108 8.762 1.00 0.00 O ATOM 0 H TYR A 39 -8.159 5.664 1.839 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.244 6.718 3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.951 4.746 3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.722 3.776 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.538 3.321 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.580 5.625 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.369 3.095 6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.397 5.400 8.387 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.642 3.275 8.769 1.00 0.00 H new ATOM 614 N VAL A 40 -4.231 6.713 2.183 1.00 0.00 N ATOM 615 CA VAL A 40 -2.938 6.727 1.463 1.00 0.00 C ATOM 616 C VAL A 40 -1.929 5.727 2.072 1.00 0.00 C ATOM 617 O VAL A 40 -1.110 5.130 1.349 1.00 0.00 O ATOM 618 CB VAL A 40 -2.310 8.172 1.477 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.004 8.237 0.663 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.320 9.226 0.979 1.00 0.00 C ATOM 0 H VAL A 40 -4.437 7.596 2.649 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.143 6.426 0.436 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.062 8.403 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.603 9.250 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.277 7.544 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.207 7.963 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.857 10.212 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.620 8.988 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.198 9.223 1.626 1.00 0.00 H new ATOM 630 N GLY A 41 -2.016 5.548 3.407 1.00 0.00 N ATOM 631 CA GLY A 41 -1.101 4.679 4.159 1.00 0.00 C ATOM 632 C GLY A 41 -1.096 3.237 3.661 1.00 0.00 C ATOM 633 O GLY A 41 -0.061 2.551 3.709 1.00 0.00 O ATOM 0 H GLY A 41 -2.721 6.002 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.091 5.083 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.381 4.692 5.212 1.00 0.00 H new ATOM 637 N THR A 42 -2.272 2.787 3.182 1.00 0.00 N ATOM 638 CA THR A 42 -2.459 1.462 2.587 1.00 0.00 C ATOM 639 C THR A 42 -1.516 1.246 1.396 1.00 0.00 C ATOM 640 O THR A 42 -0.762 0.275 1.371 1.00 0.00 O ATOM 641 CB THR A 42 -3.932 1.286 2.105 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.816 1.384 3.232 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.147 -0.054 1.385 1.00 0.00 C ATOM 0 H THR A 42 -3.125 3.345 3.201 1.00 0.00 H new ATOM 0 HA THR A 42 -2.230 0.724 3.356 1.00 0.00 H new ATOM 0 HB THR A 42 -4.148 2.078 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.614 1.892 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.187 -0.133 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.496 -0.107 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.912 -0.874 2.064 1.00 0.00 H new ATOM 651 N TYR A 43 -1.552 2.205 0.451 1.00 0.00 N ATOM 652 CA TYR A 43 -0.926 2.078 -0.878 1.00 0.00 C ATOM 653 C TYR A 43 0.581 1.826 -0.797 1.00 0.00 C ATOM 654 O TYR A 43 1.122 1.041 -1.586 1.00 0.00 O ATOM 655 CB TYR A 43 -1.219 3.332 -1.730 1.00 0.00 C ATOM 656 CG TYR A 43 -2.700 3.482 -2.098 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.211 2.900 -3.259 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.588 4.187 -1.285 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.535 3.027 -3.596 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.914 4.313 -1.625 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.379 3.730 -2.781 1.00 0.00 C ATOM 662 OH TYR A 43 -6.694 3.863 -3.125 1.00 0.00 O ATOM 0 H TYR A 43 -2.022 3.099 0.591 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.367 1.204 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.896 4.218 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.627 3.288 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.552 2.339 -3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.228 4.641 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.909 2.573 -4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.587 4.867 -0.988 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.007 4.759 -2.881 1.00 0.00 H new ATOM 672 N TYR A 44 1.253 2.537 0.123 1.00 0.00 N ATOM 673 CA TYR A 44 2.667 2.299 0.423 1.00 0.00 C ATOM 674 C TYR A 44 2.907 0.823 0.809 1.00 0.00 C ATOM 675 O TYR A 44 3.507 0.092 0.038 1.00 0.00 O ATOM 676 CB TYR A 44 3.155 3.273 1.528 1.00 0.00 C ATOM 677 CG TYR A 44 4.669 3.211 1.806 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.600 3.624 0.840 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.169 2.736 3.022 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.961 3.557 1.085 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.525 2.675 3.266 1.00 0.00 C ATOM 682 CZ TYR A 44 7.414 3.081 2.299 1.00 0.00 C ATOM 683 OH TYR A 44 8.765 2.998 2.543 1.00 0.00 O ATOM 0 H TYR A 44 0.832 3.286 0.673 1.00 0.00 H new ATOM 0 HA TYR A 44 3.254 2.495 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.892 4.291 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.619 3.054 2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.249 4.000 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.479 2.410 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.665 3.876 0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.888 2.309 4.215 1.00 0.00 H new ATOM 0 HH TYR A 44 8.913 2.644 3.445 1.00 0.00 H new ATOM 693 N HIS A 45 2.342 0.392 1.954 1.00 0.00 N ATOM 694 CA HIS A 45 2.572 -0.969 2.531 1.00 0.00 C ATOM 695 C HIS A 45 2.128 -2.105 1.586 1.00 0.00 C ATOM 696 O HIS A 45 2.728 -3.185 1.584 1.00 0.00 O ATOM 697 CB HIS A 45 1.855 -1.113 3.898 1.00 0.00 C ATOM 698 CG HIS A 45 2.423 -0.244 4.982 1.00 0.00 C ATOM 699 ND1 HIS A 45 2.868 -0.727 6.190 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.601 1.090 5.032 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.287 0.278 6.932 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.135 1.391 6.252 1.00 0.00 N ATOM 0 H HIS A 45 1.712 0.968 2.512 1.00 0.00 H new ATOM 0 HA HIS A 45 3.649 -1.065 2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.800 -0.872 3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.908 -2.154 4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.364 1.795 4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.688 0.200 7.932 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.376 2.326 6.581 1.00 0.00 H new ATOM 711 N LEU A 46 1.085 -1.841 0.792 1.00 0.00 N ATOM 712 CA LEU A 46 0.542 -2.803 -0.183 1.00 0.00 C ATOM 713 C LEU A 46 1.526 -2.989 -1.346 1.00 0.00 C ATOM 714 O LEU A 46 1.784 -4.124 -1.773 1.00 0.00 O ATOM 715 CB LEU A 46 -0.841 -2.322 -0.693 1.00 0.00 C ATOM 716 CG LEU A 46 -1.542 -3.199 -1.789 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.615 -4.695 -1.401 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.946 -2.654 -2.106 1.00 0.00 C ATOM 0 H LEU A 46 0.588 -0.950 0.805 1.00 0.00 H new ATOM 0 HA LEU A 46 0.407 -3.769 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.512 -2.251 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.723 -1.314 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.924 -3.134 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.110 -5.253 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.607 -5.083 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.180 -4.804 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.414 -3.277 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.554 -2.668 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.865 -1.631 -2.473 1.00 0.00 H new ATOM 730 N GLY A 47 2.094 -1.868 -1.823 1.00 0.00 N ATOM 731 CA GLY A 47 3.055 -1.891 -2.919 1.00 0.00 C ATOM 732 C GLY A 47 4.396 -2.465 -2.477 1.00 0.00 C ATOM 733 O GLY A 47 5.062 -3.141 -3.252 1.00 0.00 O ATOM 0 H GLY A 47 1.898 -0.935 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.657 -2.486 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.199 -0.880 -3.299 1.00 0.00 H new ATOM 737 N LYS A 48 4.774 -2.184 -1.208 1.00 0.00 N ATOM 738 CA LYS A 48 6.010 -2.701 -0.578 1.00 0.00 C ATOM 739 C LYS A 48 5.948 -4.232 -0.504 1.00 0.00 C ATOM 740 O LYS A 48 6.934 -4.923 -0.765 1.00 0.00 O ATOM 741 CB LYS A 48 6.196 -2.110 0.855 1.00 0.00 C ATOM 742 CG LYS A 48 6.389 -0.573 0.920 1.00 0.00 C ATOM 743 CD LYS A 48 7.678 -0.079 0.229 1.00 0.00 C ATOM 744 CE LYS A 48 8.952 -0.517 0.956 1.00 0.00 C ATOM 745 NZ LYS A 48 9.057 0.066 2.320 1.00 0.00 N ATOM 0 H LYS A 48 4.225 -1.588 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 48 6.861 -2.397 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.326 -2.376 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.060 -2.588 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.530 -0.088 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.405 -0.262 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.702 -0.455 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.657 1.009 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.971 -1.605 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.822 -0.221 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.011 -0.104 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.880 1.090 2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.353 -0.379 2.943 1.00 0.00 H new ATOM 759 N LEU A 49 4.750 -4.729 -0.167 1.00 0.00 N ATOM 760 CA LEU A 49 4.468 -6.163 -0.084 1.00 0.00 C ATOM 761 C LEU A 49 4.525 -6.789 -1.493 1.00 0.00 C ATOM 762 O LEU A 49 5.094 -7.868 -1.669 1.00 0.00 O ATOM 763 CB LEU A 49 3.095 -6.389 0.602 1.00 0.00 C ATOM 764 CG LEU A 49 2.605 -7.868 0.747 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.690 -8.788 1.359 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.304 -7.922 1.580 1.00 0.00 C ATOM 0 H LEU A 49 3.947 -4.141 0.056 1.00 0.00 H new ATOM 0 HA LEU A 49 5.225 -6.657 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.138 -5.948 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.341 -5.837 0.041 1.00 0.00 H new ATOM 0 HG LEU A 49 2.400 -8.245 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.303 -9.804 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.572 -8.786 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.960 -8.423 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.974 -8.957 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.490 -7.510 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.529 -7.338 1.083 1.00 0.00 H new ATOM 778 N TYR A 50 3.978 -6.067 -2.491 1.00 0.00 N ATOM 779 CA TYR A 50 4.027 -6.479 -3.910 1.00 0.00 C ATOM 780 C TYR A 50 5.481 -6.608 -4.406 1.00 0.00 C ATOM 781 O TYR A 50 5.810 -7.559 -5.114 1.00 0.00 O ATOM 782 CB TYR A 50 3.236 -5.482 -4.806 1.00 0.00 C ATOM 783 CG TYR A 50 1.712 -5.676 -4.815 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.158 -6.956 -4.864 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.829 -4.592 -4.817 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.202 -7.146 -4.908 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.540 -4.787 -4.868 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.047 -6.064 -4.910 1.00 0.00 C ATOM 789 OH TYR A 50 -2.406 -6.267 -4.961 1.00 0.00 O ATOM 0 H TYR A 50 3.491 -5.184 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 50 3.556 -7.459 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.455 -4.467 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.603 -5.568 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.812 -7.815 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.222 -3.587 -4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.606 -8.147 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.208 -3.938 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.866 -5.402 -4.954 1.00 0.00 H new ATOM 799 N GLU A 51 6.343 -5.658 -3.999 1.00 0.00 N ATOM 800 CA GLU A 51 7.783 -5.674 -4.339 1.00 0.00 C ATOM 801 C GLU A 51 8.460 -6.977 -3.845 1.00 0.00 C ATOM 802 O GLU A 51 9.295 -7.564 -4.542 1.00 0.00 O ATOM 803 CB GLU A 51 8.499 -4.438 -3.730 1.00 0.00 C ATOM 804 CG GLU A 51 8.085 -3.079 -4.336 1.00 0.00 C ATOM 805 CD GLU A 51 8.966 -1.919 -3.838 1.00 0.00 C ATOM 806 OE1 GLU A 51 10.042 -1.663 -4.438 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.622 -1.285 -2.822 1.00 0.00 O ATOM 0 H GLU A 51 6.065 -4.860 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 51 7.870 -5.634 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.303 -4.415 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.575 -4.562 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.145 -3.136 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.044 -2.875 -4.085 1.00 0.00 H new ATOM 814 N ARG A 52 8.041 -7.426 -2.647 1.00 0.00 N ATOM 815 CA ARG A 52 8.568 -8.639 -1.987 1.00 0.00 C ATOM 816 C ARG A 52 8.079 -9.923 -2.687 1.00 0.00 C ATOM 817 O ARG A 52 8.811 -10.920 -2.765 1.00 0.00 O ATOM 818 CB ARG A 52 8.141 -8.643 -0.496 1.00 0.00 C ATOM 819 CG ARG A 52 8.684 -7.452 0.314 1.00 0.00 C ATOM 820 CD ARG A 52 8.267 -7.504 1.780 1.00 0.00 C ATOM 821 NE ARG A 52 8.821 -6.384 2.551 1.00 0.00 N ATOM 822 CZ ARG A 52 8.810 -6.301 3.885 1.00 0.00 C ATOM 823 NH1 ARG A 52 8.348 -7.299 4.627 1.00 0.00 N ATOM 824 NH2 ARG A 52 9.270 -5.225 4.480 1.00 0.00 N ATOM 0 H ARG A 52 7.319 -6.953 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 52 9.656 -8.622 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.052 -8.641 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.482 -9.569 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.772 -7.439 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.327 -6.522 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.179 -7.488 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.600 -8.445 2.218 1.00 0.00 H new ATOM 0 HE ARG A 52 9.244 -5.615 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.994 -8.145 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.346 -7.220 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.636 -4.452 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.261 -5.162 5.498 1.00 0.00 H new ATOM 838 N LEU A 53 6.840 -9.875 -3.200 1.00 0.00 N ATOM 839 CA LEU A 53 6.202 -11.009 -3.902 1.00 0.00 C ATOM 840 C LEU A 53 6.587 -11.029 -5.405 1.00 0.00 C ATOM 841 O LEU A 53 6.002 -11.794 -6.178 1.00 0.00 O ATOM 842 CB LEU A 53 4.655 -10.908 -3.739 1.00 0.00 C ATOM 843 CG LEU A 53 4.103 -10.803 -2.278 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.564 -10.641 -2.266 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.554 -12.000 -1.405 1.00 0.00 C ATOM 0 H LEU A 53 6.247 -9.047 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 53 6.557 -11.940 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.311 -10.036 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.206 -11.783 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 53 4.532 -9.904 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.214 -10.571 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.289 -9.734 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.104 -11.503 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.150 -11.889 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.187 -12.928 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.643 -12.026 -1.358 1.00 0.00 H new ATOM 857 N ASP A 54 7.567 -10.168 -5.801 1.00 0.00 N ATOM 858 CA ASP A 54 7.992 -9.935 -7.213 1.00 0.00 C ATOM 859 C ASP A 54 6.819 -9.455 -8.113 1.00 0.00 C ATOM 860 O ASP A 54 6.918 -9.433 -9.343 1.00 0.00 O ATOM 861 CB ASP A 54 8.710 -11.194 -7.802 1.00 0.00 C ATOM 862 CG ASP A 54 9.438 -10.932 -9.143 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.301 -10.034 -9.194 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.161 -11.619 -10.146 1.00 0.00 O ATOM 0 H ASP A 54 8.095 -9.605 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 54 8.717 -9.121 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.433 -11.562 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.974 -11.985 -7.948 1.00 0.00 H new ATOM 869 N ARG A 55 5.735 -9.002 -7.465 1.00 0.00 N ATOM 870 CA ARG A 55 4.551 -8.418 -8.114 1.00 0.00 C ATOM 871 C ARG A 55 4.829 -6.917 -8.352 1.00 0.00 C ATOM 872 O ARG A 55 4.076 -6.040 -7.925 1.00 0.00 O ATOM 873 CB ARG A 55 3.301 -8.632 -7.212 1.00 0.00 C ATOM 874 CG ARG A 55 2.936 -10.105 -6.918 1.00 0.00 C ATOM 875 CD ARG A 55 2.533 -10.884 -8.178 1.00 0.00 C ATOM 876 NE ARG A 55 1.390 -10.254 -8.863 1.00 0.00 N ATOM 877 CZ ARG A 55 0.313 -10.881 -9.340 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.183 -12.195 -9.229 1.00 0.00 N ATOM 879 NH2 ARG A 55 -0.640 -10.172 -9.923 1.00 0.00 N ATOM 0 H ARG A 55 5.655 -9.032 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 55 4.351 -8.900 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.467 -8.121 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.445 -8.152 -7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.787 -10.598 -6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.116 -10.135 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.382 -10.938 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.276 -11.908 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 55 1.426 -9.242 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.913 -12.743 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.647 -12.658 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.546 -9.160 -10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.469 -10.638 -10.292 1.00 0.00 H new ATOM 893 N THR A 56 5.937 -6.657 -9.052 1.00 0.00 N ATOM 894 CA THR A 56 6.483 -5.321 -9.271 1.00 0.00 C ATOM 895 C THR A 56 5.522 -4.466 -10.117 1.00 0.00 C ATOM 896 O THR A 56 5.364 -3.278 -9.856 1.00 0.00 O ATOM 897 CB THR A 56 7.876 -5.434 -9.966 1.00 0.00 C ATOM 898 OG1 THR A 56 8.736 -6.296 -9.196 1.00 0.00 O ATOM 899 CG2 THR A 56 8.555 -4.070 -10.153 1.00 0.00 C ATOM 0 H THR A 56 6.491 -7.392 -9.492 1.00 0.00 H new ATOM 0 HA THR A 56 6.604 -4.828 -8.307 1.00 0.00 H new ATOM 0 HB THR A 56 7.706 -5.853 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.609 -6.366 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.520 -4.208 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.924 -3.431 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.704 -3.601 -9.180 1.00 0.00 H new ATOM 907 N ASP A 57 4.858 -5.108 -11.097 1.00 0.00 N ATOM 908 CA ASP A 57 3.855 -4.460 -11.972 1.00 0.00 C ATOM 909 C ASP A 57 2.673 -3.931 -11.136 1.00 0.00 C ATOM 910 O ASP A 57 2.177 -2.813 -11.353 1.00 0.00 O ATOM 911 CB ASP A 57 3.360 -5.473 -13.044 1.00 0.00 C ATOM 912 CG ASP A 57 2.369 -4.867 -14.061 1.00 0.00 C ATOM 913 OD1 ASP A 57 2.817 -4.307 -15.084 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.147 -4.939 -13.839 1.00 0.00 O ATOM 0 H ASP A 57 5.001 -6.096 -11.307 1.00 0.00 H new ATOM 0 HA ASP A 57 4.318 -3.612 -12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.221 -5.869 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.883 -6.315 -12.542 1.00 0.00 H new ATOM 919 N ASP A 58 2.263 -4.757 -10.163 1.00 0.00 N ATOM 920 CA ASP A 58 1.179 -4.441 -9.213 1.00 0.00 C ATOM 921 C ASP A 58 1.604 -3.297 -8.288 1.00 0.00 C ATOM 922 O ASP A 58 0.792 -2.438 -7.958 1.00 0.00 O ATOM 923 CB ASP A 58 0.828 -5.686 -8.358 1.00 0.00 C ATOM 924 CG ASP A 58 0.426 -6.908 -9.184 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.292 -7.454 -9.898 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.749 -7.326 -9.141 1.00 0.00 O ATOM 0 H ASP A 58 2.678 -5.676 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 58 0.301 -4.139 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.687 -5.944 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.012 -5.432 -7.681 1.00 0.00 H new ATOM 931 N ALA A 59 2.891 -3.321 -7.871 1.00 0.00 N ATOM 932 CA ALA A 59 3.485 -2.290 -7.002 1.00 0.00 C ATOM 933 C ALA A 59 3.383 -0.907 -7.664 1.00 0.00 C ATOM 934 O ALA A 59 2.888 0.032 -7.051 1.00 0.00 O ATOM 935 CB ALA A 59 4.953 -2.628 -6.667 1.00 0.00 C ATOM 0 H ALA A 59 3.545 -4.060 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 59 2.925 -2.268 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.368 -1.851 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.997 -3.587 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.533 -2.685 -7.588 1.00 0.00 H new ATOM 941 N ILE A 60 3.803 -0.824 -8.947 1.00 0.00 N ATOM 942 CA ILE A 60 3.772 0.429 -9.744 1.00 0.00 C ATOM 943 C ILE A 60 2.338 0.987 -9.826 1.00 0.00 C ATOM 944 O ILE A 60 2.114 2.196 -9.691 1.00 0.00 O ATOM 945 CB ILE A 60 4.321 0.207 -11.214 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.727 -0.480 -11.208 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.363 1.537 -12.009 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.796 0.244 -10.414 1.00 0.00 C ATOM 0 H ILE A 60 4.174 -1.623 -9.461 1.00 0.00 H new ATOM 0 HA ILE A 60 4.419 1.143 -9.234 1.00 0.00 H new ATOM 0 HB ILE A 60 3.625 -0.465 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.619 -1.488 -10.807 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.068 -0.581 -12.238 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.744 1.349 -13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.358 1.953 -12.075 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.016 2.245 -11.499 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.732 -0.312 -10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.941 1.243 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.485 0.322 -9.372 1.00 0.00 H new ATOM 960 N ASP A 61 1.383 0.061 -10.022 1.00 0.00 N ATOM 961 CA ASP A 61 -0.051 0.370 -10.150 1.00 0.00 C ATOM 962 C ASP A 61 -0.622 0.921 -8.824 1.00 0.00 C ATOM 963 O ASP A 61 -1.375 1.902 -8.821 1.00 0.00 O ATOM 964 CB ASP A 61 -0.827 -0.904 -10.583 1.00 0.00 C ATOM 965 CG ASP A 61 -2.304 -0.634 -10.934 1.00 0.00 C ATOM 966 OD1 ASP A 61 -3.153 -0.593 -10.021 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.620 -0.465 -12.131 1.00 0.00 O ATOM 0 H ASP A 61 1.589 -0.935 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.171 1.140 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.331 -1.346 -11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.781 -1.639 -9.779 1.00 0.00 H new ATOM 972 N THR A 62 -0.241 0.273 -7.706 1.00 0.00 N ATOM 973 CA THR A 62 -0.711 0.629 -6.354 1.00 0.00 C ATOM 974 C THR A 62 -0.187 2.016 -5.942 1.00 0.00 C ATOM 975 O THR A 62 -0.927 2.833 -5.390 1.00 0.00 O ATOM 976 CB THR A 62 -0.260 -0.444 -5.306 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.746 -1.735 -5.691 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.768 -0.134 -3.892 1.00 0.00 C ATOM 0 H THR A 62 0.405 -0.516 -7.716 1.00 0.00 H new ATOM 0 HA THR A 62 -1.800 0.658 -6.377 1.00 0.00 H new ATOM 0 HB THR A 62 0.830 -0.428 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.256 -2.047 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.427 -0.909 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.381 0.833 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.858 -0.106 -3.895 1.00 0.00 H new ATOM 986 N TYR A 63 1.103 2.256 -6.221 1.00 0.00 N ATOM 987 CA TYR A 63 1.761 3.540 -5.946 1.00 0.00 C ATOM 988 C TYR A 63 1.146 4.663 -6.793 1.00 0.00 C ATOM 989 O TYR A 63 0.950 5.755 -6.289 1.00 0.00 O ATOM 990 CB TYR A 63 3.288 3.449 -6.186 1.00 0.00 C ATOM 991 CG TYR A 63 4.030 2.529 -5.202 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.759 2.578 -3.834 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.000 1.621 -5.633 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.421 1.764 -2.945 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.665 0.808 -4.741 1.00 0.00 C ATOM 996 CZ TYR A 63 5.369 0.887 -3.404 1.00 0.00 C ATOM 997 OH TYR A 63 6.037 0.100 -2.518 1.00 0.00 O ATOM 0 H TYR A 63 1.720 1.563 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 63 1.599 3.777 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.464 3.093 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.714 4.450 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.015 3.269 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.233 1.555 -6.685 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.195 1.816 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.414 0.114 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 63 6.873 -0.212 -2.923 1.00 0.00 H new ATOM 1007 N ALA A 64 0.842 4.362 -8.075 1.00 0.00 N ATOM 1008 CA ALA A 64 0.192 5.305 -9.018 1.00 0.00 C ATOM 1009 C ALA A 64 -1.188 5.763 -8.498 1.00 0.00 C ATOM 1010 O ALA A 64 -1.501 6.962 -8.498 1.00 0.00 O ATOM 1011 CB ALA A 64 0.057 4.648 -10.401 1.00 0.00 C ATOM 0 H ALA A 64 1.041 3.452 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 64 0.821 6.192 -9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.421 5.345 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.046 4.386 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.550 3.746 -10.318 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.997 4.779 -8.069 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.307 5.014 -7.419 1.00 0.00 C ATOM 1019 C GLN A 65 -3.140 5.842 -6.137 1.00 0.00 C ATOM 1020 O GLN A 65 -3.967 6.709 -5.819 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.990 3.646 -7.112 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.636 2.955 -8.341 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.103 3.357 -8.612 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.864 2.578 -9.170 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.522 4.559 -8.215 1.00 0.00 N ATOM 0 H GLN A 65 -1.763 3.791 -8.162 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.943 5.582 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.248 2.973 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.758 3.800 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.041 3.186 -9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.590 1.875 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.875 5.197 -7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.489 4.840 -8.375 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.062 5.525 -5.414 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.660 6.245 -4.226 1.00 0.00 C ATOM 1036 C GLY A 66 -1.342 7.713 -4.478 1.00 0.00 C ATOM 1037 O GLY A 66 -1.754 8.552 -3.709 1.00 0.00 O ATOM 0 H GLY A 66 -1.443 4.749 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.456 6.177 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.782 5.761 -3.798 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.620 8.003 -5.577 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.161 9.373 -5.939 1.00 0.00 C ATOM 1043 C ILE A 67 -1.358 10.345 -6.065 1.00 0.00 C ATOM 1044 O ILE A 67 -1.300 11.494 -5.585 1.00 0.00 O ATOM 1045 CB ILE A 67 0.676 9.335 -7.285 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.031 8.579 -7.072 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.920 10.748 -7.882 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.811 8.289 -8.343 1.00 0.00 C ATOM 0 H ILE A 67 -0.332 7.292 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 67 0.483 9.740 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 67 0.077 8.788 -8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.659 9.170 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.828 7.636 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.498 10.659 -8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.037 11.222 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.471 11.356 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.733 7.764 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.208 7.668 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.052 9.227 -8.844 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.454 9.834 -6.652 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.697 10.594 -6.866 1.00 0.00 C ATOM 1062 C GLU A 68 -4.288 11.043 -5.517 1.00 0.00 C ATOM 1063 O GLU A 68 -4.599 12.219 -5.311 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.730 9.714 -7.618 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.233 9.122 -8.953 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.298 8.248 -9.643 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.453 7.070 -9.264 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.995 8.742 -10.554 1.00 0.00 O ATOM 0 H GLU A 68 -2.502 8.874 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.468 11.476 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.031 8.895 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.621 10.311 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.944 9.933 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.339 8.525 -8.772 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.397 10.080 -4.597 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.001 10.300 -3.275 1.00 0.00 C ATOM 1077 C VAL A 69 -3.994 10.932 -2.289 1.00 0.00 C ATOM 1078 O VAL A 69 -4.387 11.500 -1.287 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.616 8.973 -2.697 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.649 8.379 -3.684 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.537 7.931 -2.332 1.00 0.00 C ATOM 0 H VAL A 69 -4.070 9.125 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.818 11.010 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.126 9.233 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.064 7.461 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.451 9.099 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.160 8.158 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.016 7.034 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.963 7.674 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.869 8.347 -1.578 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.692 10.816 -2.579 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.616 11.278 -1.672 1.00 0.00 C ATOM 1093 C ALA A 70 -1.512 12.801 -1.652 1.00 0.00 C ATOM 1094 O ALA A 70 -1.336 13.400 -0.592 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.275 10.664 -2.073 1.00 0.00 C ATOM 0 H ALA A 70 -2.348 10.401 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.872 10.946 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.503 11.015 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.341 9.577 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.029 10.961 -3.093 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.593 13.408 -2.844 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.531 14.874 -2.989 1.00 0.00 C ATOM 1103 C ARG A 71 -2.759 15.569 -2.349 1.00 0.00 C ATOM 1104 O ARG A 71 -2.612 16.639 -1.750 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.364 15.262 -4.486 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.499 14.783 -5.415 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.159 14.927 -6.904 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.806 16.308 -7.291 1.00 0.00 N ATOM 1109 CZ ARG A 71 -1.260 16.660 -8.470 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -1.038 15.752 -9.414 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -0.939 17.920 -8.708 1.00 0.00 N ATOM 0 H ARG A 71 -1.702 12.907 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.656 15.231 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.289 16.347 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.421 14.853 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.721 13.738 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.403 15.352 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.327 14.265 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.011 14.597 -7.498 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.989 17.050 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.282 14.775 -9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.624 16.032 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.105 18.632 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.526 18.181 -9.603 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.962 14.964 -2.467 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.205 15.561 -1.917 1.00 0.00 C ATOM 1127 C GLU A 72 -5.477 15.129 -0.460 1.00 0.00 C ATOM 1128 O GLU A 72 -5.646 15.974 0.416 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.422 15.220 -2.817 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.355 15.842 -4.226 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.642 15.631 -5.038 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -8.594 16.427 -4.891 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -7.718 14.661 -5.816 1.00 0.00 O ATOM 0 H GLU A 72 -4.101 14.068 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.057 16.641 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.498 14.137 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.332 15.561 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.160 16.911 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.515 15.409 -4.769 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.509 13.813 -0.213 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.940 13.234 1.087 1.00 0.00 C ATOM 1142 C GLU A 73 -4.794 13.160 2.102 1.00 0.00 C ATOM 1143 O GLU A 73 -5.004 13.411 3.296 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.573 11.835 0.863 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.748 11.832 -0.136 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.931 12.704 0.320 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -8.938 13.928 0.048 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.866 12.172 0.963 1.00 0.00 O ATOM 0 H GLU A 73 -5.239 13.111 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.690 13.901 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.803 11.152 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.922 11.448 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.395 12.187 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.093 10.808 -0.279 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.585 12.810 1.635 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.396 12.787 2.497 1.00 0.00 C ATOM 1157 C GLY A 74 -1.639 14.112 2.442 1.00 0.00 C ATOM 1158 O GLY A 74 -2.203 15.132 2.022 1.00 0.00 O ATOM 0 H GLY A 74 -3.407 12.540 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.694 12.580 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.736 11.977 2.187 1.00 0.00 H new ATOM 1162 N THR A 75 -0.367 14.106 2.870 1.00 0.00 N ATOM 1163 CA THR A 75 0.531 15.272 2.741 1.00 0.00 C ATOM 1164 C THR A 75 1.467 15.100 1.518 1.00 0.00 C ATOM 1165 O THR A 75 1.457 14.043 0.867 1.00 0.00 O ATOM 1166 CB THR A 75 1.376 15.472 4.047 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.235 14.344 4.274 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.492 15.693 5.287 1.00 0.00 C ATOM 0 H THR A 75 0.070 13.298 3.314 1.00 0.00 H new ATOM 0 HA THR A 75 -0.084 16.160 2.591 1.00 0.00 H new ATOM 0 HB THR A 75 1.976 16.369 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.710 13.518 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.124 15.826 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.121 16.583 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.154 14.827 5.433 1.00 0.00 H new ATOM 1176 N GLN A 76 2.287 16.142 1.226 1.00 0.00 N ATOM 1177 CA GLN A 76 3.296 16.100 0.138 1.00 0.00 C ATOM 1178 C GLN A 76 4.353 15.000 0.404 1.00 0.00 C ATOM 1179 O GLN A 76 4.965 14.484 -0.536 1.00 0.00 O ATOM 1180 CB GLN A 76 3.990 17.485 -0.027 1.00 0.00 C ATOM 1181 CG GLN A 76 5.045 17.551 -1.157 1.00 0.00 C ATOM 1182 CD GLN A 76 5.708 18.921 -1.309 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.728 19.209 -0.680 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.132 19.773 -2.147 1.00 0.00 N ATOM 0 H GLN A 76 2.268 17.027 1.733 1.00 0.00 H new ATOM 0 HA GLN A 76 2.776 15.860 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.226 18.238 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.470 17.750 0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.816 16.805 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.570 17.282 -2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.288 19.501 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.533 20.700 -2.287 1.00 0.00 H new ATOM 1193 N LYS A 77 4.550 14.657 1.694 1.00 0.00 N ATOM 1194 CA LYS A 77 5.442 13.564 2.110 1.00 0.00 C ATOM 1195 C LYS A 77 4.962 12.235 1.509 1.00 0.00 C ATOM 1196 O LYS A 77 5.731 11.543 0.857 1.00 0.00 O ATOM 1197 CB LYS A 77 5.483 13.452 3.658 1.00 0.00 C ATOM 1198 CG LYS A 77 6.362 12.293 4.191 1.00 0.00 C ATOM 1199 CD LYS A 77 6.255 12.112 5.721 1.00 0.00 C ATOM 1200 CE LYS A 77 7.069 10.908 6.229 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.887 10.678 7.682 1.00 0.00 N ATOM 0 H LYS A 77 4.094 15.132 2.473 1.00 0.00 H new ATOM 0 HA LYS A 77 6.446 13.783 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.853 14.391 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.466 13.321 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.069 11.366 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.402 12.480 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.604 13.018 6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.208 11.981 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.771 10.014 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.126 11.072 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.454 9.858 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.196 11.520 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.883 10.494 7.881 1.00 0.00 H new ATOM 1215 N ASP A 78 3.654 11.945 1.693 1.00 0.00 N ATOM 1216 CA ASP A 78 3.014 10.691 1.224 1.00 0.00 C ATOM 1217 C ASP A 78 3.091 10.592 -0.297 1.00 0.00 C ATOM 1218 O ASP A 78 3.356 9.519 -0.848 1.00 0.00 O ATOM 1219 CB ASP A 78 1.537 10.617 1.679 1.00 0.00 C ATOM 1220 CG ASP A 78 1.395 10.548 3.200 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.461 9.435 3.768 1.00 0.00 O ATOM 1222 OD2 ASP A 78 1.247 11.603 3.840 1.00 0.00 O ATOM 0 H ASP A 78 3.010 12.574 2.172 1.00 0.00 H new ATOM 0 HA ASP A 78 3.554 9.854 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.001 11.490 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.066 9.741 1.233 1.00 0.00 H new ATOM 1227 N LEU A 79 2.859 11.743 -0.947 1.00 0.00 N ATOM 1228 CA LEU A 79 2.991 11.906 -2.401 1.00 0.00 C ATOM 1229 C LEU A 79 4.405 11.515 -2.852 1.00 0.00 C ATOM 1230 O LEU A 79 4.576 10.687 -3.751 1.00 0.00 O ATOM 1231 CB LEU A 79 2.669 13.379 -2.774 1.00 0.00 C ATOM 1232 CG LEU A 79 2.782 13.758 -4.280 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.804 12.933 -5.143 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.577 15.276 -4.484 1.00 0.00 C ATOM 0 H LEU A 79 2.571 12.597 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 79 2.288 11.250 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.655 13.600 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.338 14.028 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 79 3.791 13.512 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.909 13.222 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.030 11.872 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.782 13.121 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.661 15.515 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.588 15.561 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.337 15.824 -3.927 1.00 0.00 H new ATOM 1246 N SER A 80 5.403 12.079 -2.152 1.00 0.00 N ATOM 1247 CA SER A 80 6.823 11.888 -2.444 1.00 0.00 C ATOM 1248 C SER A 80 7.253 10.422 -2.229 1.00 0.00 C ATOM 1249 O SER A 80 8.100 9.925 -2.968 1.00 0.00 O ATOM 1250 CB SER A 80 7.663 12.847 -1.565 1.00 0.00 C ATOM 1251 OG SER A 80 9.051 12.737 -1.830 1.00 0.00 O ATOM 0 H SER A 80 5.236 12.691 -1.353 1.00 0.00 H new ATOM 0 HA SER A 80 6.997 12.120 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.341 13.874 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.477 12.630 -0.513 1.00 0.00 H new ATOM 0 HG SER A 80 9.544 13.360 -1.256 1.00 0.00 H new ATOM 1257 N GLU A 81 6.647 9.742 -1.228 1.00 0.00 N ATOM 1258 CA GLU A 81 6.974 8.341 -0.892 1.00 0.00 C ATOM 1259 C GLU A 81 6.561 7.394 -2.021 1.00 0.00 C ATOM 1260 O GLU A 81 7.324 6.522 -2.415 1.00 0.00 O ATOM 1261 CB GLU A 81 6.283 7.888 0.432 1.00 0.00 C ATOM 1262 CG GLU A 81 6.669 8.696 1.683 1.00 0.00 C ATOM 1263 CD GLU A 81 8.185 8.802 1.901 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.790 7.849 2.420 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.784 9.839 1.550 1.00 0.00 O ATOM 0 H GLU A 81 5.923 10.148 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 81 8.055 8.296 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.203 7.949 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.523 6.840 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.251 9.699 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.216 8.232 2.559 1.00 0.00 H new ATOM 1272 N LEU A 82 5.338 7.591 -2.518 1.00 0.00 N ATOM 1273 CA LEU A 82 4.715 6.704 -3.521 1.00 0.00 C ATOM 1274 C LEU A 82 5.329 6.900 -4.918 1.00 0.00 C ATOM 1275 O LEU A 82 5.457 5.940 -5.690 1.00 0.00 O ATOM 1276 CB LEU A 82 3.194 6.954 -3.510 1.00 0.00 C ATOM 1277 CG LEU A 82 2.527 6.690 -2.119 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.085 7.189 -2.078 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.608 5.203 -1.728 1.00 0.00 C ATOM 0 H LEU A 82 4.744 8.372 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 82 4.909 5.663 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.001 7.985 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.723 6.314 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 82 3.092 7.260 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.658 6.987 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.066 8.262 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.500 6.675 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.135 5.056 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.093 4.601 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.653 4.898 -1.673 1.00 0.00 H new ATOM 1291 N GLN A 83 5.724 8.151 -5.215 1.00 0.00 N ATOM 1292 CA GLN A 83 6.452 8.498 -6.452 1.00 0.00 C ATOM 1293 C GLN A 83 7.856 7.865 -6.429 1.00 0.00 C ATOM 1294 O GLN A 83 8.294 7.252 -7.411 1.00 0.00 O ATOM 1295 CB GLN A 83 6.551 10.042 -6.599 1.00 0.00 C ATOM 1296 CG GLN A 83 5.191 10.737 -6.832 1.00 0.00 C ATOM 1297 CD GLN A 83 5.233 12.267 -6.769 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.474 12.943 -7.460 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.068 12.826 -5.903 1.00 0.00 N ATOM 0 H GLN A 83 5.548 8.950 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 83 5.906 8.105 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.009 10.454 -5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.215 10.276 -7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.808 10.438 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.482 10.376 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.687 12.241 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.091 13.840 -5.798 1.00 0.00 H new ATOM 1308 N ASP A 84 8.528 8.004 -5.272 1.00 0.00 N ATOM 1309 CA ASP A 84 9.873 7.448 -5.037 1.00 0.00 C ATOM 1310 C ASP A 84 9.851 5.917 -5.122 1.00 0.00 C ATOM 1311 O ASP A 84 10.719 5.308 -5.749 1.00 0.00 O ATOM 1312 CB ASP A 84 10.393 7.885 -3.645 1.00 0.00 C ATOM 1313 CG ASP A 84 11.822 7.395 -3.336 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.781 8.115 -3.658 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.994 6.285 -2.781 1.00 0.00 O ATOM 0 H ASP A 84 8.151 8.508 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 84 10.540 7.831 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.370 8.973 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.715 7.508 -2.879 1.00 0.00 H new ATOM 1320 N ALA A 85 8.831 5.322 -4.497 1.00 0.00 N ATOM 1321 CA ALA A 85 8.727 3.876 -4.318 1.00 0.00 C ATOM 1322 C ALA A 85 8.515 3.142 -5.647 1.00 0.00 C ATOM 1323 O ALA A 85 9.082 2.069 -5.850 1.00 0.00 O ATOM 1324 CB ALA A 85 7.623 3.538 -3.310 1.00 0.00 C ATOM 0 H ALA A 85 8.047 5.839 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 85 9.678 3.525 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.559 2.457 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.854 3.998 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.669 3.919 -3.674 1.00 0.00 H new ATOM 1330 N LYS A 86 7.687 3.719 -6.538 1.00 0.00 N ATOM 1331 CA LYS A 86 7.459 3.138 -7.873 1.00 0.00 C ATOM 1332 C LYS A 86 8.704 3.247 -8.773 1.00 0.00 C ATOM 1333 O LYS A 86 9.034 2.279 -9.460 1.00 0.00 O ATOM 1334 CB LYS A 86 6.215 3.742 -8.580 1.00 0.00 C ATOM 1335 CG LYS A 86 6.284 5.254 -8.870 1.00 0.00 C ATOM 1336 CD LYS A 86 5.087 5.764 -9.698 1.00 0.00 C ATOM 1337 CE LYS A 86 5.024 5.134 -11.095 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.923 5.694 -11.916 1.00 0.00 N ATOM 0 H LYS A 86 7.169 4.579 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 86 7.258 2.080 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.064 3.216 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.338 3.548 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.324 5.798 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.208 5.474 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.162 5.547 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.153 6.848 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.973 5.294 -11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.891 4.056 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.920 5.238 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.014 5.519 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.062 6.718 -12.031 1.00 0.00 H new ATOM 1352 N LEU A 87 9.419 4.405 -8.759 1.00 0.00 N ATOM 1353 CA LEU A 87 10.580 4.603 -9.661 1.00 0.00 C ATOM 1354 C LEU A 87 11.747 3.671 -9.284 1.00 0.00 C ATOM 1355 O LEU A 87 12.497 3.226 -10.160 1.00 0.00 O ATOM 1356 CB LEU A 87 10.999 6.118 -9.760 1.00 0.00 C ATOM 1357 CG LEU A 87 11.414 6.884 -8.452 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.851 6.565 -7.984 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.225 8.414 -8.610 1.00 0.00 C ATOM 0 H LEU A 87 9.216 5.196 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 87 10.273 4.318 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.834 6.183 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.166 6.660 -10.208 1.00 0.00 H new ATOM 0 HG LEU A 87 10.743 6.522 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.071 7.127 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.939 5.498 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.558 6.844 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.521 8.914 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.843 8.774 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.178 8.631 -8.821 1.00 0.00 H new ATOM 1371 N LYS A 88 11.915 3.396 -7.972 1.00 0.00 N ATOM 1372 CA LYS A 88 12.920 2.430 -7.494 1.00 0.00 C ATOM 1373 C LYS A 88 12.460 0.969 -7.710 1.00 0.00 C ATOM 1374 O LYS A 88 13.298 0.095 -7.988 1.00 0.00 O ATOM 1375 CB LYS A 88 13.355 2.743 -6.027 1.00 0.00 C ATOM 1376 CG LYS A 88 12.262 2.729 -4.920 1.00 0.00 C ATOM 1377 CD LYS A 88 12.048 1.352 -4.254 1.00 0.00 C ATOM 1378 CE LYS A 88 11.126 1.424 -3.024 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.052 0.136 -2.298 1.00 0.00 N ATOM 0 H LYS A 88 11.367 3.830 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 88 13.817 2.543 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.123 2.023 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.823 3.727 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.531 3.453 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.318 3.060 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.621 0.663 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.013 0.943 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.487 2.199 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.125 1.718 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.077 -0.224 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.689 -0.553 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.338 0.278 -1.308 1.00 0.00 H new ATOM 1393 N ALA A 89 11.132 0.705 -7.577 1.00 0.00 N ATOM 1394 CA ALA A 89 10.531 -0.624 -7.854 1.00 0.00 C ATOM 1395 C ALA A 89 10.777 -1.093 -9.299 1.00 0.00 C ATOM 1396 O ALA A 89 10.921 -2.291 -9.538 1.00 0.00 O ATOM 1397 CB ALA A 89 9.022 -0.613 -7.547 1.00 0.00 C ATOM 0 H ALA A 89 10.453 1.405 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 89 11.026 -1.337 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.601 -1.596 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.866 -0.368 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.529 0.133 -8.170 1.00 0.00 H new ATOM 1403 N GLU A 90 10.839 -0.134 -10.247 1.00 0.00 N ATOM 1404 CA GLU A 90 11.150 -0.394 -11.683 1.00 0.00 C ATOM 1405 C GLU A 90 12.424 -1.264 -11.880 1.00 0.00 C ATOM 1406 O GLU A 90 12.529 -2.003 -12.867 1.00 0.00 O ATOM 1407 CB GLU A 90 11.315 0.968 -12.430 1.00 0.00 C ATOM 1408 CG GLU A 90 10.026 1.816 -12.546 1.00 0.00 C ATOM 1409 CD GLU A 90 9.035 1.298 -13.609 1.00 0.00 C ATOM 1410 OE1 GLU A 90 8.352 0.287 -13.367 1.00 0.00 O ATOM 1411 OE2 GLU A 90 8.941 1.897 -14.703 1.00 0.00 O ATOM 0 H GLU A 90 10.675 0.852 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 90 10.317 -0.960 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 90 12.073 1.557 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.692 0.770 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.527 1.837 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.298 2.844 -12.786 1.00 0.00 H new ATOM 1418 N GLY A 91 13.352 -1.201 -10.905 1.00 0.00 N ATOM 1419 CA GLY A 91 14.642 -1.897 -10.983 1.00 0.00 C ATOM 1420 C GLY A 91 14.655 -3.270 -10.307 1.00 0.00 C ATOM 1421 O GLY A 91 15.733 -3.791 -9.994 1.00 0.00 O ATOM 0 H GLY A 91 13.225 -0.667 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.914 -2.018 -12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.408 -1.271 -10.525 1.00 0.00 H new ATOM 1425 N LEU A 92 13.462 -3.856 -10.064 1.00 0.00 N ATOM 1426 CA LEU A 92 13.334 -5.171 -9.397 1.00 0.00 C ATOM 1427 C LEU A 92 13.299 -6.325 -10.413 1.00 0.00 C ATOM 1428 O LEU A 92 14.330 -6.970 -10.647 1.00 0.00 O ATOM 1429 CB LEU A 92 12.073 -5.212 -8.493 1.00 0.00 C ATOM 1430 CG LEU A 92 12.118 -4.323 -7.224 1.00 0.00 C ATOM 1431 CD1 LEU A 92 10.757 -4.328 -6.515 1.00 0.00 C ATOM 1432 CD2 LEU A 92 13.254 -4.767 -6.265 1.00 0.00 C ATOM 0 H LEU A 92 12.569 -3.436 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 92 14.218 -5.303 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.212 -4.914 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.905 -6.244 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 92 12.336 -3.301 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.807 -3.699 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.994 -3.942 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.502 -5.347 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.259 -4.124 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.089 -5.800 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.213 -4.689 -6.777 1.00 0.00 H new ATOM 1444 N GLU A 93 12.111 -6.562 -11.019 1.00 0.00 N ATOM 1445 CA GLU A 93 11.853 -7.747 -11.859 1.00 0.00 C ATOM 1446 C GLU A 93 12.815 -7.807 -13.069 1.00 0.00 C ATOM 1447 O GLU A 93 13.404 -8.855 -13.356 1.00 0.00 O ATOM 1448 CB GLU A 93 10.365 -7.785 -12.321 1.00 0.00 C ATOM 1449 CG GLU A 93 9.899 -6.562 -13.145 1.00 0.00 C ATOM 1450 CD GLU A 93 8.514 -6.752 -13.786 1.00 0.00 C ATOM 1451 OE1 GLU A 93 8.412 -7.526 -14.762 1.00 0.00 O ATOM 1452 OE2 GLU A 93 7.533 -6.122 -13.332 1.00 0.00 O ATOM 0 H GLU A 93 11.309 -5.937 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 93 12.042 -8.631 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.209 -8.685 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.730 -7.872 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.875 -5.685 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.630 -6.361 -13.928 1.00 0.00 H new ATOM 1459 N HIS A 94 12.963 -6.659 -13.752 1.00 0.00 N ATOM 1460 CA HIS A 94 13.854 -6.482 -14.911 1.00 0.00 C ATOM 1461 C HIS A 94 14.341 -5.024 -14.923 1.00 0.00 C ATOM 1462 O HIS A 94 13.524 -4.099 -14.821 1.00 0.00 O ATOM 1463 CB HIS A 94 13.136 -6.789 -16.268 1.00 0.00 C ATOM 1464 CG HIS A 94 12.644 -8.208 -16.434 1.00 0.00 C ATOM 1465 ND1 HIS A 94 13.435 -9.222 -16.929 1.00 0.00 N ATOM 1466 CD2 HIS A 94 11.445 -8.781 -16.159 1.00 0.00 C ATOM 1467 CE1 HIS A 94 12.750 -10.345 -16.952 1.00 0.00 C ATOM 1468 NE2 HIS A 94 11.541 -10.106 -16.492 1.00 0.00 N ATOM 0 H HIS A 94 12.455 -5.809 -13.508 1.00 0.00 H new ATOM 0 HA HIS A 94 14.683 -7.183 -14.814 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.287 -6.114 -16.371 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.824 -6.563 -17.083 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.576 -8.284 -15.753 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.118 -11.302 -17.291 1.00 0.00 H new ATOM 0 HE2 HIS A 94 10.796 -10.796 -16.398 1.00 0.00 H new ATOM 1477 N HIS A 95 15.665 -4.827 -15.019 1.00 0.00 N ATOM 1478 CA HIS A 95 16.265 -3.511 -15.289 1.00 0.00 C ATOM 1479 C HIS A 95 15.991 -3.166 -16.753 1.00 0.00 C ATOM 1480 O HIS A 95 16.690 -3.667 -17.633 1.00 0.00 O ATOM 1481 CB HIS A 95 17.785 -3.519 -14.991 1.00 0.00 C ATOM 1482 CG HIS A 95 18.108 -3.709 -13.537 1.00 0.00 C ATOM 1483 ND1 HIS A 95 18.573 -4.896 -13.004 1.00 0.00 N ATOM 1484 CD2 HIS A 95 18.026 -2.847 -12.503 1.00 0.00 C ATOM 1485 CE1 HIS A 95 18.753 -4.749 -11.709 1.00 0.00 C ATOM 1486 NE2 HIS A 95 18.432 -3.515 -11.380 1.00 0.00 N ATOM 0 H HIS A 95 16.350 -5.575 -14.912 1.00 0.00 H new ATOM 0 HA HIS A 95 15.824 -2.757 -14.638 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.256 -4.315 -15.567 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.219 -2.579 -15.332 1.00 0.00 H new ATOM 0 HD2 HIS A 95 17.700 -1.819 -12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 95 19.105 -5.512 -11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 95 18.478 -3.121 -10.440 1.00 0.00 H new ATOM 1495 N HIS A 96 14.949 -2.331 -16.972 1.00 0.00 N ATOM 1496 CA HIS A 96 14.272 -2.131 -18.275 1.00 0.00 C ATOM 1497 C HIS A 96 15.252 -1.986 -19.456 1.00 0.00 C ATOM 1498 O HIS A 96 15.830 -0.917 -19.692 1.00 0.00 O ATOM 1499 CB HIS A 96 13.282 -0.939 -18.198 1.00 0.00 C ATOM 1500 CG HIS A 96 12.078 -1.222 -17.331 1.00 0.00 C ATOM 1501 ND1 HIS A 96 11.887 -0.670 -16.086 1.00 0.00 N ATOM 1502 CD2 HIS A 96 11.017 -2.037 -17.539 1.00 0.00 C ATOM 1503 CE1 HIS A 96 10.764 -1.126 -15.574 1.00 0.00 C ATOM 1504 NE2 HIS A 96 10.214 -1.956 -16.435 1.00 0.00 N ATOM 0 H HIS A 96 14.545 -1.763 -16.228 1.00 0.00 H new ATOM 0 HA HIS A 96 13.705 -3.039 -18.478 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.805 -0.065 -17.809 1.00 0.00 H new ATOM 0 HB3 HIS A 96 12.946 -0.688 -19.204 1.00 0.00 H new ATOM 0 HD2 HIS A 96 10.838 -2.641 -18.416 1.00 0.00 H new ATOM 0 HE1 HIS A 96 10.360 -0.863 -14.607 1.00 0.00 H new ATOM 0 HE2 HIS A 96 9.335 -2.456 -16.301 1.00 0.00 H new ATOM 1513 N HIS A 97 15.462 -3.129 -20.131 1.00 0.00 N ATOM 1514 CA HIS A 97 16.323 -3.271 -21.301 1.00 0.00 C ATOM 1515 C HIS A 97 15.419 -3.636 -22.482 1.00 0.00 C ATOM 1516 O HIS A 97 15.038 -4.801 -22.633 1.00 0.00 O ATOM 1517 CB HIS A 97 17.387 -4.379 -21.025 1.00 0.00 C ATOM 1518 CG HIS A 97 18.390 -4.604 -22.133 1.00 0.00 C ATOM 1519 ND1 HIS A 97 19.660 -4.068 -22.112 1.00 0.00 N ATOM 1520 CD2 HIS A 97 18.315 -5.329 -23.281 1.00 0.00 C ATOM 1521 CE1 HIS A 97 20.314 -4.448 -23.191 1.00 0.00 C ATOM 1522 NE2 HIS A 97 19.523 -5.212 -23.914 1.00 0.00 N ATOM 0 H HIS A 97 15.018 -4.007 -19.861 1.00 0.00 H new ATOM 0 HA HIS A 97 16.862 -2.351 -21.525 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.928 -4.121 -20.115 1.00 0.00 H new ATOM 0 HB3 HIS A 97 16.868 -5.318 -20.832 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.461 -5.892 -23.629 1.00 0.00 H new ATOM 0 HE1 HIS A 97 21.329 -4.178 -23.440 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.770 -5.647 -24.803 1.00 0.00 H new ATOM 1531 N HIS A 98 15.020 -2.630 -23.273 1.00 0.00 N ATOM 1532 CA HIS A 98 14.123 -2.831 -24.418 1.00 0.00 C ATOM 1533 C HIS A 98 14.956 -3.261 -25.638 1.00 0.00 C ATOM 1534 O HIS A 98 15.528 -2.414 -26.332 1.00 0.00 O ATOM 1535 CB HIS A 98 13.311 -1.536 -24.711 1.00 0.00 C ATOM 1536 CG HIS A 98 12.188 -1.712 -25.712 1.00 0.00 C ATOM 1537 ND1 HIS A 98 10.863 -1.767 -25.347 1.00 0.00 N ATOM 1538 CD2 HIS A 98 12.199 -1.859 -27.061 1.00 0.00 C ATOM 1539 CE1 HIS A 98 10.117 -1.937 -26.417 1.00 0.00 C ATOM 1540 NE2 HIS A 98 10.900 -1.997 -27.472 1.00 0.00 N ATOM 0 H HIS A 98 15.308 -1.661 -23.138 1.00 0.00 H new ATOM 0 HA HIS A 98 13.404 -3.617 -24.188 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.892 -1.165 -23.775 1.00 0.00 H new ATOM 0 HB3 HIS A 98 13.993 -0.770 -25.080 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.073 -1.866 -27.695 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.040 -2.014 -26.427 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.591 -2.125 -28.436 1.00 0.00 H new ATOM 1549 N HIS A 99 15.072 -4.581 -25.848 1.00 0.00 N ATOM 1550 CA HIS A 99 15.716 -5.151 -27.041 1.00 0.00 C ATOM 1551 C HIS A 99 14.696 -5.134 -28.200 1.00 0.00 C ATOM 1552 O HIS A 99 13.666 -5.831 -28.086 1.00 0.00 O ATOM 1553 CB HIS A 99 16.210 -6.597 -26.752 1.00 0.00 C ATOM 1554 CG HIS A 99 16.932 -7.251 -27.904 1.00 0.00 C ATOM 1555 ND1 HIS A 99 18.267 -7.043 -28.166 1.00 0.00 N ATOM 1556 CD2 HIS A 99 16.496 -8.111 -28.864 1.00 0.00 C ATOM 1557 CE1 HIS A 99 18.620 -7.728 -29.233 1.00 0.00 C ATOM 1558 NE2 HIS A 99 17.564 -8.389 -29.672 1.00 0.00 N ATOM 1559 OXT HIS A 99 14.920 -4.435 -29.208 1.00 0.00 O ATOM 0 H HIS A 99 14.722 -5.283 -25.196 1.00 0.00 H new ATOM 0 HA HIS A 99 16.588 -4.558 -27.316 1.00 0.00 H new ATOM 0 HB2 HIS A 99 16.874 -6.575 -25.888 1.00 0.00 H new ATOM 0 HB3 HIS A 99 15.353 -7.213 -26.479 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.494 -8.501 -28.968 1.00 0.00 H new ATOM 0 HE1 HIS A 99 19.605 -7.746 -29.675 1.00 0.00 H new ATOM 0 HE2 HIS A 99 17.548 -9.007 -30.483 1.00 0.00 H new TER 1568 HIS A 99