USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 737 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 23 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.5!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.994 K(o=-0.99,f=-3.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.905 K(o=-0.9,f=-0.4) USER MOD Single : A 16 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.99 K(o=-2,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -11:sc= -0.812! USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.73 K(o=-2.7,f=-4.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 25:sc= 0.281 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 100:sc= -2.32! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 111:sc= 0.104 USER MOD Single : A 92 SER OG : rot 180:sc= 0.139 USER MOD Single : A 97 TYR OH : rot -15:sc= -2.63! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 63:sc= -0.577 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 102 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.65) USER MOD Single : A 103 TYR OH : rot -67:sc= 0.57 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 116:sc= 1.2 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.514 11.772 2.393 1.00 0.00 N ATOM 47 CA ILE A 4 2.153 11.171 2.460 1.00 0.00 C ATOM 48 C ILE A 4 2.267 9.646 2.421 1.00 0.00 C ATOM 49 O ILE A 4 2.199 9.035 1.372 1.00 0.00 O ATOM 50 CB ILE A 4 1.321 11.648 1.268 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.592 13.135 1.020 1.00 0.00 C ATOM 52 CG2 ILE A 4 -0.164 11.447 1.569 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.205 13.316 -0.371 1.00 0.00 C ATOM 0 HA ILE A 4 1.668 11.478 3.387 1.00 0.00 H new ATOM 0 HB ILE A 4 1.594 11.074 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.665 13.703 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.268 13.524 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.757 11.787 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.359 10.390 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.437 12.021 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.398 14.374 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.141 12.761 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.513 12.942 -1.125 1.00 0.00 H new ATOM 65 N ASN A 5 2.440 9.025 3.555 1.00 0.00 N ATOM 66 CA ASN A 5 2.558 7.540 3.582 1.00 0.00 C ATOM 67 C ASN A 5 1.810 6.994 4.799 1.00 0.00 C ATOM 68 O ASN A 5 2.379 6.334 5.646 1.00 0.00 O ATOM 69 CB ASN A 5 4.033 7.145 3.668 1.00 0.00 C ATOM 70 CG ASN A 5 4.652 7.752 4.928 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.578 8.946 5.141 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.263 6.975 5.779 1.00 0.00 N ATOM 0 H ASN A 5 2.505 9.482 4.465 1.00 0.00 H new ATOM 0 HA ASN A 5 2.126 7.124 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.129 6.059 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.566 7.494 2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.678 7.370 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.325 5.973 5.601 1.00 0.00 H new ATOM 79 N THR A 6 0.538 7.266 4.894 1.00 0.00 N ATOM 80 CA THR A 6 -0.249 6.766 6.056 1.00 0.00 C ATOM 81 C THR A 6 -1.645 6.358 5.582 1.00 0.00 C ATOM 82 O THR A 6 -1.902 6.248 4.400 1.00 0.00 O ATOM 83 CB THR A 6 -0.368 7.876 7.104 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.613 9.114 6.452 1.00 0.00 O ATOM 85 CG2 THR A 6 0.932 7.966 7.904 1.00 0.00 C ATOM 0 H THR A 6 0.009 7.814 4.216 1.00 0.00 H new ATOM 0 HA THR A 6 0.253 5.904 6.496 1.00 0.00 H new ATOM 0 HB THR A 6 -1.192 7.652 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.691 9.826 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.846 8.756 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.119 7.015 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.759 8.191 7.230 1.00 0.00 H new ATOM 93 N PHE A 7 -2.553 6.137 6.494 1.00 0.00 N ATOM 94 CA PHE A 7 -3.930 5.743 6.088 1.00 0.00 C ATOM 95 C PHE A 7 -4.681 6.979 5.594 1.00 0.00 C ATOM 96 O PHE A 7 -5.096 7.053 4.456 1.00 0.00 O ATOM 97 CB PHE A 7 -4.666 5.146 7.291 1.00 0.00 C ATOM 98 CG PHE A 7 -4.150 3.754 7.562 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.195 2.781 6.557 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.629 3.438 8.820 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.718 1.490 6.812 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.151 2.148 9.076 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.195 1.173 8.072 1.00 0.00 C ATOM 0 H PHE A 7 -2.400 6.212 7.500 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.879 5.002 5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.520 5.776 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.738 5.116 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.598 3.026 5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.595 4.190 9.595 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.753 0.738 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.748 1.904 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.826 0.177 8.269 1.00 0.00 H new ATOM 113 N ASP A 8 -4.857 7.952 6.445 1.00 0.00 N ATOM 114 CA ASP A 8 -5.579 9.189 6.030 1.00 0.00 C ATOM 115 C ASP A 8 -4.705 10.004 5.071 1.00 0.00 C ATOM 116 O ASP A 8 -5.197 10.660 4.173 1.00 0.00 O ATOM 117 CB ASP A 8 -5.900 10.030 7.267 1.00 0.00 C ATOM 118 CG ASP A 8 -7.415 10.077 7.474 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.039 9.034 7.377 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.925 11.157 7.726 1.00 0.00 O ATOM 0 H ASP A 8 -4.532 7.944 7.412 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.505 8.913 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.415 9.604 8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.508 11.040 7.145 1.00 0.00 H new ATOM 125 N GLY A 9 -3.412 9.973 5.256 1.00 0.00 N ATOM 126 CA GLY A 9 -2.512 10.753 4.361 1.00 0.00 C ATOM 127 C GLY A 9 -2.545 10.155 2.957 1.00 0.00 C ATOM 128 O GLY A 9 -2.823 10.833 1.988 1.00 0.00 O ATOM 0 H GLY A 9 -2.941 9.441 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.827 11.796 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.494 10.739 4.750 1.00 0.00 H new ATOM 132 N VAL A 10 -2.267 8.887 2.839 1.00 0.00 N ATOM 133 CA VAL A 10 -2.288 8.251 1.492 1.00 0.00 C ATOM 134 C VAL A 10 -3.706 8.326 0.931 1.00 0.00 C ATOM 135 O VAL A 10 -3.908 8.592 -0.237 1.00 0.00 O ATOM 136 CB VAL A 10 -1.852 6.788 1.605 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.953 6.118 0.233 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.404 6.724 2.095 1.00 0.00 C ATOM 0 H VAL A 10 -2.027 8.266 3.612 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.601 8.774 0.826 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.500 6.270 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.643 5.076 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.984 6.164 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.305 6.636 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.093 5.682 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.243 7.242 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.329 7.202 3.072 1.00 0.00 H new ATOM 148 N ALA A 11 -4.692 8.112 1.758 1.00 0.00 N ATOM 149 CA ALA A 11 -6.096 8.193 1.271 1.00 0.00 C ATOM 150 C ALA A 11 -6.330 9.598 0.721 1.00 0.00 C ATOM 151 O ALA A 11 -7.029 9.789 -0.255 1.00 0.00 O ATOM 152 CB ALA A 11 -7.058 7.931 2.432 1.00 0.00 C ATOM 0 H ALA A 11 -4.586 7.885 2.747 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.269 7.449 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.086 7.991 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.873 6.937 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.901 8.678 3.210 1.00 0.00 H new ATOM 158 N ASP A 12 -5.734 10.583 1.337 1.00 0.00 N ATOM 159 CA ASP A 12 -5.902 11.979 0.852 1.00 0.00 C ATOM 160 C ASP A 12 -5.253 12.107 -0.526 1.00 0.00 C ATOM 161 O ASP A 12 -5.890 12.481 -1.492 1.00 0.00 O ATOM 162 CB ASP A 12 -5.222 12.942 1.826 1.00 0.00 C ATOM 163 CG ASP A 12 -6.285 13.659 2.660 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.415 13.201 2.665 1.00 0.00 O ATOM 165 OD2 ASP A 12 -5.949 14.655 3.281 1.00 0.00 O ATOM 0 H ASP A 12 -5.137 10.479 2.157 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.962 12.222 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.540 12.396 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.624 13.669 1.277 1.00 0.00 H new ATOM 170 N TYR A 13 -3.989 11.791 -0.629 1.00 0.00 N ATOM 171 CA TYR A 13 -3.312 11.887 -1.951 1.00 0.00 C ATOM 172 C TYR A 13 -4.103 11.066 -2.968 1.00 0.00 C ATOM 173 O TYR A 13 -4.075 11.329 -4.154 1.00 0.00 O ATOM 174 CB TYR A 13 -1.892 11.332 -1.843 1.00 0.00 C ATOM 175 CG TYR A 13 -1.114 11.703 -3.082 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.197 10.902 -4.227 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.313 12.851 -3.087 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.477 11.248 -5.376 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.406 13.198 -4.236 1.00 0.00 C ATOM 180 CZ TYR A 13 0.325 12.395 -5.380 1.00 0.00 C ATOM 181 OH TYR A 13 1.034 12.737 -6.514 1.00 0.00 O ATOM 0 H TYR A 13 -3.401 11.473 0.141 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.265 12.929 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.399 11.733 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.921 10.248 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.816 10.017 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.250 13.469 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.540 10.630 -6.259 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.023 14.084 -4.240 1.00 0.00 H new ATOM 0 HH TYR A 13 1.539 13.561 -6.348 1.00 0.00 H new ATOM 191 N LEU A 14 -4.815 10.077 -2.504 1.00 0.00 N ATOM 192 CA LEU A 14 -5.619 9.234 -3.428 1.00 0.00 C ATOM 193 C LEU A 14 -6.784 10.062 -3.972 1.00 0.00 C ATOM 194 O LEU A 14 -6.904 10.271 -5.159 1.00 0.00 O ATOM 195 CB LEU A 14 -6.157 8.022 -2.664 1.00 0.00 C ATOM 196 CG LEU A 14 -5.181 6.849 -2.804 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.307 5.932 -1.585 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.514 6.053 -4.068 1.00 0.00 C ATOM 0 H LEU A 14 -4.874 9.816 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.999 8.891 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.290 8.273 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.136 7.741 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.163 7.233 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.613 5.097 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.072 6.494 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.326 5.551 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.819 5.219 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.532 5.671 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.428 6.702 -4.940 1.00 0.00 H new ATOM 210 N GLN A 15 -7.640 10.542 -3.115 1.00 0.00 N ATOM 211 CA GLN A 15 -8.787 11.363 -3.593 1.00 0.00 C ATOM 212 C GLN A 15 -8.275 12.721 -4.081 1.00 0.00 C ATOM 213 O GLN A 15 -9.022 13.525 -4.603 1.00 0.00 O ATOM 214 CB GLN A 15 -9.775 11.573 -2.444 1.00 0.00 C ATOM 215 CG GLN A 15 -10.507 10.261 -2.159 1.00 0.00 C ATOM 216 CD GLN A 15 -11.585 10.495 -1.100 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.576 9.794 -1.060 1.00 0.00 O ATOM 218 NE2 GLN A 15 -11.434 11.459 -0.233 1.00 0.00 N ATOM 0 H GLN A 15 -7.596 10.402 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.287 10.848 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.246 11.909 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.491 12.353 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.959 9.879 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.801 9.506 -1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.602 12.048 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.148 11.623 0.477 1.00 0.00 H new ATOM 227 N THR A 16 -7.007 12.987 -3.913 1.00 0.00 N ATOM 228 CA THR A 16 -6.453 14.295 -4.365 1.00 0.00 C ATOM 229 C THR A 16 -5.955 14.178 -5.801 1.00 0.00 C ATOM 230 O THR A 16 -6.533 14.718 -6.723 1.00 0.00 O ATOM 231 CB THR A 16 -5.291 14.698 -3.455 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.789 14.998 -2.159 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.590 15.927 -4.033 1.00 0.00 C ATOM 0 H THR A 16 -6.332 12.355 -3.483 1.00 0.00 H new ATOM 0 HA THR A 16 -7.236 15.052 -4.317 1.00 0.00 H new ATOM 0 HB THR A 16 -4.579 13.876 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.207 14.199 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.763 16.213 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.208 15.694 -5.027 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.299 16.752 -4.101 1.00 0.00 H new ATOM 241 N TYR A 17 -4.882 13.478 -5.988 1.00 0.00 N ATOM 242 CA TYR A 17 -4.319 13.314 -7.360 1.00 0.00 C ATOM 243 C TYR A 17 -4.932 12.080 -8.023 1.00 0.00 C ATOM 244 O TYR A 17 -4.687 11.797 -9.178 1.00 0.00 O ATOM 245 CB TYR A 17 -2.802 13.138 -7.270 1.00 0.00 C ATOM 246 CG TYR A 17 -2.203 14.304 -6.522 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.064 14.243 -5.130 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.784 15.443 -7.218 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.508 15.323 -4.435 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.228 16.523 -6.522 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.090 16.462 -5.131 1.00 0.00 C ATOM 252 OH TYR A 17 -0.541 17.527 -4.445 1.00 0.00 O ATOM 0 H TYR A 17 -4.362 13.006 -5.249 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.551 14.198 -7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.563 12.204 -6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.373 13.075 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.386 13.363 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.889 15.489 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.402 15.277 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.906 17.403 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.303 18.236 -5.078 1.00 0.00 H new ATOM 262 N HIS A 18 -5.729 11.343 -7.300 1.00 0.00 N ATOM 263 CA HIS A 18 -6.359 10.127 -7.888 1.00 0.00 C ATOM 264 C HIS A 18 -5.266 9.184 -8.394 1.00 0.00 C ATOM 265 O HIS A 18 -5.231 8.817 -9.551 1.00 0.00 O ATOM 266 CB HIS A 18 -7.274 10.538 -9.040 1.00 0.00 C ATOM 267 CG HIS A 18 -8.555 11.089 -8.475 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.735 11.118 -9.202 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.857 11.632 -7.250 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.682 11.660 -8.415 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.200 11.992 -7.215 1.00 0.00 N ATOM 0 H HIS A 18 -5.972 11.530 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.950 9.613 -7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.784 11.287 -9.661 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.483 9.680 -9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.158 11.760 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.708 11.809 -8.717 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.707 12.418 -6.439 1.00 0.00 H new ATOM 279 N LYS A 19 -4.375 8.791 -7.525 1.00 0.00 N ATOM 280 CA LYS A 19 -3.274 7.871 -7.929 1.00 0.00 C ATOM 281 C LYS A 19 -2.212 7.859 -6.829 1.00 0.00 C ATOM 282 O LYS A 19 -1.780 8.896 -6.367 1.00 0.00 O ATOM 283 CB LYS A 19 -2.646 8.356 -9.238 1.00 0.00 C ATOM 284 CG LYS A 19 -2.396 9.863 -9.159 1.00 0.00 C ATOM 285 CD LYS A 19 -2.205 10.423 -10.570 1.00 0.00 C ATOM 286 CE LYS A 19 -1.043 9.702 -11.254 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.347 10.645 -12.175 1.00 0.00 N ATOM 0 H LYS A 19 -4.363 9.070 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.671 6.867 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.709 7.831 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.306 8.130 -10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.236 10.357 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.512 10.065 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.119 10.294 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.005 11.494 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.345 9.324 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.412 8.840 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.444 10.155 -12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.016 10.985 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.018 11.454 -11.633 1.00 0.00 H new ATOM 301 N LEU A 20 -1.790 6.699 -6.402 1.00 0.00 N ATOM 302 CA LEU A 20 -0.757 6.636 -5.328 1.00 0.00 C ATOM 303 C LEU A 20 0.331 7.675 -5.612 1.00 0.00 C ATOM 304 O LEU A 20 0.633 7.955 -6.755 1.00 0.00 O ATOM 305 CB LEU A 20 -0.124 5.241 -5.300 1.00 0.00 C ATOM 306 CG LEU A 20 -1.121 4.229 -4.732 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.403 2.903 -4.468 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.702 4.765 -3.421 1.00 0.00 C ATOM 0 H LEU A 20 -2.114 5.796 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.225 6.842 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.173 4.947 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.780 5.254 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.928 4.071 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.111 2.180 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.011 2.522 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.403 3.062 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.412 4.044 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.897 4.923 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.211 5.710 -3.608 1.00 0.00 H new ATOM 320 N PRO A 21 0.892 8.214 -4.560 1.00 0.00 N ATOM 321 CA PRO A 21 1.956 9.226 -4.670 1.00 0.00 C ATOM 322 C PRO A 21 3.088 8.716 -5.559 1.00 0.00 C ATOM 323 O PRO A 21 3.200 7.536 -5.828 1.00 0.00 O ATOM 324 CB PRO A 21 2.452 9.424 -3.234 1.00 0.00 C ATOM 325 CG PRO A 21 1.474 8.672 -2.295 1.00 0.00 C ATOM 326 CD PRO A 21 0.516 7.859 -3.179 1.00 0.00 C ATOM 0 HA PRO A 21 1.600 10.154 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.465 9.037 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.486 10.484 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.021 8.016 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.919 9.377 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.624 6.789 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.524 8.112 -2.974 1.00 0.00 H new ATOM 334 N ASP A 22 3.938 9.598 -6.007 1.00 0.00 N ATOM 335 CA ASP A 22 5.069 9.161 -6.865 1.00 0.00 C ATOM 336 C ASP A 22 6.078 8.399 -6.007 1.00 0.00 C ATOM 337 O ASP A 22 7.049 7.862 -6.503 1.00 0.00 O ATOM 338 CB ASP A 22 5.744 10.387 -7.488 1.00 0.00 C ATOM 339 CG ASP A 22 5.853 10.197 -9.001 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.120 9.379 -9.531 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.669 10.875 -9.606 1.00 0.00 O ATOM 0 H ASP A 22 3.897 10.599 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 22 4.700 8.514 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.168 11.285 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.735 10.528 -7.056 1.00 0.00 H new ATOM 346 N ASN A 23 5.856 8.345 -4.720 1.00 0.00 N ATOM 347 CA ASN A 23 6.806 7.614 -3.835 1.00 0.00 C ATOM 348 C ASN A 23 6.304 6.185 -3.610 1.00 0.00 C ATOM 349 O ASN A 23 6.808 5.470 -2.767 1.00 0.00 O ATOM 350 CB ASN A 23 6.912 8.333 -2.487 1.00 0.00 C ATOM 351 CG ASN A 23 5.522 8.779 -2.030 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.130 9.908 -2.253 1.00 0.00 O ATOM 353 ND2 ASN A 23 4.756 7.938 -1.392 1.00 0.00 N ATOM 0 H ASN A 23 5.061 8.774 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 23 7.787 7.585 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.354 7.670 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.571 9.197 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.829 8.228 -1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.084 6.991 -1.204 1.00 0.00 H new ATOM 360 N TYR A 24 5.317 5.759 -4.354 1.00 0.00 N ATOM 361 CA TYR A 24 4.801 4.371 -4.166 1.00 0.00 C ATOM 362 C TYR A 24 5.271 3.483 -5.316 1.00 0.00 C ATOM 363 O TYR A 24 4.630 3.384 -6.343 1.00 0.00 O ATOM 364 CB TYR A 24 3.271 4.376 -4.129 1.00 0.00 C ATOM 365 CG TYR A 24 2.810 4.443 -2.695 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.698 3.268 -1.941 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.504 5.679 -2.115 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.281 3.331 -0.607 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.084 5.742 -0.781 1.00 0.00 C ATOM 370 CZ TYR A 24 1.973 4.568 -0.027 1.00 0.00 C ATOM 371 OH TYR A 24 1.561 4.633 1.288 1.00 0.00 O ATOM 0 H TYR A 24 4.850 6.306 -5.077 1.00 0.00 H new ATOM 0 HA TYR A 24 5.183 3.983 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.885 5.228 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.881 3.478 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.933 2.314 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.592 6.585 -2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.197 2.426 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.846 6.696 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 24 1.369 3.730 1.616 1.00 0.00 H new ATOM 381 N ILE A 25 6.377 2.818 -5.141 1.00 0.00 N ATOM 382 CA ILE A 25 6.880 1.916 -6.209 1.00 0.00 C ATOM 383 C ILE A 25 6.589 0.473 -5.797 1.00 0.00 C ATOM 384 O ILE A 25 6.922 0.055 -4.707 1.00 0.00 O ATOM 385 CB ILE A 25 8.387 2.109 -6.377 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.090 1.818 -5.050 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.674 3.549 -6.802 1.00 0.00 C ATOM 388 CD1 ILE A 25 9.957 0.566 -5.196 1.00 0.00 C ATOM 0 H ILE A 25 6.955 2.861 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 25 6.388 2.143 -7.155 1.00 0.00 H new ATOM 0 HB ILE A 25 8.757 1.425 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.707 2.668 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.353 1.673 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.749 3.686 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.174 3.755 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.304 4.234 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.458 0.358 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.329 -0.282 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.703 0.729 -5.974 1.00 0.00 H new ATOM 400 N THR A 26 5.961 -0.287 -6.650 1.00 0.00 N ATOM 401 CA THR A 26 5.644 -1.696 -6.287 1.00 0.00 C ATOM 402 C THR A 26 6.897 -2.376 -5.733 1.00 0.00 C ATOM 403 O THR A 26 7.955 -1.784 -5.657 1.00 0.00 O ATOM 404 CB THR A 26 5.153 -2.452 -7.520 1.00 0.00 C ATOM 405 OG1 THR A 26 6.192 -2.505 -8.488 1.00 0.00 O ATOM 406 CG2 THR A 26 3.934 -1.742 -8.113 1.00 0.00 C ATOM 0 H THR A 26 5.655 0.005 -7.578 1.00 0.00 H new ATOM 0 HA THR A 26 4.861 -1.703 -5.528 1.00 0.00 H new ATOM 0 HB THR A 26 4.872 -3.465 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.878 -2.991 -9.279 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.588 -2.286 -8.992 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.136 -1.707 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.208 -0.726 -8.399 1.00 0.00 H new ATOM 414 N LYS A 27 6.791 -3.618 -5.343 1.00 0.00 N ATOM 415 CA LYS A 27 7.989 -4.318 -4.789 1.00 0.00 C ATOM 416 C LYS A 27 8.992 -4.580 -5.910 1.00 0.00 C ATOM 417 O LYS A 27 10.165 -4.303 -5.776 1.00 0.00 O ATOM 418 CB LYS A 27 7.616 -5.658 -4.138 1.00 0.00 C ATOM 419 CG LYS A 27 6.105 -5.764 -3.921 1.00 0.00 C ATOM 420 CD LYS A 27 5.454 -6.360 -5.172 1.00 0.00 C ATOM 421 CE LYS A 27 5.817 -7.842 -5.278 1.00 0.00 C ATOM 422 NZ LYS A 27 4.580 -8.665 -5.166 1.00 0.00 N ATOM 0 H LYS A 27 5.937 -4.174 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 27 8.424 -3.673 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.954 -6.479 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.131 -5.758 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.894 -6.390 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.686 -4.779 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.371 -6.242 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.793 -5.827 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.313 -8.039 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.519 -8.113 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.826 -9.673 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.125 -8.484 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.925 -8.413 -5.933 1.00 0.00 H new ATOM 436 N SER A 28 8.547 -5.112 -7.014 1.00 0.00 N ATOM 437 CA SER A 28 9.494 -5.383 -8.130 1.00 0.00 C ATOM 438 C SER A 28 10.247 -4.095 -8.450 1.00 0.00 C ATOM 439 O SER A 28 11.426 -4.104 -8.754 1.00 0.00 O ATOM 440 CB SER A 28 8.715 -5.845 -9.363 1.00 0.00 C ATOM 441 OG SER A 28 9.477 -5.564 -10.530 1.00 0.00 O ATOM 0 H SER A 28 7.576 -5.369 -7.191 1.00 0.00 H new ATOM 0 HA SER A 28 10.198 -6.165 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.508 -6.913 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.752 -5.336 -9.411 1.00 0.00 H new ATOM 0 HG SER A 28 8.982 -5.860 -11.323 1.00 0.00 H new ATOM 447 N GLU A 29 9.574 -2.982 -8.368 1.00 0.00 N ATOM 448 CA GLU A 29 10.245 -1.688 -8.654 1.00 0.00 C ATOM 449 C GLU A 29 11.404 -1.506 -7.678 1.00 0.00 C ATOM 450 O GLU A 29 12.468 -1.050 -8.046 1.00 0.00 O ATOM 451 CB GLU A 29 9.245 -0.543 -8.489 1.00 0.00 C ATOM 452 CG GLU A 29 8.471 -0.350 -9.794 1.00 0.00 C ATOM 453 CD GLU A 29 7.746 0.995 -9.763 1.00 0.00 C ATOM 454 OE1 GLU A 29 8.408 2.006 -9.932 1.00 0.00 O ATOM 455 OE2 GLU A 29 6.541 0.992 -9.571 1.00 0.00 O ATOM 0 H GLU A 29 8.588 -2.914 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 29 10.622 -1.685 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.556 -0.763 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.768 0.376 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.154 -0.388 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.753 -1.159 -9.926 1.00 0.00 H new ATOM 462 N ALA A 30 11.218 -1.872 -6.436 1.00 0.00 N ATOM 463 CA ALA A 30 12.327 -1.727 -5.455 1.00 0.00 C ATOM 464 C ALA A 30 13.412 -2.742 -5.803 1.00 0.00 C ATOM 465 O ALA A 30 14.588 -2.502 -5.622 1.00 0.00 O ATOM 466 CB ALA A 30 11.806 -1.992 -4.041 1.00 0.00 C ATOM 0 H ALA A 30 10.352 -2.262 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 30 12.732 -0.716 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.622 -1.885 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.019 -1.276 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.405 -3.004 -3.985 1.00 0.00 H new ATOM 472 N GLN A 31 13.019 -3.875 -6.321 1.00 0.00 N ATOM 473 CA GLN A 31 14.020 -4.904 -6.703 1.00 0.00 C ATOM 474 C GLN A 31 14.857 -4.352 -7.853 1.00 0.00 C ATOM 475 O GLN A 31 16.020 -4.674 -8.001 1.00 0.00 O ATOM 476 CB GLN A 31 13.301 -6.178 -7.152 1.00 0.00 C ATOM 477 CG GLN A 31 13.025 -7.064 -5.936 1.00 0.00 C ATOM 478 CD GLN A 31 13.231 -8.533 -6.315 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.280 -9.252 -6.544 1.00 0.00 O ATOM 480 NE2 GLN A 31 14.444 -9.010 -6.391 1.00 0.00 N ATOM 0 H GLN A 31 12.047 -4.129 -6.495 1.00 0.00 H new ATOM 0 HA GLN A 31 14.660 -5.143 -5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.365 -5.924 -7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.912 -6.717 -7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.691 -6.792 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.005 -6.908 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.243 -8.406 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.593 -9.987 -6.643 1.00 0.00 H new ATOM 489 N ALA A 32 14.272 -3.518 -8.669 1.00 0.00 N ATOM 490 CA ALA A 32 15.029 -2.939 -9.805 1.00 0.00 C ATOM 491 C ALA A 32 16.193 -2.112 -9.268 1.00 0.00 C ATOM 492 O ALA A 32 17.255 -2.048 -9.854 1.00 0.00 O ATOM 493 CB ALA A 32 14.105 -2.048 -10.639 1.00 0.00 C ATOM 0 H ALA A 32 13.301 -3.215 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 32 15.414 -3.743 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.664 -1.624 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.276 -2.642 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.716 -1.243 -10.016 1.00 0.00 H new ATOM 499 N LEU A 33 15.990 -1.480 -8.154 1.00 0.00 N ATOM 500 CA LEU A 33 17.066 -0.645 -7.550 1.00 0.00 C ATOM 501 C LEU A 33 18.047 -1.531 -6.786 1.00 0.00 C ATOM 502 O LEU A 33 19.107 -1.099 -6.378 1.00 0.00 O ATOM 503 CB LEU A 33 16.431 0.361 -6.601 1.00 0.00 C ATOM 504 CG LEU A 33 15.456 1.221 -7.396 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.026 0.769 -7.107 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.639 2.682 -6.995 1.00 0.00 C ATOM 0 H LEU A 33 15.117 -1.504 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 33 17.609 -0.120 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.911 -0.155 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.197 0.984 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 33 15.650 1.115 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.328 1.384 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.909 -0.275 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.819 0.875 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.945 3.304 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.442 2.794 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.661 2.993 -7.210 1.00 0.00 H new ATOM 518 N GLY A 34 17.696 -2.768 -6.585 1.00 0.00 N ATOM 519 CA GLY A 34 18.599 -3.692 -5.844 1.00 0.00 C ATOM 520 C GLY A 34 18.035 -3.934 -4.443 1.00 0.00 C ATOM 521 O GLY A 34 18.711 -3.745 -3.451 1.00 0.00 O ATOM 0 H GLY A 34 16.820 -3.182 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.691 -4.637 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.600 -3.265 -5.777 1.00 0.00 H new ATOM 525 N TRP A 35 16.801 -4.348 -4.353 1.00 0.00 N ATOM 526 CA TRP A 35 16.194 -4.597 -3.015 1.00 0.00 C ATOM 527 C TRP A 35 16.014 -6.104 -2.806 1.00 0.00 C ATOM 528 O TRP A 35 15.548 -6.814 -3.676 1.00 0.00 O ATOM 529 CB TRP A 35 14.835 -3.878 -2.932 1.00 0.00 C ATOM 530 CG TRP A 35 13.882 -4.635 -2.051 1.00 0.00 C ATOM 531 CD1 TRP A 35 14.047 -4.865 -0.727 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.627 -5.270 -2.422 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.964 -5.596 -0.264 1.00 0.00 N ATOM 534 CE2 TRP A 35 12.062 -5.869 -1.274 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.934 -5.377 -3.634 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.845 -6.552 -1.332 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.710 -6.063 -3.698 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.167 -6.649 -2.547 1.00 0.00 C ATOM 0 H TRP A 35 16.187 -4.525 -5.148 1.00 0.00 H new ATOM 0 HA TRP A 35 16.849 -4.211 -2.234 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.975 -2.870 -2.541 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.411 -3.777 -3.931 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.884 -4.534 -0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.847 -5.896 0.704 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.344 -4.928 -4.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.432 -7.002 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.185 -6.139 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.225 -7.175 -2.600 1.00 0.00 H new ATOM 549 N VAL A 36 16.355 -6.586 -1.645 1.00 0.00 N ATOM 550 CA VAL A 36 16.179 -8.034 -1.361 1.00 0.00 C ATOM 551 C VAL A 36 14.782 -8.233 -0.775 1.00 0.00 C ATOM 552 O VAL A 36 14.392 -7.557 0.156 1.00 0.00 O ATOM 553 CB VAL A 36 17.232 -8.495 -0.350 1.00 0.00 C ATOM 554 CG1 VAL A 36 17.277 -10.023 -0.321 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.603 -7.953 -0.762 1.00 0.00 C ATOM 0 H VAL A 36 16.749 -6.038 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 36 16.295 -8.616 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 36 16.974 -8.121 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 36 18.027 -10.351 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.301 -10.410 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.536 -10.398 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.354 -8.280 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.860 -8.329 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.572 -6.864 -0.784 1.00 0.00 H new ATOM 565 N ALA A 37 14.014 -9.135 -1.317 1.00 0.00 N ATOM 566 CA ALA A 37 12.638 -9.338 -0.788 1.00 0.00 C ATOM 567 C ALA A 37 12.692 -9.763 0.681 1.00 0.00 C ATOM 568 O ALA A 37 11.688 -9.779 1.364 1.00 0.00 O ATOM 569 CB ALA A 37 11.915 -10.403 -1.607 1.00 0.00 C ATOM 0 H ALA A 37 14.277 -9.736 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 37 12.093 -8.397 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.909 -10.545 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.855 -10.083 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.464 -11.343 -1.547 1.00 0.00 H new ATOM 615 N ASN A 41 16.051 -4.847 4.316 1.00 0.00 N ATOM 616 CA ASN A 41 17.000 -3.810 3.819 1.00 0.00 C ATOM 617 C ASN A 41 16.360 -3.021 2.672 1.00 0.00 C ATOM 618 O ASN A 41 17.028 -2.609 1.745 1.00 0.00 O ATOM 619 CB ASN A 41 18.283 -4.484 3.328 1.00 0.00 C ATOM 620 CG ASN A 41 17.989 -5.303 2.069 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.535 -6.426 2.154 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.231 -4.784 0.897 1.00 0.00 N ATOM 0 HA ASN A 41 17.238 -3.124 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 41 19.041 -3.731 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.686 -5.130 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.039 -5.322 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.612 -3.841 0.826 1.00 0.00 H new ATOM 629 N LEU A 42 15.074 -2.796 2.734 1.00 0.00 N ATOM 630 CA LEU A 42 14.400 -2.020 1.652 1.00 0.00 C ATOM 631 C LEU A 42 14.899 -0.582 1.691 1.00 0.00 C ATOM 632 O LEU A 42 15.519 -0.095 0.769 1.00 0.00 O ATOM 633 CB LEU A 42 12.889 -2.017 1.891 1.00 0.00 C ATOM 634 CG LEU A 42 12.164 -1.342 0.716 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.829 -1.720 -0.610 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.703 -1.798 0.692 1.00 0.00 C ATOM 0 H LEU A 42 14.462 -3.115 3.485 1.00 0.00 H new ATOM 0 HA LEU A 42 14.622 -2.474 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.531 -3.040 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.662 -1.491 2.818 1.00 0.00 H new ATOM 0 HG LEU A 42 12.217 -0.261 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.304 -1.234 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.869 -1.395 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.788 -2.801 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.186 -1.321 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.662 -2.881 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.219 -1.518 1.628 1.00 0.00 H new ATOM 648 N ALA A 43 14.625 0.095 2.766 1.00 0.00 N ATOM 649 CA ALA A 43 15.069 1.513 2.903 1.00 0.00 C ATOM 650 C ALA A 43 16.597 1.602 2.787 1.00 0.00 C ATOM 651 O ALA A 43 17.155 2.677 2.686 1.00 0.00 O ATOM 652 CB ALA A 43 14.632 2.050 4.266 1.00 0.00 C ATOM 0 H ALA A 43 14.108 -0.273 3.565 1.00 0.00 H new ATOM 0 HA ALA A 43 14.617 2.107 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.955 3.086 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.546 1.999 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.083 1.449 5.056 1.00 0.00 H new ATOM 658 N ASP A 44 17.282 0.489 2.805 1.00 0.00 N ATOM 659 CA ASP A 44 18.769 0.528 2.700 1.00 0.00 C ATOM 660 C ASP A 44 19.179 0.739 1.240 1.00 0.00 C ATOM 661 O ASP A 44 20.154 1.403 0.952 1.00 0.00 O ATOM 662 CB ASP A 44 19.348 -0.797 3.203 1.00 0.00 C ATOM 663 CG ASP A 44 19.485 -0.748 4.724 1.00 0.00 C ATOM 664 OD1 ASP A 44 18.464 -0.742 5.392 1.00 0.00 O ATOM 665 OD2 ASP A 44 20.610 -0.720 5.199 1.00 0.00 O ATOM 0 H ASP A 44 16.876 -0.443 2.888 1.00 0.00 H new ATOM 0 HA ASP A 44 19.152 1.350 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.700 -1.623 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.320 -0.978 2.745 1.00 0.00 H new ATOM 670 N VAL A 45 18.443 0.184 0.316 1.00 0.00 N ATOM 671 CA VAL A 45 18.798 0.364 -1.122 1.00 0.00 C ATOM 672 C VAL A 45 17.936 1.477 -1.720 1.00 0.00 C ATOM 673 O VAL A 45 18.429 2.371 -2.378 1.00 0.00 O ATOM 674 CB VAL A 45 18.552 -0.941 -1.883 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.418 -2.052 -1.288 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.076 -1.334 -1.770 1.00 0.00 C ATOM 0 H VAL A 45 17.614 -0.384 0.493 1.00 0.00 H new ATOM 0 HA VAL A 45 19.851 0.633 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 45 18.811 -0.798 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.242 -2.981 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.470 -1.777 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.161 -2.191 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.904 -2.263 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.816 -1.473 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.456 -0.545 -2.196 1.00 0.00 H new ATOM 686 N ALA A 46 16.652 1.432 -1.492 1.00 0.00 N ATOM 687 CA ALA A 46 15.757 2.487 -2.041 1.00 0.00 C ATOM 688 C ALA A 46 15.092 3.239 -0.882 1.00 0.00 C ATOM 689 O ALA A 46 13.938 3.013 -0.581 1.00 0.00 O ATOM 690 CB ALA A 46 14.679 1.838 -2.912 1.00 0.00 C ATOM 0 H ALA A 46 16.184 0.708 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 46 16.339 3.184 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.023 2.610 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.151 1.298 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.094 1.143 -2.310 1.00 0.00 H new ATOM 696 N PRO A 47 15.848 4.113 -0.264 1.00 0.00 N ATOM 697 CA PRO A 47 15.357 4.913 0.872 1.00 0.00 C ATOM 698 C PRO A 47 14.166 5.774 0.441 1.00 0.00 C ATOM 699 O PRO A 47 14.010 6.100 -0.719 1.00 0.00 O ATOM 700 CB PRO A 47 16.546 5.797 1.273 1.00 0.00 C ATOM 701 CG PRO A 47 17.723 5.465 0.321 1.00 0.00 C ATOM 702 CD PRO A 47 17.247 4.372 -0.648 1.00 0.00 C ATOM 0 HA PRO A 47 15.012 4.291 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.280 6.852 1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.828 5.611 2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.033 6.354 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.589 5.123 0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.318 4.703 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.855 3.472 -0.559 1.00 0.00 H new ATOM 710 N GLY A 48 13.324 6.144 1.367 1.00 0.00 N ATOM 711 CA GLY A 48 12.145 6.984 1.012 1.00 0.00 C ATOM 712 C GLY A 48 11.362 6.312 -0.117 1.00 0.00 C ATOM 713 O GLY A 48 11.254 6.837 -1.207 1.00 0.00 O ATOM 0 H GLY A 48 13.402 5.901 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.504 7.118 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.472 7.976 0.702 1.00 0.00 H new ATOM 717 N LYS A 49 10.816 5.154 0.135 1.00 0.00 N ATOM 718 CA LYS A 49 10.042 4.451 -0.926 1.00 0.00 C ATOM 719 C LYS A 49 8.805 3.795 -0.308 1.00 0.00 C ATOM 720 O LYS A 49 8.775 3.487 0.867 1.00 0.00 O ATOM 721 CB LYS A 49 10.920 3.378 -1.572 1.00 0.00 C ATOM 722 CG LYS A 49 11.372 3.852 -2.954 1.00 0.00 C ATOM 723 CD LYS A 49 12.727 4.554 -2.838 1.00 0.00 C ATOM 724 CE LYS A 49 13.166 5.045 -4.218 1.00 0.00 C ATOM 725 NZ LYS A 49 13.817 6.379 -4.088 1.00 0.00 N ATOM 0 H LYS A 49 10.872 4.665 1.028 1.00 0.00 H new ATOM 0 HA LYS A 49 9.730 5.170 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.787 3.176 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.365 2.444 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.448 3.003 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.633 4.533 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.656 5.394 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.470 3.869 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.859 4.333 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.305 5.112 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.115 6.713 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.142 7.056 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.648 6.301 -3.468 1.00 0.00 H new ATOM 739 N SER A 50 7.784 3.579 -1.091 1.00 0.00 N ATOM 740 CA SER A 50 6.549 2.943 -0.552 1.00 0.00 C ATOM 741 C SER A 50 6.084 1.845 -1.509 1.00 0.00 C ATOM 742 O SER A 50 5.850 2.085 -2.674 1.00 0.00 O ATOM 743 CB SER A 50 5.452 4.000 -0.415 1.00 0.00 C ATOM 744 OG SER A 50 5.907 5.041 0.440 1.00 0.00 O ATOM 0 H SER A 50 7.752 3.816 -2.083 1.00 0.00 H new ATOM 0 HA SER A 50 6.758 2.508 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.196 4.404 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.546 3.550 -0.009 1.00 0.00 H new ATOM 0 HG SER A 50 5.207 5.721 0.529 1.00 0.00 H new ATOM 750 N ILE A 51 5.945 0.640 -1.030 1.00 0.00 N ATOM 751 CA ILE A 51 5.492 -0.464 -1.921 1.00 0.00 C ATOM 752 C ILE A 51 3.968 -0.402 -2.057 1.00 0.00 C ATOM 753 O ILE A 51 3.243 -0.754 -1.148 1.00 0.00 O ATOM 754 CB ILE A 51 5.895 -1.812 -1.316 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.340 -1.737 -0.811 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.781 -2.903 -2.382 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.308 -1.777 -1.997 1.00 0.00 C ATOM 0 H ILE A 51 6.125 0.373 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 51 5.956 -0.357 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 51 5.233 -2.048 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.488 -0.820 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.543 -2.569 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.068 -3.863 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.752 -2.958 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.442 -2.667 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.334 -1.723 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.168 -2.706 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.113 -0.930 -2.655 1.00 0.00 H new ATOM 769 N GLY A 52 3.472 0.046 -3.179 1.00 0.00 N ATOM 770 CA GLY A 52 1.994 0.129 -3.347 1.00 0.00 C ATOM 771 C GLY A 52 1.629 -0.043 -4.820 1.00 0.00 C ATOM 772 O GLY A 52 2.485 -0.090 -5.682 1.00 0.00 O ATOM 0 H GLY A 52 4.022 0.356 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.507 -0.642 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.631 1.090 -2.983 1.00 0.00 H new ATOM 776 N GLY A 53 0.363 -0.139 -5.114 1.00 0.00 N ATOM 777 CA GLY A 53 -0.062 -0.309 -6.533 1.00 0.00 C ATOM 778 C GLY A 53 -0.156 -1.799 -6.861 1.00 0.00 C ATOM 779 O GLY A 53 -0.295 -2.185 -8.004 1.00 0.00 O ATOM 0 H GLY A 53 -0.397 -0.107 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.027 0.172 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.652 0.177 -7.198 1.00 0.00 H new ATOM 783 N ASP A 54 -0.080 -2.640 -5.866 1.00 0.00 N ATOM 784 CA ASP A 54 -0.166 -4.105 -6.122 1.00 0.00 C ATOM 785 C ASP A 54 -1.636 -4.519 -6.217 1.00 0.00 C ATOM 786 O ASP A 54 -2.483 -4.007 -5.512 1.00 0.00 O ATOM 787 CB ASP A 54 0.507 -4.862 -4.975 1.00 0.00 C ATOM 788 CG ASP A 54 1.828 -4.179 -4.618 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.371 -3.498 -5.473 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.275 -4.347 -3.495 1.00 0.00 O ATOM 0 H ASP A 54 0.038 -2.376 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 54 0.339 -4.343 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.150 -4.884 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.687 -5.897 -5.265 1.00 0.00 H new ATOM 795 N ILE A 55 -1.943 -5.445 -7.083 1.00 0.00 N ATOM 796 CA ILE A 55 -3.358 -5.891 -7.224 1.00 0.00 C ATOM 797 C ILE A 55 -3.775 -6.666 -5.973 1.00 0.00 C ATOM 798 O ILE A 55 -3.042 -7.493 -5.468 1.00 0.00 O ATOM 799 CB ILE A 55 -3.490 -6.792 -8.455 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.389 -5.936 -9.720 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.843 -7.506 -8.428 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.668 -5.112 -9.886 1.00 0.00 C ATOM 0 H ILE A 55 -1.277 -5.912 -7.698 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.004 -5.021 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.692 -7.534 -8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.524 -5.275 -9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.239 -6.573 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.934 -8.146 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.916 -8.114 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.644 -6.767 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.594 -4.503 -10.787 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.524 -5.782 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.798 -4.463 -9.020 1.00 0.00 H new ATOM 814 N PHE A 56 -4.948 -6.402 -5.471 1.00 0.00 N ATOM 815 CA PHE A 56 -5.417 -7.117 -4.252 1.00 0.00 C ATOM 816 C PHE A 56 -6.574 -8.047 -4.625 1.00 0.00 C ATOM 817 O PHE A 56 -7.725 -7.659 -4.613 1.00 0.00 O ATOM 818 CB PHE A 56 -5.891 -6.092 -3.220 1.00 0.00 C ATOM 819 CG PHE A 56 -6.293 -6.799 -1.948 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.319 -7.399 -1.142 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.641 -6.850 -1.575 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.694 -8.051 0.039 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.015 -7.501 -0.394 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.041 -8.101 0.414 1.00 0.00 C ATOM 0 H PHE A 56 -5.604 -5.720 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.602 -7.706 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.096 -5.375 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.735 -5.527 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.279 -7.359 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.392 -6.387 -2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.943 -8.516 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.055 -7.541 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.330 -8.602 1.326 1.00 0.00 H new ATOM 905 N LYS A 62 -12.550 -9.953 2.820 1.00 0.00 N ATOM 906 CA LYS A 62 -13.298 -9.174 3.845 1.00 0.00 C ATOM 907 C LYS A 62 -13.652 -7.793 3.282 1.00 0.00 C ATOM 908 O LYS A 62 -14.303 -6.998 3.930 1.00 0.00 O ATOM 909 CB LYS A 62 -12.430 -9.012 5.094 1.00 0.00 C ATOM 910 CG LYS A 62 -13.020 -9.841 6.236 1.00 0.00 C ATOM 911 CD LYS A 62 -13.165 -8.964 7.481 1.00 0.00 C ATOM 912 CE LYS A 62 -13.582 -9.831 8.672 1.00 0.00 C ATOM 913 NZ LYS A 62 -12.365 -10.307 9.388 1.00 0.00 N ATOM 0 HA LYS A 62 -14.215 -9.703 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.410 -9.335 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.380 -7.962 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.991 -10.241 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.376 -10.693 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.222 -8.461 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.908 -8.186 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.215 -9.258 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.171 -10.681 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.647 -10.896 10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.778 -10.868 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.820 -9.489 9.728 1.00 0.00 H new ATOM 927 N LEU A 63 -13.234 -7.505 2.079 1.00 0.00 N ATOM 928 CA LEU A 63 -13.552 -6.179 1.476 1.00 0.00 C ATOM 929 C LEU A 63 -14.812 -6.307 0.612 1.00 0.00 C ATOM 930 O LEU A 63 -15.040 -7.335 0.006 1.00 0.00 O ATOM 931 CB LEU A 63 -12.388 -5.722 0.594 1.00 0.00 C ATOM 932 CG LEU A 63 -11.313 -5.057 1.457 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.939 -5.336 0.852 1.00 0.00 C ATOM 934 CD2 LEU A 63 -11.547 -3.547 1.490 1.00 0.00 C ATOM 0 H LEU A 63 -12.686 -8.130 1.488 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.716 -5.451 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.965 -6.575 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.745 -5.022 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.361 -5.457 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.170 -4.864 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.767 -6.412 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.898 -4.931 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.781 -3.074 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.496 -3.149 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.530 -3.340 1.912 1.00 0.00 H new ATOM 946 N PRO A 64 -15.589 -5.255 0.575 1.00 0.00 N ATOM 947 CA PRO A 64 -16.830 -5.228 -0.218 1.00 0.00 C ATOM 948 C PRO A 64 -16.501 -5.402 -1.705 1.00 0.00 C ATOM 949 O PRO A 64 -16.369 -4.441 -2.437 1.00 0.00 O ATOM 950 CB PRO A 64 -17.434 -3.841 0.043 1.00 0.00 C ATOM 951 CG PRO A 64 -16.476 -3.083 0.999 1.00 0.00 C ATOM 952 CD PRO A 64 -15.297 -4.016 1.318 1.00 0.00 C ATOM 0 HA PRO A 64 -17.518 -6.028 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.554 -3.294 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.425 -3.933 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.121 -2.163 0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.996 -2.797 1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.350 -3.579 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.220 -4.205 2.389 1.00 0.00 H new ATOM 960 N GLY A 65 -16.361 -6.620 -2.154 1.00 0.00 N ATOM 961 CA GLY A 65 -16.032 -6.850 -3.590 1.00 0.00 C ATOM 962 C GLY A 65 -17.310 -7.156 -4.374 1.00 0.00 C ATOM 963 O GLY A 65 -18.409 -6.926 -3.907 1.00 0.00 O ATOM 0 H GLY A 65 -16.460 -7.464 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.542 -5.969 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.330 -7.679 -3.683 1.00 0.00 H new ATOM 1031 N THR A 70 -11.750 -6.255 -8.733 1.00 0.00 N ATOM 1032 CA THR A 70 -10.304 -6.213 -8.375 1.00 0.00 C ATOM 1033 C THR A 70 -10.048 -5.047 -7.419 1.00 0.00 C ATOM 1034 O THR A 70 -10.503 -3.941 -7.637 1.00 0.00 O ATOM 1035 CB THR A 70 -9.468 -6.027 -9.643 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.880 -6.970 -10.623 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.989 -6.240 -9.316 1.00 0.00 C ATOM 0 HA THR A 70 -10.024 -7.148 -7.890 1.00 0.00 H new ATOM 0 HB THR A 70 -9.611 -5.017 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.806 -7.240 -10.448 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.394 -6.107 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.674 -5.516 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.843 -7.249 -8.930 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.321 -5.284 -6.361 1.00 0.00 N ATOM 1046 CA TRP A 71 -9.035 -4.190 -5.392 1.00 0.00 C ATOM 1047 C TRP A 71 -7.608 -3.679 -5.605 1.00 0.00 C ATOM 1048 O TRP A 71 -6.843 -4.240 -6.363 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.170 -4.726 -3.964 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.589 -4.606 -3.512 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.601 -5.414 -3.905 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.172 -3.643 -2.587 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.766 -5.006 -3.280 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.553 -3.918 -2.459 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.640 -2.565 -1.855 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.377 -3.153 -1.633 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.468 -1.793 -1.024 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.834 -2.088 -0.914 1.00 0.00 C ATOM 0 H TRP A 71 -8.913 -6.189 -6.126 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.742 -3.375 -5.547 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.853 -5.768 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.516 -4.169 -3.293 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.514 -6.241 -4.593 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.672 -5.455 -3.410 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.589 -2.330 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.429 -3.384 -1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.050 -0.968 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.466 -1.491 -0.273 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.244 -2.622 -4.933 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.866 -2.076 -5.081 1.00 0.00 C ATOM 1071 C ARG A 72 -5.251 -1.923 -3.690 1.00 0.00 C ATOM 1072 O ARG A 72 -5.877 -1.417 -2.783 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.930 -0.714 -5.775 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.863 -0.803 -6.985 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.399 0.178 -8.063 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.678 -0.394 -9.410 1.00 0.00 N ATOM 1077 CZ ARG A 72 -6.646 0.375 -10.464 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -5.941 1.474 -10.449 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -7.319 0.048 -11.533 1.00 0.00 N ATOM 0 H ARG A 72 -7.844 -2.111 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.256 -2.750 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.290 0.044 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.933 -0.408 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.867 -1.819 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.886 -0.574 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.914 1.132 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.333 0.376 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.894 -1.386 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.415 1.731 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.916 2.075 -11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.871 -0.810 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.293 0.650 -12.356 1.00 0.00 H new ATOM 1093 N GLU A 73 -4.039 -2.369 -3.501 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.418 -2.256 -2.150 1.00 0.00 C ATOM 1095 C GLU A 73 -2.190 -1.346 -2.196 1.00 0.00 C ATOM 1096 O GLU A 73 -1.466 -1.303 -3.173 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.998 -3.645 -1.669 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.782 -4.116 -2.470 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.916 -5.609 -2.775 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -2.498 -5.935 -3.796 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -1.433 -6.400 -1.982 1.00 0.00 O ATOM 0 H GLU A 73 -3.456 -2.803 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.148 -1.826 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.758 -3.616 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.822 -4.348 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.704 -3.550 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.868 -3.930 -1.906 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.944 -0.629 -1.132 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.756 0.268 -1.090 1.00 0.00 C ATOM 1110 C ALA A 74 -0.080 0.131 0.277 1.00 0.00 C ATOM 1111 O ALA A 74 -0.726 -0.112 1.278 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.192 1.719 -1.301 1.00 0.00 C ATOM 0 H ALA A 74 -2.517 -0.627 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.059 -0.011 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.318 2.370 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.681 1.815 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.888 2.008 -0.514 1.00 0.00 H new ATOM 1118 N ASP A 75 1.215 0.279 0.326 1.00 0.00 N ATOM 1119 CA ASP A 75 1.933 0.147 1.627 1.00 0.00 C ATOM 1120 C ASP A 75 1.643 1.367 2.503 1.00 0.00 C ATOM 1121 O ASP A 75 1.899 2.492 2.123 1.00 0.00 O ATOM 1122 CB ASP A 75 3.438 0.049 1.371 1.00 0.00 C ATOM 1123 CG ASP A 75 3.846 -1.422 1.287 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.039 -2.215 0.831 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.959 -1.731 1.681 1.00 0.00 O ATOM 0 H ASP A 75 1.808 0.486 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 75 1.590 -0.753 2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.694 0.562 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.987 0.545 2.172 1.00 0.00 H new ATOM 1130 N ILE A 76 1.117 1.152 3.679 1.00 0.00 N ATOM 1131 CA ILE A 76 0.816 2.297 4.583 1.00 0.00 C ATOM 1132 C ILE A 76 1.772 2.265 5.777 1.00 0.00 C ATOM 1133 O ILE A 76 2.048 1.222 6.335 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.626 2.188 5.084 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.591 2.361 3.909 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.892 3.278 6.123 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.502 3.794 3.377 1.00 0.00 C ATOM 0 H ILE A 76 0.883 0.232 4.052 1.00 0.00 H new ATOM 0 HA ILE A 76 0.941 3.233 4.038 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.776 1.208 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.346 1.653 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.610 2.143 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.919 3.199 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.207 3.156 6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.739 4.258 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.190 3.915 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.768 4.493 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.484 3.995 3.042 1.00 0.00 H new ATOM 1149 N ASN A 77 2.283 3.399 6.171 1.00 0.00 N ATOM 1150 CA ASN A 77 3.224 3.429 7.327 1.00 0.00 C ATOM 1151 C ASN A 77 4.551 2.789 6.914 1.00 0.00 C ATOM 1152 O ASN A 77 4.598 1.649 6.500 1.00 0.00 O ATOM 1153 CB ASN A 77 2.622 2.648 8.497 1.00 0.00 C ATOM 1154 CG ASN A 77 2.450 3.579 9.699 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.581 4.428 9.705 1.00 0.00 O ATOM 1156 ND2 ASN A 77 3.248 3.454 10.724 1.00 0.00 N ATOM 0 H ASN A 77 2.090 4.305 5.744 1.00 0.00 H new ATOM 0 HA ASN A 77 3.395 4.461 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.659 2.227 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.269 1.812 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.142 4.069 11.531 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.977 2.741 10.718 1.00 0.00 H new ATOM 1163 N TYR A 78 5.629 3.514 7.027 1.00 0.00 N ATOM 1164 CA TYR A 78 6.946 2.948 6.645 1.00 0.00 C ATOM 1165 C TYR A 78 8.058 3.896 7.098 1.00 0.00 C ATOM 1166 O TYR A 78 8.224 4.975 6.565 1.00 0.00 O ATOM 1167 CB TYR A 78 7.008 2.769 5.128 1.00 0.00 C ATOM 1168 CG TYR A 78 8.021 1.703 4.788 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.372 1.898 5.098 1.00 0.00 C ATOM 1170 CD2 TYR A 78 7.610 0.519 4.164 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.312 0.910 4.784 1.00 0.00 C ATOM 1172 CE2 TYR A 78 8.550 -0.469 3.849 1.00 0.00 C ATOM 1173 CZ TYR A 78 9.901 -0.274 4.160 1.00 0.00 C ATOM 1174 OH TYR A 78 10.828 -1.249 3.848 1.00 0.00 O ATOM 0 H TYR A 78 5.651 4.475 7.368 1.00 0.00 H new ATOM 0 HA TYR A 78 7.078 1.979 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.027 2.489 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.281 3.710 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.689 2.811 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.567 0.368 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.354 1.061 5.023 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.233 -1.382 3.366 1.00 0.00 H new ATOM 0 HH TYR A 78 10.802 -1.955 4.527 1.00 0.00 H new ATOM 1184 N THR A 79 8.822 3.499 8.078 1.00 0.00 N ATOM 1185 CA THR A 79 9.922 4.373 8.567 1.00 0.00 C ATOM 1186 C THR A 79 11.262 3.714 8.266 1.00 0.00 C ATOM 1187 O THR A 79 11.948 4.063 7.326 1.00 0.00 O ATOM 1188 CB THR A 79 9.780 4.573 10.077 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.196 3.413 10.654 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.890 5.786 10.353 1.00 0.00 C ATOM 0 H THR A 79 8.731 2.605 8.561 1.00 0.00 H new ATOM 0 HA THR A 79 9.870 5.340 8.066 1.00 0.00 H new ATOM 0 HB THR A 79 10.764 4.741 10.515 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.106 3.539 11.622 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.790 5.927 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.340 6.675 9.911 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.905 5.622 9.916 1.00 0.00 H new ATOM 1198 N SER A 80 11.633 2.765 9.063 1.00 0.00 N ATOM 1199 CA SER A 80 12.929 2.063 8.849 1.00 0.00 C ATOM 1200 C SER A 80 12.865 0.673 9.484 1.00 0.00 C ATOM 1201 O SER A 80 12.108 0.434 10.403 1.00 0.00 O ATOM 1202 CB SER A 80 14.057 2.870 9.493 1.00 0.00 C ATOM 1203 OG SER A 80 14.363 2.317 10.767 1.00 0.00 O ATOM 0 H SER A 80 11.093 2.437 9.864 1.00 0.00 H new ATOM 0 HA SER A 80 13.119 1.965 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.941 2.854 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.759 3.913 9.599 1.00 0.00 H new ATOM 0 HG SER A 80 15.087 2.831 11.182 1.00 0.00 H new ATOM 1209 N GLY A 81 13.658 -0.247 9.005 1.00 0.00 N ATOM 1210 CA GLY A 81 13.643 -1.619 9.586 1.00 0.00 C ATOM 1211 C GLY A 81 12.940 -2.577 8.622 1.00 0.00 C ATOM 1212 O GLY A 81 12.810 -2.306 7.445 1.00 0.00 O ATOM 0 H GLY A 81 14.315 -0.108 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.662 -1.957 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.129 -1.612 10.547 1.00 0.00 H new ATOM 1216 N PHE A 82 12.485 -3.698 9.113 1.00 0.00 N ATOM 1217 CA PHE A 82 11.791 -4.674 8.228 1.00 0.00 C ATOM 1218 C PHE A 82 10.470 -4.073 7.741 1.00 0.00 C ATOM 1219 O PHE A 82 9.905 -3.201 8.372 1.00 0.00 O ATOM 1220 CB PHE A 82 11.507 -5.959 9.010 1.00 0.00 C ATOM 1221 CG PHE A 82 12.388 -7.074 8.495 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.770 -7.030 8.710 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.820 -8.150 7.803 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.586 -8.064 8.233 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.636 -9.185 7.326 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.018 -9.141 7.542 1.00 0.00 C ATOM 0 H PHE A 82 12.565 -3.979 10.090 1.00 0.00 H new ATOM 0 HA PHE A 82 12.425 -4.901 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.691 -5.798 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.457 -6.235 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.207 -6.199 9.244 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.753 -8.183 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.653 -8.030 8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.199 -10.016 6.792 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.647 -9.939 7.175 1.00 0.00 H new ATOM 1236 N ARG A 83 9.971 -4.532 6.625 1.00 0.00 N ATOM 1237 CA ARG A 83 8.686 -3.987 6.102 1.00 0.00 C ATOM 1238 C ARG A 83 7.627 -4.039 7.205 1.00 0.00 C ATOM 1239 O ARG A 83 7.895 -4.442 8.318 1.00 0.00 O ATOM 1240 CB ARG A 83 8.224 -4.824 4.906 1.00 0.00 C ATOM 1241 CG ARG A 83 9.246 -4.704 3.772 1.00 0.00 C ATOM 1242 CD ARG A 83 8.570 -5.011 2.433 1.00 0.00 C ATOM 1243 NE ARG A 83 7.485 -6.012 2.638 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.591 -6.201 1.707 1.00 0.00 C ATOM 1245 NH1 ARG A 83 5.517 -5.459 1.673 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.770 -7.130 0.808 1.00 0.00 N ATOM 0 H ARG A 83 10.398 -5.261 6.053 1.00 0.00 H new ATOM 0 HA ARG A 83 8.830 -2.954 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.113 -5.868 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.246 -4.483 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.668 -3.699 3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.072 -5.395 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.159 -4.097 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.303 -5.395 1.724 1.00 0.00 H new ATOM 0 HE ARG A 83 7.442 -6.548 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.377 -4.732 2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.818 -5.607 0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.609 -7.709 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.070 -7.277 0.080 1.00 0.00 H new ATOM 1260 N ASN A 84 6.422 -3.631 6.905 1.00 0.00 N ATOM 1261 CA ASN A 84 5.349 -3.656 7.939 1.00 0.00 C ATOM 1262 C ASN A 84 4.201 -4.548 7.461 1.00 0.00 C ATOM 1263 O ASN A 84 4.332 -5.280 6.500 1.00 0.00 O ATOM 1264 CB ASN A 84 4.830 -2.234 8.169 1.00 0.00 C ATOM 1265 CG ASN A 84 4.894 -1.448 6.859 1.00 0.00 C ATOM 1266 OD1 ASN A 84 3.933 -1.406 6.115 1.00 0.00 O ATOM 1267 ND2 ASN A 84 5.992 -0.819 6.542 1.00 0.00 N ATOM 0 H ASN A 84 6.136 -3.282 5.990 1.00 0.00 H new ATOM 0 HA ASN A 84 5.751 -4.051 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.804 -2.265 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.428 -1.737 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.044 -0.292 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.798 -0.854 7.166 1.00 0.00 H new ATOM 1274 N SER A 85 3.078 -4.498 8.125 1.00 0.00 N ATOM 1275 CA SER A 85 1.928 -5.349 7.704 1.00 0.00 C ATOM 1276 C SER A 85 0.681 -4.477 7.531 1.00 0.00 C ATOM 1277 O SER A 85 -0.432 -4.966 7.519 1.00 0.00 O ATOM 1278 CB SER A 85 1.662 -6.409 8.771 1.00 0.00 C ATOM 1279 OG SER A 85 1.303 -5.772 9.989 1.00 0.00 O ATOM 0 H SER A 85 2.907 -3.907 8.938 1.00 0.00 H new ATOM 0 HA SER A 85 2.165 -5.835 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.862 -7.075 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.550 -7.024 8.917 1.00 0.00 H new ATOM 0 HG SER A 85 1.130 -6.451 10.675 1.00 0.00 H new ATOM 1285 N ASP A 86 0.856 -3.192 7.392 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.320 -2.295 7.216 1.00 0.00 C ATOM 1287 C ASP A 86 -0.407 -1.853 5.755 1.00 0.00 C ATOM 1288 O ASP A 86 0.559 -1.397 5.176 1.00 0.00 O ATOM 1289 CB ASP A 86 -0.168 -1.064 8.112 1.00 0.00 C ATOM 1290 CG ASP A 86 0.161 -1.507 9.540 1.00 0.00 C ATOM 1291 OD1 ASP A 86 1.321 -1.789 9.799 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.750 -1.558 10.349 1.00 0.00 O ATOM 0 H ASP A 86 1.763 -2.724 7.393 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.228 -2.831 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.622 -0.418 7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.088 -0.480 8.104 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.557 -1.988 5.153 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.703 -1.579 3.726 1.00 0.00 C ATOM 1299 C ARG A 87 -3.118 -1.051 3.487 1.00 0.00 C ATOM 1300 O ARG A 87 -4.081 -1.581 3.999 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.464 -2.784 2.804 1.00 0.00 C ATOM 1302 CG ARG A 87 -0.528 -3.798 3.473 1.00 0.00 C ATOM 1303 CD ARG A 87 0.925 -3.375 3.256 1.00 0.00 C ATOM 1304 NE ARG A 87 1.787 -4.020 4.284 1.00 0.00 N ATOM 1305 CZ ARG A 87 3.080 -4.060 4.120 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.746 -2.957 3.914 1.00 0.00 N ATOM 1307 NH2 ARG A 87 3.707 -5.204 4.157 1.00 0.00 N ATOM 0 H ARG A 87 -2.401 -2.363 5.586 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.971 -0.802 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.415 -3.261 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.031 -2.448 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.744 -3.859 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.694 -4.792 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.254 -3.663 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.013 -2.290 3.320 1.00 0.00 H new ATOM 0 HE ARG A 87 1.366 -4.431 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.255 -2.063 3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.757 -2.988 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.186 -6.066 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.718 -5.236 4.029 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.254 -0.018 2.704 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.613 0.528 2.427 1.00 0.00 C ATOM 1323 C ILE A 88 -5.151 -0.113 1.144 1.00 0.00 C ATOM 1324 O ILE A 88 -4.483 -0.145 0.128 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.529 2.046 2.257 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.939 2.633 2.158 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.753 2.372 0.985 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.852 4.090 1.700 1.00 0.00 C ATOM 0 H ILE A 88 -2.486 0.471 2.245 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.283 0.302 3.257 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.018 2.478 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.537 2.054 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.438 2.573 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.693 3.453 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.747 1.958 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.264 1.938 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.855 4.510 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.269 4.664 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.369 4.136 0.724 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.344 -0.640 1.188 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.917 -1.296 -0.023 1.00 0.00 C ATOM 1342 C LEU A 89 -7.909 -0.357 -0.713 1.00 0.00 C ATOM 1343 O LEU A 89 -9.077 -0.336 -0.388 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.655 -2.572 0.391 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.660 -3.725 0.525 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -6.025 -4.013 -0.836 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.572 -3.345 1.529 1.00 0.00 C ATOM 0 H LEU A 89 -6.947 -0.645 2.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.105 -1.535 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.172 -2.413 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.415 -2.820 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.181 -4.616 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.316 -4.835 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.802 -4.286 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.504 -3.124 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.862 -4.167 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.050 -2.454 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.026 -3.143 2.499 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.469 0.401 -1.679 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.417 1.306 -2.388 1.00 0.00 C ATOM 1361 C TYR A 90 -8.989 0.564 -3.600 1.00 0.00 C ATOM 1362 O TYR A 90 -8.291 -0.169 -4.274 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.707 2.587 -2.837 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.526 2.264 -3.722 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.298 1.905 -3.152 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.655 2.343 -5.114 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.200 1.622 -3.974 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -5.556 2.064 -5.935 1.00 0.00 C ATOM 1369 CZ TYR A 90 -4.329 1.702 -5.365 1.00 0.00 C ATOM 1370 OH TYR A 90 -3.247 1.426 -6.175 1.00 0.00 O ATOM 0 H TYR A 90 -6.503 0.434 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.224 1.590 -1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.407 3.226 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.371 3.147 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.198 1.846 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.602 2.619 -5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.254 1.342 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.654 2.128 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.507 1.527 -7.114 1.00 0.00 H new ATOM 1380 N SER A 91 -10.256 0.723 -3.869 1.00 0.00 N ATOM 1381 CA SER A 91 -10.868 -0.002 -5.023 1.00 0.00 C ATOM 1382 C SER A 91 -11.119 0.955 -6.193 1.00 0.00 C ATOM 1383 O SER A 91 -10.996 2.158 -6.067 1.00 0.00 O ATOM 1384 CB SER A 91 -12.196 -0.621 -4.586 1.00 0.00 C ATOM 1385 OG SER A 91 -12.415 -1.823 -5.311 1.00 0.00 O ATOM 0 H SER A 91 -10.893 1.321 -3.343 1.00 0.00 H new ATOM 0 HA SER A 91 -10.179 -0.782 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.180 -0.826 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.013 0.079 -4.764 1.00 0.00 H new ATOM 0 HG SER A 91 -12.343 -2.589 -4.704 1.00 0.00 H new ATOM 1391 N SER A 92 -11.471 0.420 -7.336 1.00 0.00 N ATOM 1392 CA SER A 92 -11.732 1.283 -8.523 1.00 0.00 C ATOM 1393 C SER A 92 -12.947 2.167 -8.256 1.00 0.00 C ATOM 1394 O SER A 92 -13.116 3.210 -8.856 1.00 0.00 O ATOM 1395 CB SER A 92 -11.995 0.406 -9.747 1.00 0.00 C ATOM 1396 OG SER A 92 -12.406 -0.886 -9.319 1.00 0.00 O ATOM 0 H SER A 92 -11.588 -0.581 -7.496 1.00 0.00 H new ATOM 0 HA SER A 92 -10.862 1.912 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.765 0.857 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.094 0.331 -10.355 1.00 0.00 H new ATOM 0 HG SER A 92 -12.577 -1.451 -10.101 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.785 1.762 -7.350 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.981 2.574 -7.023 1.00 0.00 C ATOM 1404 C ASP A 93 -14.621 3.551 -5.905 1.00 0.00 C ATOM 1405 O ASP A 93 -15.476 4.085 -5.228 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.127 1.660 -6.576 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.874 1.168 -5.150 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.737 1.236 -4.713 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.822 0.731 -4.519 1.00 0.00 O ATOM 0 H ASP A 93 -13.691 0.897 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.305 3.128 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.073 2.200 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.212 0.810 -7.254 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.351 3.781 -5.716 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.897 4.720 -4.657 1.00 0.00 C ATOM 1416 C TRP A 94 -13.166 4.128 -3.275 1.00 0.00 C ATOM 1417 O TRP A 94 -13.307 4.841 -2.301 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.612 6.062 -4.810 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.705 6.998 -5.537 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -13.077 7.828 -6.536 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.275 7.196 -5.346 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.964 8.533 -6.967 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.829 8.175 -6.262 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.334 6.626 -4.471 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.491 8.575 -6.308 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.991 7.023 -4.516 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.569 7.995 -5.432 1.00 0.00 C ATOM 0 H TRP A 94 -12.601 3.352 -6.258 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.824 4.880 -4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.545 5.934 -5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.871 6.468 -3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.077 7.926 -6.933 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.980 9.230 -7.712 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.648 5.877 -3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.172 9.326 -7.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.277 6.577 -3.840 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.532 8.296 -5.461 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.209 2.829 -3.175 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.433 2.197 -1.846 1.00 0.00 C ATOM 1440 C LEU A 95 -12.089 2.145 -1.121 1.00 0.00 C ATOM 1441 O LEU A 95 -11.321 1.218 -1.291 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.970 0.774 -2.028 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.492 0.761 -1.864 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.989 -0.686 -1.844 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.876 1.447 -0.550 1.00 0.00 C ATOM 0 H LEU A 95 -13.099 2.179 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.159 2.772 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.700 0.398 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.512 0.108 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.949 1.295 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.073 -0.697 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.720 -1.176 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.529 -1.217 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.960 1.436 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.419 0.916 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.523 2.478 -0.561 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.785 3.138 -0.334 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.475 3.140 0.374 1.00 0.00 C ATOM 1459 C ILE A 96 -10.606 2.463 1.736 1.00 0.00 C ATOM 1460 O ILE A 96 -11.246 2.967 2.641 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.990 4.576 0.564 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.195 5.364 -0.731 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.502 4.558 0.913 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.710 6.802 -0.535 1.00 0.00 C ATOM 0 H ILE A 96 -12.383 3.944 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.753 2.588 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.555 5.049 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.647 4.892 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.249 5.359 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.148 5.580 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.351 3.995 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.944 4.086 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.856 7.364 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.277 7.271 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.651 6.797 -0.277 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.983 1.329 1.891 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.037 0.610 3.190 1.00 0.00 C ATOM 1478 C TYR A 97 -8.632 0.597 3.795 1.00 0.00 C ATOM 1479 O TYR A 97 -7.665 0.912 3.132 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.510 -0.828 2.963 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.018 -0.860 2.874 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.665 -0.310 1.763 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.768 -1.443 3.904 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.063 -0.341 1.680 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.166 -1.474 3.821 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.813 -0.922 2.708 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.190 -0.953 2.626 1.00 0.00 O ATOM 0 H TYR A 97 -9.434 0.867 1.166 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.732 1.109 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.073 -1.224 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.171 -1.466 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.087 0.139 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.268 -1.868 4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.562 0.084 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.745 -1.923 4.615 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.490 -0.332 1.930 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.503 0.244 5.042 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.149 0.225 5.665 1.00 0.00 C ATOM 1499 C LYS A 98 -6.993 -1.036 6.520 1.00 0.00 C ATOM 1500 O LYS A 98 -7.833 -1.349 7.341 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.982 1.462 6.550 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.186 1.590 7.486 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.702 1.958 8.891 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.640 3.004 9.500 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.159 3.366 10.864 1.00 0.00 N ATOM 0 H LYS A 98 -9.271 -0.031 5.655 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.390 0.227 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.063 1.384 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.893 2.355 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.870 2.353 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.740 0.652 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.674 1.069 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.686 2.349 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.674 3.891 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.655 2.611 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.795 4.076 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.149 2.517 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.197 3.757 10.801 1.00 0.00 H new ATOM 1519 N THR A 99 -5.923 -1.761 6.339 1.00 0.00 N ATOM 1520 CA THR A 99 -5.712 -2.998 7.146 1.00 0.00 C ATOM 1521 C THR A 99 -4.417 -2.861 7.951 1.00 0.00 C ATOM 1522 O THR A 99 -3.345 -2.713 7.399 1.00 0.00 O ATOM 1523 CB THR A 99 -5.610 -4.215 6.222 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.749 -5.181 6.809 1.00 0.00 O ATOM 1525 CG2 THR A 99 -5.051 -3.792 4.862 1.00 0.00 C ATOM 0 H THR A 99 -5.185 -1.551 5.667 1.00 0.00 H new ATOM 0 HA THR A 99 -6.556 -3.134 7.823 1.00 0.00 H new ATOM 0 HB THR A 99 -6.602 -4.644 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.137 -5.496 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.981 -4.663 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.713 -3.053 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.060 -3.358 4.995 1.00 0.00 H new ATOM 1533 N THR A 100 -4.508 -2.908 9.252 1.00 0.00 N ATOM 1534 CA THR A 100 -3.283 -2.778 10.089 1.00 0.00 C ATOM 1535 C THR A 100 -2.885 -4.153 10.630 1.00 0.00 C ATOM 1536 O THR A 100 -2.194 -4.263 11.623 1.00 0.00 O ATOM 1537 CB THR A 100 -3.562 -1.834 11.261 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.776 -2.214 11.894 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.683 -0.399 10.747 1.00 0.00 C ATOM 0 H THR A 100 -5.378 -3.031 9.771 1.00 0.00 H new ATOM 0 HA THR A 100 -2.472 -2.376 9.482 1.00 0.00 H new ATOM 0 HB THR A 100 -2.742 -1.893 11.977 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.955 -1.612 12.646 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.882 0.271 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.752 -0.107 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.502 -0.337 10.030 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.316 -5.202 9.986 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.962 -6.567 10.469 1.00 0.00 C ATOM 1549 C ASP A 101 -2.613 -7.457 9.274 1.00 0.00 C ATOM 1550 O ASP A 101 -2.688 -8.667 9.350 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.151 -7.169 11.222 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.459 -6.655 10.616 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.529 -6.556 9.402 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.369 -6.369 11.377 1.00 0.00 O ATOM 0 H ASP A 101 -3.897 -5.174 9.148 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.104 -6.502 11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.116 -8.257 11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.098 -6.902 12.277 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.231 -6.868 8.173 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.876 -7.681 6.975 1.00 0.00 C ATOM 1561 C HIS A 102 -3.155 -8.158 6.286 1.00 0.00 C ATOM 1562 O HIS A 102 -3.519 -9.315 6.362 1.00 0.00 O ATOM 1563 CB HIS A 102 -1.042 -8.891 7.402 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.039 -9.213 6.329 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.407 -9.787 5.121 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.322 -9.048 6.266 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.711 -9.945 4.390 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.794 -9.512 5.041 1.00 0.00 N ATOM 0 H HIS A 102 -2.149 -5.859 8.052 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.296 -7.071 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.531 -8.680 8.341 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.691 -9.749 7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.934 -8.623 7.048 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.731 -10.370 3.397 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.759 -9.520 4.712 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.839 -7.276 5.612 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.092 -7.673 4.913 1.00 0.00 C ATOM 1578 C TYR A 103 -5.924 -8.585 5.818 1.00 0.00 C ATOM 1579 O TYR A 103 -6.458 -9.587 5.383 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.740 -8.416 3.622 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.719 -7.617 2.849 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -4.138 -6.641 1.937 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.352 -7.849 3.046 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -3.192 -5.898 1.222 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.405 -7.106 2.330 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.825 -6.131 1.418 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.892 -5.397 0.714 1.00 0.00 O ATOM 0 H TYR A 103 -3.583 -6.294 5.515 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.671 -6.780 4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.345 -9.405 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.635 -8.564 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.192 -6.461 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.028 -8.601 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.516 -5.145 0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.351 -7.285 2.482 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.946 -5.626 -0.237 1.00 0.00 H new ATOM 1597 N GLN A 104 -6.044 -8.245 7.073 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.848 -9.092 7.999 1.00 0.00 C ATOM 1599 C GLN A 104 -8.034 -8.282 8.521 1.00 0.00 C ATOM 1600 O GLN A 104 -8.996 -8.820 9.032 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.977 -9.546 9.173 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.091 -10.714 8.731 1.00 0.00 C ATOM 1603 CD GLN A 104 -5.418 -11.952 9.569 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.859 -12.145 10.631 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -6.304 -12.805 9.134 1.00 0.00 N ATOM 0 H GLN A 104 -5.621 -7.419 7.496 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.212 -9.970 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.359 -8.719 9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.606 -9.849 10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.251 -10.925 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.040 -10.451 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.773 -12.643 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.528 -13.634 9.685 1.00 0.00 H new ATOM 1614 N THR A 105 -7.970 -6.990 8.386 1.00 0.00 N ATOM 1615 CA THR A 105 -9.088 -6.127 8.863 1.00 0.00 C ATOM 1616 C THR A 105 -9.158 -4.866 8.000 1.00 0.00 C ATOM 1617 O THR A 105 -8.466 -3.897 8.243 1.00 0.00 O ATOM 1618 CB THR A 105 -8.846 -5.736 10.322 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.883 -6.901 11.135 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.933 -4.761 10.778 1.00 0.00 C ATOM 0 H THR A 105 -7.188 -6.489 7.964 1.00 0.00 H new ATOM 0 HA THR A 105 -10.028 -6.673 8.787 1.00 0.00 H new ATOM 0 HB THR A 105 -7.870 -5.258 10.413 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.001 -7.049 11.535 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.760 -4.483 11.818 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.905 -3.868 10.154 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.910 -5.237 10.688 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.985 -4.870 6.990 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.091 -3.671 6.111 1.00 0.00 C ATOM 1630 C PHE A 106 -11.175 -2.734 6.644 1.00 0.00 C ATOM 1631 O PHE A 106 -12.341 -3.076 6.689 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.455 -4.107 4.691 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.624 -5.305 4.302 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.347 -5.126 3.757 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -10.132 -6.594 4.489 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.578 -6.239 3.397 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -9.364 -7.708 4.130 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.087 -7.530 3.583 1.00 0.00 C ATOM 0 H PHE A 106 -10.591 -5.650 6.736 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.134 -3.150 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.515 -4.354 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.281 -3.289 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.955 -4.130 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -11.117 -6.730 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.593 -6.102 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.756 -8.704 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.495 -8.389 3.305 1.00 0.00 H new ATOM 1648 N THR A 107 -10.801 -1.548 7.040 1.00 0.00 N ATOM 1649 CA THR A 107 -11.808 -0.583 7.559 1.00 0.00 C ATOM 1650 C THR A 107 -12.012 0.523 6.521 1.00 0.00 C ATOM 1651 O THR A 107 -11.073 0.984 5.905 1.00 0.00 O ATOM 1652 CB THR A 107 -11.303 0.029 8.868 1.00 0.00 C ATOM 1653 OG1 THR A 107 -11.147 -0.998 9.838 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.311 1.061 9.373 1.00 0.00 C ATOM 0 H THR A 107 -9.840 -1.206 7.026 1.00 0.00 H new ATOM 0 HA THR A 107 -12.752 -1.095 7.745 1.00 0.00 H new ATOM 0 HB THR A 107 -10.344 0.517 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.822 -0.609 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.950 1.496 10.305 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.431 1.847 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 107 -13.272 0.576 9.547 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.229 0.947 6.316 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.482 2.016 5.308 1.00 0.00 C ATOM 1664 C LYS A 108 -13.133 3.379 5.907 1.00 0.00 C ATOM 1665 O LYS A 108 -13.590 3.733 6.975 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.959 2.001 4.908 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.234 3.143 3.930 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.546 2.876 3.188 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.708 3.499 3.963 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.931 2.668 3.778 1.00 0.00 N ATOM 0 H LYS A 108 -14.057 0.601 6.801 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.863 1.837 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.213 1.046 4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.587 2.106 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.294 4.089 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.413 3.232 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.499 3.295 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.702 1.803 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.458 3.567 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.889 4.515 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.721 3.091 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.172 2.625 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.754 1.706 4.133 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.326 4.147 5.227 1.00 0.00 N ATOM 1685 CA ILE A 109 -11.951 5.486 5.763 1.00 0.00 C ATOM 1686 C ILE A 109 -12.547 6.580 4.873 1.00 0.00 C ATOM 1687 O ILE A 109 -13.055 7.573 5.352 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.427 5.621 5.789 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.823 4.841 4.619 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -9.887 5.059 7.106 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.309 5.053 4.592 1.00 0.00 C ATOM 0 H ILE A 109 -11.911 3.906 4.327 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.340 5.591 6.776 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.156 6.673 5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.051 3.780 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.264 5.174 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.801 5.155 7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.315 5.614 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.160 4.007 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.879 4.498 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.092 6.114 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.875 4.698 5.527 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.490 6.406 3.581 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.055 7.437 2.666 1.00 0.00 C ATOM 1705 C ARG A 110 -14.245 6.848 1.906 1.00 0.00 C ATOM 1706 O ARG A 110 -14.104 5.759 1.375 1.00 0.00 O ATOM 1707 CB ARG A 110 -11.983 7.878 1.667 1.00 0.00 C ATOM 1708 CG ARG A 110 -10.629 7.959 2.377 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.734 8.910 3.571 1.00 0.00 C ATOM 1710 NE ARG A 110 -9.595 9.869 3.544 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.631 10.945 4.280 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.741 11.620 4.396 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.555 11.345 4.904 1.00 0.00 N ATOM 1714 OXT ARG A 110 -15.278 7.497 1.867 1.00 0.00 O ATOM 0 H ARG A 110 -12.077 5.595 3.120 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.384 8.297 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.930 7.172 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.242 8.848 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -10.323 6.968 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -9.864 8.311 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -11.680 9.451 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.725 8.344 4.502 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.787 9.684 2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.582 11.306 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.768 12.461 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.688 10.816 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.582 12.186 5.480 1.00 0.00 H new