USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 392 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 Single : X 1 GLY N :NH3+ -115:sc= 0.0818 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot 87:sc= 0.633 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= -1.99! C(o=-2!,f=-7.2!) USER MOD Single : X 17 MET CE :methyl 138:sc= -1.72 (180deg=-3.43!) USER MOD Single : X 19 SER OG : rot 180:sc= 0 USER MOD Single : X 20 MET CE :methyl 163:sc= -0.104 (180deg=-0.568) USER MOD Single : X 23 SER OG : rot 180:sc= -0.0649 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 34 GLN : amide:sc= 0.319 K(o=0.32,f=-2.9!) USER MOD Single : X 35 THR OG1 : rot -95:sc= 1.2 USER MOD Single : X 36 LYS NZ :NH3+ -164:sc= -0.413 (180deg=-0.935!) USER MOD Single : X 37 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.5) USER MOD Single : X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 46 THR OG1 : rot 72:sc= 2.07 USER MOD Single : X 48 GLN : amide:sc= 0.506 K(o=0.51,f=-0.0033) USER MOD Single : X 49 TYR OH : rot 30:sc= 0 USER MOD Single : X 50 SER OG : rot -45:sc= 0.281 USER MOD Single : X 51 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.59) USER MOD Single : X 52 HIS : no HE2:sc= -0.108 X(o=-0.11,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 20.231 0.389 2.503 1.00 0.00 N ATOM 2 CA GLY X 1 21.680 0.675 2.645 1.00 0.00 C ATOM 3 C GLY X 1 22.033 2.075 2.193 1.00 0.00 C ATOM 4 O GLY X 1 21.202 2.775 1.611 1.00 0.00 O ATOM 0 H1 GLY X 1 19.812 0.242 3.444 1.00 0.00 H new ATOM 0 H2 GLY X 1 19.763 1.192 2.037 1.00 0.00 H new ATOM 0 H3 GLY X 1 20.101 -0.468 1.929 1.00 0.00 H new ATOM 0 HA2 GLY X 1 21.974 0.547 3.687 1.00 0.00 H new ATOM 0 HA3 GLY X 1 22.250 -0.048 2.062 1.00 0.00 H new ATOM 10 N SER X 2 23.257 2.490 2.484 1.00 0.00 N ATOM 11 CA SER X 2 23.726 3.823 2.136 1.00 0.00 C ATOM 12 C SER X 2 24.477 3.801 0.804 1.00 0.00 C ATOM 13 O SER X 2 24.917 2.740 0.357 1.00 0.00 O ATOM 14 CB SER X 2 24.627 4.353 3.251 1.00 0.00 C ATOM 15 OG SER X 2 23.968 4.285 4.509 1.00 0.00 O ATOM 0 H SER X 2 23.949 1.916 2.965 1.00 0.00 H new ATOM 0 HA SER X 2 22.867 4.484 2.025 1.00 0.00 H new ATOM 0 HB2 SER X 2 25.549 3.772 3.287 1.00 0.00 H new ATOM 0 HB3 SER X 2 24.908 5.384 3.038 1.00 0.00 H new ATOM 0 HG SER X 2 24.563 4.627 5.209 1.00 0.00 H new ATOM 21 N PRO X 3 24.588 4.965 0.125 1.00 0.00 N ATOM 22 CA PRO X 3 25.251 5.065 -1.187 1.00 0.00 C ATOM 23 C PRO X 3 26.670 4.501 -1.168 1.00 0.00 C ATOM 24 O PRO X 3 27.475 4.851 -0.300 1.00 0.00 O ATOM 25 CB PRO X 3 25.284 6.573 -1.455 1.00 0.00 C ATOM 26 CG PRO X 3 24.145 7.122 -0.669 1.00 0.00 C ATOM 27 CD PRO X 3 24.037 6.264 0.561 1.00 0.00 C ATOM 0 HA PRO X 3 24.726 4.491 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO X 3 26.231 7.011 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO X 3 25.172 6.789 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO X 3 24.321 8.164 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO X 3 23.222 7.092 -1.248 1.00 0.00 H new ATOM 0 HD2 PRO X 3 24.604 6.682 1.393 1.00 0.00 H new ATOM 0 HD3 PRO X 3 23.004 6.170 0.895 1.00 0.00 H new ATOM 35 N PRO X 4 26.982 3.576 -2.094 1.00 0.00 N ATOM 36 CA PRO X 4 28.285 2.903 -2.152 1.00 0.00 C ATOM 37 C PRO X 4 29.403 3.790 -2.706 1.00 0.00 C ATOM 38 O PRO X 4 30.252 3.326 -3.469 1.00 0.00 O ATOM 39 CB PRO X 4 28.043 1.709 -3.089 1.00 0.00 C ATOM 40 CG PRO X 4 26.567 1.663 -3.325 1.00 0.00 C ATOM 41 CD PRO X 4 26.070 3.064 -3.123 1.00 0.00 C ATOM 0 HA PRO X 4 28.622 2.623 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO X 4 28.584 1.833 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO X 4 28.395 0.781 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO X 4 26.344 1.312 -4.333 1.00 0.00 H new ATOM 0 HG3 PRO X 4 26.083 0.974 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO X 4 26.123 3.650 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO X 4 25.032 3.083 -2.792 1.00 0.00 H new ATOM 49 N GLU X 5 29.416 5.055 -2.299 1.00 0.00 N ATOM 50 CA GLU X 5 30.452 5.992 -2.739 1.00 0.00 C ATOM 51 C GLU X 5 30.595 7.170 -1.781 1.00 0.00 C ATOM 52 O GLU X 5 31.220 8.178 -2.113 1.00 0.00 O ATOM 53 CB GLU X 5 30.124 6.515 -4.139 1.00 0.00 C ATOM 54 CG GLU X 5 28.760 7.179 -4.230 1.00 0.00 C ATOM 55 CD GLU X 5 28.486 7.755 -5.596 1.00 0.00 C ATOM 56 OE1 GLU X 5 29.319 7.568 -6.500 1.00 0.00 O ATOM 57 OE2 GLU X 5 27.428 8.388 -5.763 1.00 0.00 O ATOM 0 H GLU X 5 28.724 5.457 -1.667 1.00 0.00 H new ATOM 0 HA GLU X 5 31.398 5.450 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU X 5 30.889 7.230 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU X 5 30.165 5.687 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU X 5 27.988 6.450 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU X 5 28.696 7.973 -3.486 1.00 0.00 H new ATOM 64 N ALA X 6 29.985 7.048 -0.609 1.00 0.00 N ATOM 65 CA ALA X 6 29.997 8.116 0.386 1.00 0.00 C ATOM 66 C ALA X 6 29.368 7.625 1.672 1.00 0.00 C ATOM 67 O ALA X 6 28.921 8.414 2.505 1.00 0.00 O ATOM 68 CB ALA X 6 29.257 9.346 -0.120 1.00 0.00 C ATOM 0 H ALA X 6 29.472 6.215 -0.322 1.00 0.00 H new ATOM 0 HA ALA X 6 31.033 8.398 0.573 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.282 10.125 0.642 1.00 0.00 H new ATOM 0 HB2 ALA X 6 29.737 9.711 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.221 9.084 -0.337 1.00 0.00 H new ATOM 74 N ASP X 7 29.450 6.323 1.865 1.00 0.00 N ATOM 75 CA ASP X 7 29.016 5.695 3.096 1.00 0.00 C ATOM 76 C ASP X 7 30.061 5.996 4.151 1.00 0.00 C ATOM 77 O ASP X 7 31.221 6.141 3.799 1.00 0.00 O ATOM 78 CB ASP X 7 28.881 4.176 2.852 1.00 0.00 C ATOM 79 CG ASP X 7 28.441 3.384 4.065 1.00 0.00 C ATOM 80 OD1 ASP X 7 29.244 3.222 5.003 1.00 0.00 O ATOM 81 OD2 ASP X 7 27.288 2.915 4.075 1.00 0.00 O ATOM 0 H ASP X 7 29.819 5.671 1.173 1.00 0.00 H new ATOM 0 HA ASP X 7 28.049 6.072 3.430 1.00 0.00 H new ATOM 0 HB2 ASP X 7 28.165 4.012 2.047 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.840 3.789 2.509 1.00 0.00 H new ATOM 86 N PRO X 8 29.690 6.115 5.438 1.00 0.00 N ATOM 87 CA PRO X 8 30.657 6.404 6.508 1.00 0.00 C ATOM 88 C PRO X 8 31.912 5.524 6.421 1.00 0.00 C ATOM 89 O PRO X 8 32.982 5.891 6.900 1.00 0.00 O ATOM 90 CB PRO X 8 29.870 6.084 7.778 1.00 0.00 C ATOM 91 CG PRO X 8 28.446 6.335 7.415 1.00 0.00 C ATOM 92 CD PRO X 8 28.313 5.997 5.952 1.00 0.00 C ATOM 0 HA PRO X 8 31.028 7.428 6.459 1.00 0.00 H new ATOM 0 HB2 PRO X 8 30.023 5.050 8.089 1.00 0.00 H new ATOM 0 HB3 PRO X 8 30.184 6.716 8.608 1.00 0.00 H new ATOM 0 HG2 PRO X 8 27.778 5.720 8.018 1.00 0.00 H new ATOM 0 HG3 PRO X 8 28.176 7.375 7.599 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.917 4.992 5.808 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.636 6.683 5.443 1.00 0.00 H new ATOM 100 N ARG X 9 31.765 4.366 5.789 1.00 0.00 N ATOM 101 CA ARG X 9 32.866 3.430 5.612 1.00 0.00 C ATOM 102 C ARG X 9 33.592 3.625 4.280 1.00 0.00 C ATOM 103 O ARG X 9 34.732 3.202 4.126 1.00 0.00 O ATOM 104 CB ARG X 9 32.331 2.010 5.674 1.00 0.00 C ATOM 105 CG ARG X 9 31.738 1.646 7.022 1.00 0.00 C ATOM 106 CD ARG X 9 32.707 1.947 8.151 1.00 0.00 C ATOM 107 NE ARG X 9 33.990 1.262 7.982 1.00 0.00 N ATOM 108 CZ ARG X 9 35.055 1.508 8.743 1.00 0.00 C ATOM 109 NH1 ARG X 9 35.002 2.466 9.661 1.00 0.00 N ATOM 110 NH2 ARG X 9 36.173 0.817 8.570 1.00 0.00 N ATOM 0 H ARG X 9 30.882 4.051 5.386 1.00 0.00 H new ATOM 0 HA ARG X 9 33.582 3.616 6.412 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.569 1.883 4.905 1.00 0.00 H new ATOM 0 HB3 ARG X 9 33.138 1.315 5.441 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.813 2.201 7.176 1.00 0.00 H new ATOM 0 HG3 ARG X 9 31.480 0.587 7.034 1.00 0.00 H new ATOM 0 HD2 ARG X 9 32.876 3.022 8.204 1.00 0.00 H new ATOM 0 HD3 ARG X 9 32.260 1.648 9.099 1.00 0.00 H new ATOM 0 HE ARG X 9 34.072 0.562 7.245 1.00 0.00 H new ATOM 0 HH11 ARG X 9 34.148 3.010 9.781 1.00 0.00 H new ATOM 0 HH12 ARG X 9 35.815 2.657 10.246 1.00 0.00 H new ATOM 0 HH21 ARG X 9 36.220 0.094 7.852 1.00 0.00 H new ATOM 0 HH22 ARG X 9 36.986 1.008 9.155 1.00 0.00 H new ATOM 124 N LEU X 10 32.913 4.205 3.305 1.00 0.00 N ATOM 125 CA LEU X 10 33.473 4.386 1.977 1.00 0.00 C ATOM 126 C LEU X 10 34.018 5.791 1.807 1.00 0.00 C ATOM 127 O LEU X 10 35.026 5.991 1.152 1.00 0.00 O ATOM 128 CB LEU X 10 32.419 4.078 0.919 1.00 0.00 C ATOM 129 CG LEU X 10 32.104 2.591 0.761 1.00 0.00 C ATOM 130 CD1 LEU X 10 30.786 2.393 0.042 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.221 1.888 0.006 1.00 0.00 C ATOM 0 H LEU X 10 31.963 4.562 3.411 1.00 0.00 H new ATOM 0 HA LEU X 10 34.304 3.691 1.852 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.501 4.607 1.173 1.00 0.00 H new ATOM 0 HB3 LEU X 10 32.758 4.470 -0.040 1.00 0.00 H new ATOM 0 HG LEU X 10 32.023 2.155 1.757 1.00 0.00 H new ATOM 0 HD11 LEU X 10 30.583 1.327 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU X 10 29.985 2.862 0.614 1.00 0.00 H new ATOM 0 HD13 LEU X 10 30.839 2.847 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU X 10 32.980 0.830 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU X 10 33.329 2.334 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.156 1.995 0.556 1.00 0.00 H new ATOM 143 N ILE X 11 33.448 6.740 2.524 1.00 0.00 N ATOM 144 CA ILE X 11 34.013 8.073 2.556 1.00 0.00 C ATOM 145 C ILE X 11 35.251 8.065 3.450 1.00 0.00 C ATOM 146 O ILE X 11 36.129 8.919 3.344 1.00 0.00 O ATOM 147 CB ILE X 11 32.989 9.115 3.057 1.00 0.00 C ATOM 148 CG1 ILE X 11 33.503 10.526 2.793 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.691 8.930 4.537 1.00 0.00 C ATOM 150 CD1 ILE X 11 33.603 10.873 1.323 1.00 0.00 C ATOM 0 H ILE X 11 32.605 6.615 3.085 1.00 0.00 H new ATOM 0 HA ILE X 11 34.290 8.360 1.542 1.00 0.00 H new ATOM 0 HB ILE X 11 32.060 8.966 2.507 1.00 0.00 H new ATOM 0 HG12 ILE X 11 32.841 11.241 3.282 1.00 0.00 H new ATOM 0 HG13 ILE X 11 34.486 10.637 3.251 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.967 9.679 4.859 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.281 7.934 4.704 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.611 9.045 5.110 1.00 0.00 H new ATOM 0 HD11 ILE X 11 33.976 11.892 1.214 1.00 0.00 H new ATOM 0 HD12 ILE X 11 34.288 10.182 0.832 1.00 0.00 H new ATOM 0 HD13 ILE X 11 32.618 10.796 0.863 1.00 0.00 H new ATOM 162 N GLU X 12 35.348 7.025 4.266 1.00 0.00 N ATOM 163 CA GLU X 12 36.515 6.826 5.112 1.00 0.00 C ATOM 164 C GLU X 12 37.563 5.973 4.402 1.00 0.00 C ATOM 165 O GLU X 12 38.753 6.283 4.435 1.00 0.00 O ATOM 166 CB GLU X 12 36.113 6.149 6.427 1.00 0.00 C ATOM 167 CG GLU X 12 36.446 6.957 7.672 1.00 0.00 C ATOM 168 CD GLU X 12 35.539 8.150 7.859 1.00 0.00 C ATOM 169 OE1 GLU X 12 35.557 9.055 7.005 1.00 0.00 O ATOM 170 OE2 GLU X 12 34.807 8.182 8.867 1.00 0.00 O ATOM 0 H GLU X 12 34.631 6.305 4.360 1.00 0.00 H new ATOM 0 HA GLU X 12 36.943 7.805 5.326 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.041 5.955 6.410 1.00 0.00 H new ATOM 0 HB3 GLU X 12 36.611 5.182 6.492 1.00 0.00 H new ATOM 0 HG2 GLU X 12 36.374 6.312 8.548 1.00 0.00 H new ATOM 0 HG3 GLU X 12 37.479 7.299 7.612 1.00 0.00 H new ATOM 177 N SER X 13 37.138 4.808 3.933 1.00 0.00 N ATOM 178 CA SER X 13 38.073 3.813 3.422 1.00 0.00 C ATOM 179 C SER X 13 38.252 3.876 1.905 1.00 0.00 C ATOM 180 O SER X 13 39.293 3.476 1.397 1.00 0.00 O ATOM 181 CB SER X 13 37.605 2.415 3.821 1.00 0.00 C ATOM 182 OG SER X 13 37.191 2.385 5.177 1.00 0.00 O ATOM 0 H SER X 13 36.158 4.529 3.895 1.00 0.00 H new ATOM 0 HA SER X 13 39.043 4.037 3.866 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.780 2.107 3.178 1.00 0.00 H new ATOM 0 HB3 SER X 13 38.413 1.700 3.668 1.00 0.00 H new ATOM 0 HG SER X 13 36.245 2.634 5.236 1.00 0.00 H new ATOM 188 N LEU X 14 37.256 4.366 1.175 1.00 0.00 N ATOM 189 CA LEU X 14 37.368 4.439 -0.273 1.00 0.00 C ATOM 190 C LEU X 14 37.856 5.816 -0.651 1.00 0.00 C ATOM 191 O LEU X 14 38.703 5.974 -1.524 1.00 0.00 O ATOM 192 CB LEU X 14 36.018 4.117 -0.943 1.00 0.00 C ATOM 193 CG LEU X 14 36.059 3.752 -2.438 1.00 0.00 C ATOM 194 CD1 LEU X 14 36.244 4.981 -3.311 1.00 0.00 C ATOM 195 CD2 LEU X 14 37.158 2.738 -2.711 1.00 0.00 C ATOM 0 H LEU X 14 36.376 4.713 1.556 1.00 0.00 H new ATOM 0 HA LEU X 14 38.084 3.696 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.559 3.289 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.363 4.980 -0.821 1.00 0.00 H new ATOM 0 HG LEU X 14 35.097 3.306 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.268 4.683 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.415 5.670 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU X 14 37.182 5.473 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU X 14 37.171 2.493 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU X 14 38.121 3.159 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU X 14 36.971 1.834 -2.132 1.00 0.00 H new ATOM 207 N SER X 15 37.310 6.814 0.019 1.00 0.00 N ATOM 208 CA SER X 15 37.686 8.183 -0.253 1.00 0.00 C ATOM 209 C SER X 15 39.134 8.444 0.156 1.00 0.00 C ATOM 210 O SER X 15 39.807 9.281 -0.440 1.00 0.00 O ATOM 211 CB SER X 15 36.745 9.161 0.447 1.00 0.00 C ATOM 212 OG SER X 15 37.002 10.500 0.054 1.00 0.00 O ATOM 0 H SER X 15 36.609 6.700 0.751 1.00 0.00 H new ATOM 0 HA SER X 15 37.602 8.343 -1.328 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.712 8.904 0.214 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.860 9.069 1.527 1.00 0.00 H new ATOM 0 HG SER X 15 36.383 11.102 0.518 1.00 0.00 H new ATOM 218 N GLN X 16 39.639 7.667 1.116 1.00 0.00 N ATOM 219 CA GLN X 16 41.036 7.776 1.521 1.00 0.00 C ATOM 220 C GLN X 16 41.954 7.401 0.362 1.00 0.00 C ATOM 221 O GLN X 16 42.856 8.154 -0.006 1.00 0.00 O ATOM 222 CB GLN X 16 41.305 6.879 2.742 1.00 0.00 C ATOM 223 CG GLN X 16 42.777 6.715 3.105 1.00 0.00 C ATOM 224 CD GLN X 16 43.406 5.507 2.435 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.945 4.383 2.611 1.00 0.00 O ATOM 226 NE2 GLN X 16 44.461 5.730 1.663 1.00 0.00 N ATOM 0 H GLN X 16 39.104 6.962 1.622 1.00 0.00 H new ATOM 0 HA GLN X 16 41.243 8.809 1.800 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.777 7.292 3.602 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.881 5.893 2.551 1.00 0.00 H new ATOM 0 HG2 GLN X 16 43.322 7.613 2.815 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.873 6.619 4.186 1.00 0.00 H new ATOM 0 HE21 GLN X 16 44.813 6.680 1.543 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.920 4.952 1.190 1.00 0.00 H new ATOM 235 N MET X 17 41.740 6.212 -0.179 1.00 0.00 N ATOM 236 CA MET X 17 42.572 5.708 -1.259 1.00 0.00 C ATOM 237 C MET X 17 42.302 6.448 -2.562 1.00 0.00 C ATOM 238 O MET X 17 43.216 6.655 -3.359 1.00 0.00 O ATOM 239 CB MET X 17 42.352 4.205 -1.434 1.00 0.00 C ATOM 240 CG MET X 17 40.887 3.805 -1.524 1.00 0.00 C ATOM 241 SD MET X 17 40.653 2.023 -1.510 1.00 0.00 S ATOM 242 CE MET X 17 41.454 1.587 0.030 1.00 0.00 C ATOM 0 H MET X 17 40.996 5.578 0.113 1.00 0.00 H new ATOM 0 HA MET X 17 43.615 5.883 -0.994 1.00 0.00 H new ATOM 0 HB2 MET X 17 42.865 3.875 -2.337 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.811 3.680 -0.596 1.00 0.00 H new ATOM 0 HG2 MET X 17 40.342 4.246 -0.689 1.00 0.00 H new ATOM 0 HG3 MET X 17 40.458 4.217 -2.437 1.00 0.00 H new ATOM 0 HE1 MET X 17 40.853 0.844 0.555 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.441 1.175 -0.177 1.00 0.00 H new ATOM 0 HE3 MET X 17 41.556 2.476 0.652 1.00 0.00 H new ATOM 252 N LEU X 18 41.058 6.858 -2.774 1.00 0.00 N ATOM 253 CA LEU X 18 40.703 7.583 -3.987 1.00 0.00 C ATOM 254 C LEU X 18 41.360 8.962 -4.007 1.00 0.00 C ATOM 255 O LEU X 18 41.751 9.460 -5.062 1.00 0.00 O ATOM 256 CB LEU X 18 39.186 7.728 -4.097 1.00 0.00 C ATOM 257 CG LEU X 18 38.682 8.242 -5.446 1.00 0.00 C ATOM 258 CD1 LEU X 18 39.032 7.265 -6.556 1.00 0.00 C ATOM 259 CD2 LEU X 18 37.183 8.468 -5.404 1.00 0.00 C ATOM 0 H LEU X 18 40.284 6.703 -2.128 1.00 0.00 H new ATOM 0 HA LEU X 18 41.068 7.012 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.728 6.758 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.843 8.406 -3.316 1.00 0.00 H new ATOM 0 HG LEU X 18 39.173 9.193 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.665 7.649 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU X 18 40.114 7.144 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.568 6.300 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.843 8.834 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.680 7.529 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.947 9.204 -4.635 1.00 0.00 H new ATOM 271 N SER X 19 41.454 9.583 -2.837 1.00 0.00 N ATOM 272 CA SER X 19 42.033 10.914 -2.725 1.00 0.00 C ATOM 273 C SER X 19 43.560 10.856 -2.733 1.00 0.00 C ATOM 274 O SER X 19 44.219 11.759 -3.249 1.00 0.00 O ATOM 275 CB SER X 19 41.543 11.589 -1.442 1.00 0.00 C ATOM 276 OG SER X 19 41.927 12.952 -1.390 1.00 0.00 O ATOM 0 H SER X 19 41.136 9.185 -1.953 1.00 0.00 H new ATOM 0 HA SER X 19 41.712 11.497 -3.588 1.00 0.00 H new ATOM 0 HB2 SER X 19 40.457 11.514 -1.383 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.947 11.063 -0.577 1.00 0.00 H new ATOM 0 HG SER X 19 41.597 13.353 -0.559 1.00 0.00 H new ATOM 282 N MET X 20 44.124 9.843 -2.083 1.00 0.00 N ATOM 283 CA MET X 20 45.576 9.745 -1.943 1.00 0.00 C ATOM 284 C MET X 20 46.237 9.288 -3.242 1.00 0.00 C ATOM 285 O MET X 20 47.364 9.684 -3.544 1.00 0.00 O ATOM 286 CB MET X 20 45.938 8.792 -0.806 1.00 0.00 C ATOM 287 CG MET X 20 47.391 8.893 -0.368 1.00 0.00 C ATOM 288 SD MET X 20 47.829 10.540 0.226 1.00 0.00 S ATOM 289 CE MET X 20 46.705 10.716 1.611 1.00 0.00 C ATOM 0 H MET X 20 43.603 9.082 -1.647 1.00 0.00 H new ATOM 0 HA MET X 20 45.952 10.741 -1.708 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.294 8.998 0.049 1.00 0.00 H new ATOM 0 HB3 MET X 20 45.732 7.769 -1.121 1.00 0.00 H new ATOM 0 HG2 MET X 20 47.579 8.165 0.421 1.00 0.00 H new ATOM 0 HG3 MET X 20 48.037 8.630 -1.205 1.00 0.00 H new ATOM 0 HE1 MET X 20 47.046 11.526 2.256 1.00 0.00 H new ATOM 0 HE2 MET X 20 45.705 10.943 1.241 1.00 0.00 H new ATOM 0 HE3 MET X 20 46.679 9.786 2.179 1.00 0.00 H new ATOM 299 N GLY X 21 45.536 8.473 -4.017 1.00 0.00 N ATOM 300 CA GLY X 21 46.089 8.009 -5.274 1.00 0.00 C ATOM 301 C GLY X 21 46.352 6.521 -5.283 1.00 0.00 C ATOM 302 O GLY X 21 47.388 6.070 -5.769 1.00 0.00 O ATOM 0 H GLY X 21 44.601 8.127 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.401 8.257 -6.082 1.00 0.00 H new ATOM 0 HA3 GLY X 21 47.020 8.539 -5.474 1.00 0.00 H new ATOM 306 N PHE X 22 45.372 5.752 -4.833 1.00 0.00 N ATOM 307 CA PHE X 22 45.448 4.307 -4.883 1.00 0.00 C ATOM 308 C PHE X 22 44.307 3.805 -5.734 1.00 0.00 C ATOM 309 O PHE X 22 43.410 4.580 -6.081 1.00 0.00 O ATOM 310 CB PHE X 22 45.364 3.709 -3.479 1.00 0.00 C ATOM 311 CG PHE X 22 46.443 4.199 -2.560 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.775 3.969 -2.856 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.126 4.895 -1.407 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.771 4.423 -2.019 1.00 0.00 C ATOM 315 CE2 PHE X 22 47.119 5.351 -0.565 1.00 0.00 C ATOM 316 CZ PHE X 22 48.443 5.116 -0.873 1.00 0.00 C ATOM 0 H PHE X 22 44.509 6.113 -4.426 1.00 0.00 H new ATOM 0 HA PHE X 22 46.402 4.004 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.392 3.948 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.422 2.623 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE X 22 48.037 3.428 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.091 5.083 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.807 4.236 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE X 22 46.860 5.891 0.334 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.222 5.475 -0.217 1.00 0.00 H new ATOM 326 N SER X 23 44.328 2.535 -6.082 1.00 0.00 N ATOM 327 CA SER X 23 43.274 1.992 -6.913 1.00 0.00 C ATOM 328 C SER X 23 43.080 0.510 -6.622 1.00 0.00 C ATOM 329 O SER X 23 43.396 0.043 -5.526 1.00 0.00 O ATOM 330 CB SER X 23 43.599 2.197 -8.398 1.00 0.00 C ATOM 331 OG SER X 23 43.802 3.567 -8.704 1.00 0.00 O ATOM 0 H SER X 23 45.050 1.869 -5.808 1.00 0.00 H new ATOM 0 HA SER X 23 42.349 2.521 -6.682 1.00 0.00 H new ATOM 0 HB2 SER X 23 44.493 1.629 -8.657 1.00 0.00 H new ATOM 0 HB3 SER X 23 42.785 1.804 -9.007 1.00 0.00 H new ATOM 0 HG SER X 23 44.009 3.662 -9.657 1.00 0.00 H new ATOM 337 N ASP X 24 42.679 -0.247 -7.636 1.00 0.00 N ATOM 338 CA ASP X 24 42.587 -1.685 -7.497 1.00 0.00 C ATOM 339 C ASP X 24 43.896 -2.295 -7.950 1.00 0.00 C ATOM 340 O ASP X 24 44.235 -2.226 -9.131 1.00 0.00 O ATOM 341 CB ASP X 24 41.445 -2.275 -8.350 1.00 0.00 C ATOM 342 CG ASP X 24 40.084 -1.660 -8.083 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.018 -0.563 -7.502 1.00 0.00 O ATOM 344 OD2 ASP X 24 39.075 -2.269 -8.486 1.00 0.00 O ATOM 0 H ASP X 24 42.416 0.112 -8.554 1.00 0.00 H new ATOM 0 HA ASP X 24 42.380 -1.914 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.690 -2.144 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP X 24 41.388 -3.348 -8.167 1.00 0.00 H new ATOM 349 N GLU X 25 44.611 -2.934 -7.041 1.00 0.00 N ATOM 350 CA GLU X 25 45.856 -3.591 -7.405 1.00 0.00 C ATOM 351 C GLU X 25 45.585 -4.979 -7.988 1.00 0.00 C ATOM 352 O GLU X 25 46.250 -5.951 -7.635 1.00 0.00 O ATOM 353 CB GLU X 25 46.769 -3.690 -6.186 1.00 0.00 C ATOM 354 CG GLU X 25 47.420 -2.374 -5.798 1.00 0.00 C ATOM 355 CD GLU X 25 48.590 -2.031 -6.687 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.952 -2.863 -7.539 1.00 0.00 O ATOM 357 OE2 GLU X 25 49.162 -0.940 -6.523 1.00 0.00 O ATOM 0 H GLU X 25 44.356 -3.012 -6.056 1.00 0.00 H new ATOM 0 HA GLU X 25 46.354 -2.995 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU X 25 46.191 -4.062 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU X 25 47.549 -4.425 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU X 25 46.680 -1.575 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU X 25 47.757 -2.429 -4.763 1.00 0.00 H new ATOM 364 N GLY X 26 44.582 -5.068 -8.852 1.00 0.00 N ATOM 365 CA GLY X 26 44.214 -6.342 -9.439 1.00 0.00 C ATOM 366 C GLY X 26 42.712 -6.490 -9.618 1.00 0.00 C ATOM 367 O GLY X 26 42.253 -7.397 -10.308 1.00 0.00 O ATOM 0 H GLY X 26 44.015 -4.277 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.704 -6.447 -10.407 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.582 -7.150 -8.806 1.00 0.00 H new ATOM 371 N GLY X 27 41.945 -5.618 -8.972 1.00 0.00 N ATOM 372 CA GLY X 27 40.498 -5.694 -9.057 1.00 0.00 C ATOM 373 C GLY X 27 39.887 -6.239 -7.788 1.00 0.00 C ATOM 374 O GLY X 27 38.691 -6.509 -7.725 1.00 0.00 O ATOM 0 H GLY X 27 42.300 -4.859 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.094 -4.702 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY X 27 40.217 -6.329 -9.897 1.00 0.00 H new ATOM 378 N TRP X 28 40.719 -6.410 -6.774 1.00 0.00 N ATOM 379 CA TRP X 28 40.278 -6.938 -5.497 1.00 0.00 C ATOM 380 C TRP X 28 39.756 -5.837 -4.597 1.00 0.00 C ATOM 381 O TRP X 28 39.327 -6.127 -3.499 1.00 0.00 O ATOM 382 CB TRP X 28 41.439 -7.630 -4.777 1.00 0.00 C ATOM 383 CG TRP X 28 42.654 -6.760 -4.716 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.713 -6.789 -5.562 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.911 -5.692 -3.791 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.609 -5.816 -5.218 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.141 -5.130 -4.141 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.221 -5.160 -2.707 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.698 -4.061 -3.452 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.770 -4.100 -2.017 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.998 -3.560 -2.393 1.00 0.00 C ATOM 0 H TRP X 28 41.714 -6.188 -6.814 1.00 0.00 H new ATOM 0 HA TRP X 28 39.478 -7.650 -5.702 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.132 -7.897 -3.766 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.683 -8.559 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.831 -7.478 -6.385 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.492 -5.633 -5.695 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.268 -5.572 -2.410 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.650 -3.642 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 42.241 -3.682 -1.173 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.404 -2.729 -1.836 1.00 0.00 H new ATOM 402 N LEU X 29 40.030 -4.579 -4.954 1.00 0.00 N ATOM 403 CA LEU X 29 39.814 -3.467 -4.023 1.00 0.00 C ATOM 404 C LEU X 29 38.438 -3.531 -3.372 1.00 0.00 C ATOM 405 O LEU X 29 38.328 -3.510 -2.147 1.00 0.00 O ATOM 406 CB LEU X 29 40.006 -2.116 -4.710 1.00 0.00 C ATOM 407 CG LEU X 29 39.961 -0.911 -3.771 1.00 0.00 C ATOM 408 CD1 LEU X 29 41.131 -0.952 -2.806 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.970 0.385 -4.560 1.00 0.00 C ATOM 0 H LEU X 29 40.396 -4.307 -5.866 1.00 0.00 H new ATOM 0 HA LEU X 29 40.565 -3.567 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.965 -2.120 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.233 -1.997 -5.470 1.00 0.00 H new ATOM 0 HG LEU X 29 39.034 -0.955 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU X 29 41.086 -0.088 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU X 29 41.083 -1.866 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU X 29 42.066 -0.932 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU X 29 39.937 1.230 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.879 0.440 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU X 29 39.100 0.418 -5.216 1.00 0.00 H new ATOM 421 N THR X 30 37.401 -3.671 -4.181 1.00 0.00 N ATOM 422 CA THR X 30 36.052 -3.805 -3.661 1.00 0.00 C ATOM 423 C THR X 30 35.895 -5.107 -2.870 1.00 0.00 C ATOM 424 O THR X 30 35.371 -5.107 -1.753 1.00 0.00 O ATOM 425 CB THR X 30 35.053 -3.750 -4.814 1.00 0.00 C ATOM 426 OG1 THR X 30 35.425 -4.654 -5.840 1.00 0.00 O ATOM 427 CG2 THR X 30 34.937 -2.375 -5.433 1.00 0.00 C ATOM 0 H THR X 30 37.468 -3.695 -5.199 1.00 0.00 H new ATOM 0 HA THR X 30 35.855 -2.979 -2.978 1.00 0.00 H new ATOM 0 HB THR X 30 34.090 -4.020 -4.381 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.773 -4.607 -6.570 1.00 0.00 H new ATOM 0 HG21 THR X 30 34.212 -2.402 -6.246 1.00 0.00 H new ATOM 0 HG22 THR X 30 34.608 -1.662 -4.677 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.908 -2.068 -5.823 1.00 0.00 H new ATOM 435 N ARG X 31 36.359 -6.209 -3.458 1.00 0.00 N ATOM 436 CA ARG X 31 36.278 -7.527 -2.824 1.00 0.00 C ATOM 437 C ARG X 31 36.925 -7.507 -1.441 1.00 0.00 C ATOM 438 O ARG X 31 36.300 -7.885 -0.451 1.00 0.00 O ATOM 439 CB ARG X 31 36.959 -8.586 -3.699 1.00 0.00 C ATOM 440 CG ARG X 31 36.975 -8.245 -5.183 1.00 0.00 C ATOM 441 CD ARG X 31 37.315 -9.456 -6.036 1.00 0.00 C ATOM 442 NE ARG X 31 38.591 -10.067 -5.659 1.00 0.00 N ATOM 443 CZ ARG X 31 39.177 -11.035 -6.366 1.00 0.00 C ATOM 444 NH1 ARG X 31 38.587 -11.495 -7.463 1.00 0.00 N ATOM 445 NH2 ARG X 31 40.340 -11.543 -5.971 1.00 0.00 N ATOM 0 H ARG X 31 36.798 -6.216 -4.379 1.00 0.00 H new ATOM 0 HA ARG X 31 35.224 -7.781 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.985 -8.721 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.449 -9.539 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG X 31 36.000 -7.855 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.703 -7.455 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG X 31 36.520 -10.196 -5.944 1.00 0.00 H new ATOM 0 HD3 ARG X 31 37.354 -9.159 -7.084 1.00 0.00 H new ATOM 0 HE ARG X 31 39.055 -9.736 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG X 31 37.691 -11.108 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG X 31 39.030 -12.235 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG X 31 40.788 -11.193 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG X 31 40.784 -12.283 -6.515 1.00 0.00 H new ATOM 459 N LEU X 32 38.165 -7.032 -1.383 1.00 0.00 N ATOM 460 CA LEU X 32 38.911 -6.907 -0.136 1.00 0.00 C ATOM 461 C LEU X 32 38.138 -6.062 0.877 1.00 0.00 C ATOM 462 O LEU X 32 37.933 -6.483 2.014 1.00 0.00 O ATOM 463 CB LEU X 32 40.268 -6.265 -0.458 1.00 0.00 C ATOM 464 CG LEU X 32 41.360 -6.307 0.619 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.016 -5.433 1.808 1.00 0.00 C ATOM 466 CD2 LEU X 32 41.626 -7.735 1.049 1.00 0.00 C ATOM 0 H LEU X 32 38.683 -6.721 -2.205 1.00 0.00 H new ATOM 0 HA LEU X 32 39.059 -7.890 0.311 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.662 -6.749 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.091 -5.220 -0.713 1.00 0.00 H new ATOM 0 HG LEU X 32 42.272 -5.902 0.181 1.00 0.00 H new ATOM 0 HD11 LEU X 32 41.816 -5.492 2.546 1.00 0.00 H new ATOM 0 HD12 LEU X 32 40.901 -4.400 1.479 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.083 -5.777 2.255 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.403 -7.746 1.813 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.712 -8.169 1.454 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.954 -8.319 0.189 1.00 0.00 H new ATOM 478 N LEU X 33 37.774 -4.847 0.473 1.00 0.00 N ATOM 479 CA LEU X 33 37.095 -3.905 1.358 1.00 0.00 C ATOM 480 C LEU X 33 35.803 -4.481 1.931 1.00 0.00 C ATOM 481 O LEU X 33 35.650 -4.571 3.143 1.00 0.00 O ATOM 482 CB LEU X 33 36.788 -2.602 0.612 1.00 0.00 C ATOM 483 CG LEU X 33 38.007 -1.750 0.248 1.00 0.00 C ATOM 484 CD1 LEU X 33 37.614 -0.647 -0.718 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.632 -1.152 1.496 1.00 0.00 C ATOM 0 H LEU X 33 37.940 -4.491 -0.468 1.00 0.00 H new ATOM 0 HA LEU X 33 37.770 -3.705 2.190 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.250 -2.846 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.117 -2.002 1.226 1.00 0.00 H new ATOM 0 HG LEU X 33 38.742 -2.394 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU X 33 38.492 -0.051 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU X 33 37.206 -1.088 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU X 33 36.861 -0.009 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.497 -0.550 1.217 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.901 -0.523 2.004 1.00 0.00 H new ATOM 0 HD23 LEU X 33 38.948 -1.953 2.164 1.00 0.00 H new ATOM 497 N GLN X 34 34.831 -4.735 1.064 1.00 0.00 N ATOM 498 CA GLN X 34 33.492 -5.139 1.498 1.00 0.00 C ATOM 499 C GLN X 34 33.493 -6.364 2.415 1.00 0.00 C ATOM 500 O GLN X 34 32.684 -6.444 3.338 1.00 0.00 O ATOM 501 CB GLN X 34 32.593 -5.398 0.290 1.00 0.00 C ATOM 502 CG GLN X 34 31.954 -4.138 -0.281 1.00 0.00 C ATOM 503 CD GLN X 34 32.874 -3.370 -1.206 1.00 0.00 C ATOM 504 OE1 GLN X 34 33.015 -3.715 -2.378 1.00 0.00 O ATOM 505 NE2 GLN X 34 33.520 -2.337 -0.684 1.00 0.00 N ATOM 0 H GLN X 34 34.942 -4.669 0.052 1.00 0.00 H new ATOM 0 HA GLN X 34 33.100 -4.307 2.083 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.179 -5.883 -0.491 1.00 0.00 H new ATOM 0 HB3 GLN X 34 31.806 -6.095 0.577 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.049 -4.411 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.650 -3.489 0.540 1.00 0.00 H new ATOM 0 HE21 GLN X 34 33.374 -2.085 0.293 1.00 0.00 H new ATOM 0 HE22 GLN X 34 34.163 -1.794 -1.260 1.00 0.00 H new ATOM 514 N THR X 35 34.351 -7.335 2.136 1.00 0.00 N ATOM 515 CA THR X 35 34.378 -8.570 2.922 1.00 0.00 C ATOM 516 C THR X 35 34.959 -8.352 4.323 1.00 0.00 C ATOM 517 O THR X 35 34.839 -9.215 5.195 1.00 0.00 O ATOM 518 CB THR X 35 35.176 -9.644 2.185 1.00 0.00 C ATOM 519 OG1 THR X 35 36.473 -9.172 1.862 1.00 0.00 O ATOM 520 CG2 THR X 35 34.515 -10.106 0.903 1.00 0.00 C ATOM 0 H THR X 35 35.034 -7.297 1.379 1.00 0.00 H new ATOM 0 HA THR X 35 33.346 -8.900 3.045 1.00 0.00 H new ATOM 0 HB THR X 35 35.227 -10.490 2.870 1.00 0.00 H new ATOM 0 HG1 THR X 35 36.474 -8.819 0.948 1.00 0.00 H new ATOM 0 HG21 THR X 35 35.133 -10.869 0.429 1.00 0.00 H new ATOM 0 HG22 THR X 35 33.534 -10.523 1.129 1.00 0.00 H new ATOM 0 HG23 THR X 35 34.402 -9.259 0.226 1.00 0.00 H new ATOM 528 N LYS X 36 35.589 -7.204 4.535 1.00 0.00 N ATOM 529 CA LYS X 36 36.186 -6.882 5.826 1.00 0.00 C ATOM 530 C LYS X 36 35.561 -5.614 6.404 1.00 0.00 C ATOM 531 O LYS X 36 36.273 -4.755 6.929 1.00 0.00 O ATOM 532 CB LYS X 36 37.701 -6.706 5.680 1.00 0.00 C ATOM 533 CG LYS X 36 38.394 -7.901 5.039 1.00 0.00 C ATOM 534 CD LYS X 36 39.888 -7.669 4.862 1.00 0.00 C ATOM 535 CE LYS X 36 40.690 -8.113 6.079 1.00 0.00 C ATOM 536 NZ LYS X 36 40.371 -7.328 7.303 1.00 0.00 N ATOM 0 H LYS X 36 35.700 -6.478 3.828 1.00 0.00 H new ATOM 0 HA LYS X 36 35.992 -7.707 6.512 1.00 0.00 H new ATOM 0 HB2 LYS X 36 37.899 -5.817 5.081 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.135 -6.530 6.664 1.00 0.00 H new ATOM 0 HG2 LYS X 36 38.235 -8.785 5.656 1.00 0.00 H new ATOM 0 HG3 LYS X 36 37.942 -8.104 4.068 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.236 -8.211 3.983 1.00 0.00 H new ATOM 0 HD3 LYS X 36 40.070 -6.610 4.676 1.00 0.00 H new ATOM 0 HE2 LYS X 36 40.496 -9.168 6.270 1.00 0.00 H new ATOM 0 HE3 LYS X 36 41.754 -8.019 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 41.115 -7.477 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 40.318 -6.317 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 39.457 -7.641 7.688 1.00 0.00 H new ATOM 550 N ASN X 37 34.238 -5.481 6.216 1.00 0.00 N ATOM 551 CA ASN X 37 33.465 -4.288 6.615 1.00 0.00 C ATOM 552 C ASN X 37 34.186 -2.992 6.255 1.00 0.00 C ATOM 553 O ASN X 37 34.262 -2.058 7.060 1.00 0.00 O ATOM 554 CB ASN X 37 33.066 -4.301 8.111 1.00 0.00 C ATOM 555 CG ASN X 37 34.235 -4.316 9.084 1.00 0.00 C ATOM 556 OD1 ASN X 37 34.898 -5.337 9.267 1.00 0.00 O ATOM 557 ND2 ASN X 37 34.486 -3.184 9.727 1.00 0.00 N ATOM 0 H ASN X 37 33.667 -6.204 5.779 1.00 0.00 H new ATOM 0 HA ASN X 37 32.541 -4.329 6.039 1.00 0.00 H new ATOM 0 HB2 ASN X 37 32.452 -3.424 8.316 1.00 0.00 H new ATOM 0 HB3 ASN X 37 32.444 -5.176 8.299 1.00 0.00 H new ATOM 0 HD21 ASN X 37 35.251 -3.139 10.400 1.00 0.00 H new ATOM 0 HD22 ASN X 37 33.914 -2.358 9.548 1.00 0.00 H new ATOM 564 N TYR X 38 34.680 -2.941 5.017 1.00 0.00 N ATOM 565 CA TYR X 38 35.374 -1.770 4.482 1.00 0.00 C ATOM 566 C TYR X 38 36.649 -1.505 5.274 1.00 0.00 C ATOM 567 O TYR X 38 36.672 -0.665 6.176 1.00 0.00 O ATOM 568 CB TYR X 38 34.445 -0.553 4.498 1.00 0.00 C ATOM 569 CG TYR X 38 33.164 -0.770 3.716 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.165 -0.769 2.331 1.00 0.00 C ATOM 571 CD2 TYR X 38 31.956 -0.990 4.368 1.00 0.00 C ATOM 572 CE1 TYR X 38 32.000 -0.979 1.617 1.00 0.00 C ATOM 573 CE2 TYR X 38 30.789 -1.200 3.661 1.00 0.00 C ATOM 574 CZ TYR X 38 30.817 -1.193 2.284 1.00 0.00 C ATOM 575 OH TYR X 38 29.658 -1.404 1.573 1.00 0.00 O ATOM 0 H TYR X 38 34.609 -3.714 4.355 1.00 0.00 H new ATOM 0 HA TYR X 38 35.657 -1.964 3.447 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.196 -0.308 5.530 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.974 0.306 4.085 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.091 -0.602 1.800 1.00 0.00 H new ATOM 0 HD2 TYR X 38 31.930 -0.997 5.448 1.00 0.00 H new ATOM 0 HE1 TYR X 38 32.019 -0.975 0.537 1.00 0.00 H new ATOM 0 HE2 TYR X 38 29.860 -1.369 4.185 1.00 0.00 H new ATOM 0 HH TYR X 38 28.913 -1.540 2.195 1.00 0.00 H new ATOM 585 N ASP X 39 37.671 -2.312 5.003 1.00 0.00 N ATOM 586 CA ASP X 39 38.910 -2.263 5.764 1.00 0.00 C ATOM 587 C ASP X 39 40.057 -1.743 4.917 1.00 0.00 C ATOM 588 O ASP X 39 40.425 -2.356 3.916 1.00 0.00 O ATOM 589 CB ASP X 39 39.245 -3.656 6.290 1.00 0.00 C ATOM 590 CG ASP X 39 40.540 -3.701 7.057 1.00 0.00 C ATOM 591 OD1 ASP X 39 40.698 -2.907 8.002 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.387 -4.551 6.732 1.00 0.00 O ATOM 0 H ASP X 39 37.662 -3.009 4.259 1.00 0.00 H new ATOM 0 HA ASP X 39 38.770 -1.578 6.600 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.436 -3.999 6.934 1.00 0.00 H new ATOM 0 HB3 ASP X 39 39.301 -4.351 5.452 1.00 0.00 H new ATOM 597 N ILE X 40 40.695 -0.683 5.387 1.00 0.00 N ATOM 598 CA ILE X 40 41.882 -0.169 4.736 1.00 0.00 C ATOM 599 C ILE X 40 43.125 -0.828 5.303 1.00 0.00 C ATOM 600 O ILE X 40 44.222 -0.663 4.775 1.00 0.00 O ATOM 601 CB ILE X 40 42.006 1.366 4.864 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.667 1.845 6.288 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.121 2.047 3.831 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.247 2.357 6.454 1.00 0.00 C ATOM 0 H ILE X 40 40.408 -0.164 6.217 1.00 0.00 H new ATOM 0 HA ILE X 40 41.788 -0.407 3.677 1.00 0.00 H new ATOM 0 HB ILE X 40 43.043 1.642 4.673 1.00 0.00 H new ATOM 0 HG12 ILE X 40 41.827 1.021 6.984 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.361 2.637 6.567 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.214 3.129 3.928 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.431 1.745 2.831 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.083 1.756 3.993 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.093 2.674 7.485 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.085 3.203 5.786 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.543 1.562 6.209 1.00 0.00 H new ATOM 616 N GLY X 41 42.949 -1.588 6.375 1.00 0.00 N ATOM 617 CA GLY X 41 44.069 -2.264 6.987 1.00 0.00 C ATOM 618 C GLY X 41 44.684 -3.298 6.074 1.00 0.00 C ATOM 619 O GLY X 41 45.903 -3.374 5.924 1.00 0.00 O ATOM 0 H GLY X 41 42.050 -1.747 6.830 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.826 -1.530 7.263 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.741 -2.745 7.908 1.00 0.00 H new ATOM 623 N ALA X 42 43.832 -4.069 5.430 1.00 0.00 N ATOM 624 CA ALA X 42 44.282 -5.081 4.488 1.00 0.00 C ATOM 625 C ALA X 42 44.303 -4.531 3.072 1.00 0.00 C ATOM 626 O ALA X 42 44.988 -5.066 2.200 1.00 0.00 O ATOM 627 CB ALA X 42 43.403 -6.319 4.566 1.00 0.00 C ATOM 0 H ALA X 42 42.819 -4.016 5.540 1.00 0.00 H new ATOM 0 HA ALA X 42 45.299 -5.365 4.759 1.00 0.00 H new ATOM 0 HB1 ALA X 42 43.758 -7.063 3.853 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.446 -6.733 5.573 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.374 -6.050 4.328 1.00 0.00 H new ATOM 633 N ALA X 43 43.580 -3.443 2.861 1.00 0.00 N ATOM 634 CA ALA X 43 43.551 -2.793 1.559 1.00 0.00 C ATOM 635 C ALA X 43 44.880 -2.108 1.276 1.00 0.00 C ATOM 636 O ALA X 43 45.479 -2.316 0.223 1.00 0.00 O ATOM 637 CB ALA X 43 42.415 -1.787 1.480 1.00 0.00 C ATOM 0 H ALA X 43 43.006 -2.991 3.573 1.00 0.00 H new ATOM 0 HA ALA X 43 43.383 -3.560 0.803 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.415 -1.315 0.498 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.465 -2.298 1.637 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.549 -1.026 2.248 1.00 0.00 H new ATOM 643 N LEU X 44 45.336 -1.296 2.230 1.00 0.00 N ATOM 644 CA LEU X 44 46.599 -0.574 2.091 1.00 0.00 C ATOM 645 C LEU X 44 47.774 -1.526 1.976 1.00 0.00 C ATOM 646 O LEU X 44 48.771 -1.207 1.332 1.00 0.00 O ATOM 647 CB LEU X 44 46.818 0.388 3.263 1.00 0.00 C ATOM 648 CG LEU X 44 46.237 1.794 3.074 1.00 0.00 C ATOM 649 CD1 LEU X 44 44.741 1.744 2.811 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.531 2.655 4.292 1.00 0.00 C ATOM 0 H LEU X 44 44.848 -1.122 3.109 1.00 0.00 H new ATOM 0 HA LEU X 44 46.536 0.006 1.170 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.379 -0.051 4.159 1.00 0.00 H new ATOM 0 HB3 LEU X 44 47.889 0.477 3.443 1.00 0.00 H new ATOM 0 HG LEU X 44 46.715 2.239 2.202 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.360 2.757 2.682 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.550 1.166 1.907 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.239 1.273 3.656 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.113 3.650 4.143 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.082 2.201 5.175 1.00 0.00 H new ATOM 0 HD23 LEU X 44 47.609 2.732 4.432 1.00 0.00 H new ATOM 662 N ASP X 45 47.637 -2.701 2.580 1.00 0.00 N ATOM 663 CA ASP X 45 48.674 -3.724 2.531 1.00 0.00 C ATOM 664 C ASP X 45 49.120 -4.009 1.095 1.00 0.00 C ATOM 665 O ASP X 45 50.312 -4.143 0.821 1.00 0.00 O ATOM 666 CB ASP X 45 48.165 -5.006 3.195 1.00 0.00 C ATOM 667 CG ASP X 45 49.118 -6.167 3.043 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.303 -6.015 3.394 1.00 0.00 O ATOM 669 OD2 ASP X 45 48.670 -7.241 2.593 1.00 0.00 O ATOM 0 H ASP X 45 46.810 -2.970 3.114 1.00 0.00 H new ATOM 0 HA ASP X 45 49.543 -3.353 3.075 1.00 0.00 H new ATOM 0 HB2 ASP X 45 47.997 -4.817 4.255 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.201 -5.275 2.762 1.00 0.00 H new ATOM 674 N THR X 46 48.166 -4.138 0.187 1.00 0.00 N ATOM 675 CA THR X 46 48.491 -4.454 -1.196 1.00 0.00 C ATOM 676 C THR X 46 48.562 -3.210 -2.095 1.00 0.00 C ATOM 677 O THR X 46 49.230 -3.240 -3.130 1.00 0.00 O ATOM 678 CB THR X 46 47.490 -5.470 -1.740 1.00 0.00 C ATOM 679 OG1 THR X 46 46.191 -5.198 -1.248 1.00 0.00 O ATOM 680 CG2 THR X 46 47.827 -6.898 -1.368 1.00 0.00 C ATOM 0 H THR X 46 47.170 -4.030 0.379 1.00 0.00 H new ATOM 0 HA THR X 46 49.491 -4.888 -1.207 1.00 0.00 H new ATOM 0 HB THR X 46 47.535 -5.372 -2.825 1.00 0.00 H new ATOM 0 HG1 THR X 46 45.840 -4.392 -1.681 1.00 0.00 H new ATOM 0 HG21 THR X 46 47.077 -7.569 -1.785 1.00 0.00 H new ATOM 0 HG22 THR X 46 48.808 -7.156 -1.768 1.00 0.00 H new ATOM 0 HG23 THR X 46 47.840 -6.998 -0.283 1.00 0.00 H new ATOM 688 N ILE X 47 47.888 -2.121 -1.712 1.00 0.00 N ATOM 689 CA ILE X 47 47.905 -0.891 -2.517 1.00 0.00 C ATOM 690 C ILE X 47 49.152 -0.033 -2.271 1.00 0.00 C ATOM 691 O ILE X 47 49.048 1.190 -2.210 1.00 0.00 O ATOM 692 CB ILE X 47 46.642 -0.008 -2.363 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.374 0.341 -0.906 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.427 -0.681 -2.987 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.166 1.228 -0.719 1.00 0.00 C ATOM 0 H ILE X 47 47.330 -2.063 -0.860 1.00 0.00 H new ATOM 0 HA ILE X 47 47.923 -1.263 -3.542 1.00 0.00 H new ATOM 0 HB ILE X 47 46.831 0.924 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.232 -0.579 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.250 0.839 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.554 -0.040 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.609 -0.849 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.247 -1.637 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.030 1.439 0.342 1.00 0.00 H new ATOM 0 HD12 ILE X 47 45.314 2.163 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.280 0.723 -1.104 1.00 0.00 H new ATOM 707 N GLN X 48 50.325 -0.685 -2.244 1.00 0.00 N ATOM 708 CA GLN X 48 51.644 -0.016 -2.164 1.00 0.00 C ATOM 709 C GLN X 48 52.106 0.245 -0.727 1.00 0.00 C ATOM 710 O GLN X 48 53.121 0.912 -0.519 1.00 0.00 O ATOM 711 CB GLN X 48 51.676 1.292 -2.975 1.00 0.00 C ATOM 712 CG GLN X 48 51.347 1.111 -4.453 1.00 0.00 C ATOM 713 CD GLN X 48 50.275 2.075 -4.926 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.492 3.286 -4.977 1.00 0.00 O ATOM 715 NE2 GLN X 48 49.109 1.541 -5.266 1.00 0.00 N ATOM 0 H GLN X 48 50.391 -1.702 -2.277 1.00 0.00 H new ATOM 0 HA GLN X 48 52.348 -0.720 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN X 48 50.967 1.996 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.666 1.739 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.251 1.257 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.014 0.088 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.974 0.532 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.348 2.140 -5.585 1.00 0.00 H new ATOM 724 N TYR X 49 51.482 -0.408 0.246 1.00 0.00 N ATOM 725 CA TYR X 49 51.977 -0.361 1.622 1.00 0.00 C ATOM 726 C TYR X 49 52.105 -1.769 2.183 1.00 0.00 C ATOM 727 O TYR X 49 51.244 -2.222 2.935 1.00 0.00 O ATOM 728 CB TYR X 49 51.061 0.461 2.533 1.00 0.00 C ATOM 729 CG TYR X 49 51.037 1.941 2.227 1.00 0.00 C ATOM 730 CD1 TYR X 49 52.211 2.680 2.154 1.00 0.00 C ATOM 731 CD2 TYR X 49 49.834 2.600 2.023 1.00 0.00 C ATOM 732 CE1 TYR X 49 52.184 4.035 1.885 1.00 0.00 C ATOM 733 CE2 TYR X 49 49.799 3.952 1.753 1.00 0.00 C ATOM 734 CZ TYR X 49 50.975 4.665 1.683 1.00 0.00 C ATOM 735 OH TYR X 49 50.937 6.014 1.415 1.00 0.00 O ATOM 0 H TYR X 49 50.642 -0.971 0.114 1.00 0.00 H new ATOM 0 HA TYR X 49 52.954 0.122 1.595 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.046 0.070 2.455 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.378 0.322 3.567 1.00 0.00 H new ATOM 0 HD1 TYR X 49 53.160 2.188 2.310 1.00 0.00 H new ATOM 0 HD2 TYR X 49 48.909 2.045 2.076 1.00 0.00 H new ATOM 0 HE1 TYR X 49 53.105 4.597 1.833 1.00 0.00 H new ATOM 0 HE2 TYR X 49 48.853 4.449 1.597 1.00 0.00 H new ATOM 0 HH TYR X 49 51.756 6.277 0.945 1.00 0.00 H new ATOM 745 N SER X 50 53.160 -2.473 1.789 1.00 0.00 N ATOM 746 CA SER X 50 53.366 -3.852 2.223 1.00 0.00 C ATOM 747 C SER X 50 53.872 -3.920 3.670 1.00 0.00 C ATOM 748 O SER X 50 54.407 -4.941 4.104 1.00 0.00 O ATOM 749 CB SER X 50 54.351 -4.550 1.280 1.00 0.00 C ATOM 750 OG SER X 50 54.315 -5.961 1.444 1.00 0.00 O ATOM 0 H SER X 50 53.886 -2.113 1.170 1.00 0.00 H new ATOM 0 HA SER X 50 52.405 -4.365 2.188 1.00 0.00 H new ATOM 0 HB2 SER X 50 54.111 -4.296 0.248 1.00 0.00 H new ATOM 0 HB3 SER X 50 55.360 -4.186 1.471 1.00 0.00 H new ATOM 0 HG SER X 50 54.317 -6.179 2.399 1.00 0.00 H new ATOM 756 N LYS X 51 53.643 -2.855 4.428 1.00 0.00 N ATOM 757 CA LYS X 51 54.010 -2.813 5.835 1.00 0.00 C ATOM 758 C LYS X 51 53.362 -1.604 6.501 1.00 0.00 C ATOM 759 O LYS X 51 53.629 -0.466 6.114 1.00 0.00 O ATOM 760 CB LYS X 51 55.532 -2.746 5.994 1.00 0.00 C ATOM 761 CG LYS X 51 56.006 -2.992 7.417 1.00 0.00 C ATOM 762 CD LYS X 51 57.524 -2.953 7.512 1.00 0.00 C ATOM 763 CE LYS X 51 58.002 -3.365 8.893 1.00 0.00 C ATOM 764 NZ LYS X 51 57.541 -4.734 9.248 1.00 0.00 N ATOM 0 H LYS X 51 53.200 -2.002 4.086 1.00 0.00 H new ATOM 0 HA LYS X 51 53.653 -3.724 6.316 1.00 0.00 H new ATOM 0 HB2 LYS X 51 55.991 -3.483 5.335 1.00 0.00 H new ATOM 0 HB3 LYS X 51 55.880 -1.766 5.668 1.00 0.00 H new ATOM 0 HG2 LYS X 51 55.579 -2.239 8.079 1.00 0.00 H new ATOM 0 HG3 LYS X 51 55.643 -3.961 7.760 1.00 0.00 H new ATOM 0 HD2 LYS X 51 57.954 -3.618 6.763 1.00 0.00 H new ATOM 0 HD3 LYS X 51 57.879 -1.947 7.287 1.00 0.00 H new ATOM 0 HE2 LYS X 51 59.091 -3.327 8.928 1.00 0.00 H new ATOM 0 HE3 LYS X 51 57.634 -2.654 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 58.148 -5.121 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 56.558 -4.693 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 57.594 -5.347 8.409 1.00 0.00 H new ATOM 778 N HIS X 52 52.511 -1.851 7.491 1.00 0.00 N ATOM 779 CA HIS X 52 51.831 -0.769 8.198 1.00 0.00 C ATOM 780 C HIS X 52 52.744 -0.136 9.237 1.00 0.00 C ATOM 781 O HIS X 52 53.296 -0.876 10.071 1.00 0.00 O ATOM 782 CB HIS X 52 50.554 -1.272 8.873 1.00 0.00 C ATOM 783 CG HIS X 52 49.323 -1.084 8.041 1.00 0.00 C ATOM 784 ND1 HIS X 52 49.172 -1.577 6.763 1.00 0.00 N ATOM 785 CD2 HIS X 52 48.169 -0.433 8.332 1.00 0.00 C ATOM 786 CE1 HIS X 52 47.960 -1.215 6.326 1.00 0.00 C ATOM 787 NE2 HIS X 52 47.311 -0.520 7.240 1.00 0.00 N ATOM 788 OXT HIS X 52 52.903 1.097 9.207 1.00 0.00 O ATOM 0 H HIS X 52 52.276 -2.787 7.822 1.00 0.00 H new ATOM 0 HA HIS X 52 51.564 -0.014 7.458 1.00 0.00 H new ATOM 0 HB2 HIS X 52 50.668 -2.331 9.104 1.00 0.00 H new ATOM 0 HB3 HIS X 52 50.425 -0.751 9.822 1.00 0.00 H new ATOM 0 HD1 HIS X 52 49.861 -2.121 6.243 1.00 0.00 H new ATOM 0 HD2 HIS X 52 47.951 0.072 9.262 1.00 0.00 H new ATOM 0 HE1 HIS X 52 47.565 -1.460 5.351 1.00 0.00 H new TER 796 HIS X 52