USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 38 SER OG : rot 91:sc= 1.36 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -177:sc= -0.172 (180deg=-0.27) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.474 USER MOD Set 2.2: A 16 THR OG1 : rot 88:sc= 0.521 USER MOD Single : A 7 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.00034) USER MOD Single : A 11 CYS SG : rot -120:sc= -0.246 USER MOD Single : A 12 HIS : no HE2:sc= 0.691 K(o=0.69,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 20 GLN : amide:sc= -4.74! C(o=-4.7!,f=-7.1!) USER MOD Single : A 22 GLN : amide:sc= 0.382 X(o=0.38,f=-0.0049) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.1) USER MOD Single : A 27 SER OG : rot 83:sc= 1.05 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 36 THR OG1 : rot -170:sc= -2.62! USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.05 (180deg=-0.344) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0107 (180deg=-0.159) USER MOD Single : A 59 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.33) USER MOD Single : A 67 THR OG1 : rot -161:sc= 1.42 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= -0.763! (180deg=-0.841!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.298 K(o=-0.3,f=-3.2!) USER MOD Single : A 82 MET CE :methyl -140:sc= -0.197 (180deg=-2.27) USER MOD Single : A 84 THR OG1 : rot 24:sc= 0.21 USER MOD Single : A 86 MET CE :methyl -117:sc= -1.44 (180deg=-1.93) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.11) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0414 (180deg=-0.227) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 107 SER OG : rot 67:sc= 0.827 USER MOD Single : A 108 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0677) USER MOD Single : A 112 HIS : no HD1:sc= -0.574! C(o=-0.57!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -3.820 -0.428 -12.084 1.00 0.00 N ATOM 70 CA GLY A 6 -2.947 -1.536 -11.750 1.00 0.00 C ATOM 71 C GLY A 6 -1.586 -1.074 -11.360 1.00 0.00 C ATOM 72 O GLY A 6 -0.658 -1.880 -11.212 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.384 -2.108 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.871 -2.208 -12.605 1.00 0.00 H new ATOM 76 N GLN A 7 -1.456 0.215 -11.163 1.00 0.00 N ATOM 77 CA GLN A 7 -0.192 0.766 -10.866 1.00 0.00 C ATOM 78 C GLN A 7 0.085 0.880 -9.425 1.00 0.00 C ATOM 79 O GLN A 7 -0.753 1.289 -8.624 1.00 0.00 O ATOM 80 CB GLN A 7 0.149 2.020 -11.688 1.00 0.00 C ATOM 81 CG GLN A 7 -0.866 3.186 -11.703 1.00 0.00 C ATOM 82 CD GLN A 7 -0.892 4.047 -10.440 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.150 5.023 -10.335 1.00 0.00 O ATOM 84 NE2 GLN A 7 -1.746 3.735 -9.515 1.00 0.00 N ATOM 0 H GLN A 7 -2.221 0.888 -11.207 1.00 0.00 H new ATOM 0 HA GLN A 7 0.527 0.023 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.098 2.410 -11.320 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.311 1.707 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.644 3.828 -12.556 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.863 2.776 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.348 2.920 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.816 4.305 -8.672 1.00 0.00 H new ATOM 93 N VAL A 8 1.228 0.443 -9.098 1.00 0.00 N ATOM 94 CA VAL A 8 1.692 0.492 -7.782 1.00 0.00 C ATOM 95 C VAL A 8 2.927 1.383 -7.754 1.00 0.00 C ATOM 96 O VAL A 8 3.800 1.278 -8.617 1.00 0.00 O ATOM 97 CB VAL A 8 1.978 -0.936 -7.260 1.00 0.00 C ATOM 98 CG1 VAL A 8 3.184 -1.609 -7.919 1.00 0.00 C ATOM 99 CG2 VAL A 8 2.011 -0.999 -5.756 1.00 0.00 C ATOM 0 H VAL A 8 1.886 0.029 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 8 0.940 0.915 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 8 1.126 -1.538 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.319 -2.606 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.015 -1.687 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.078 -1.014 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.215 -2.022 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.794 -0.340 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.048 -0.681 -5.357 1.00 0.00 H new ATOM 109 N ILE A 9 2.982 2.271 -6.825 1.00 0.00 N ATOM 110 CA ILE A 9 4.067 3.183 -6.760 1.00 0.00 C ATOM 111 C ILE A 9 5.141 2.651 -5.838 1.00 0.00 C ATOM 112 O ILE A 9 4.934 2.524 -4.636 1.00 0.00 O ATOM 113 CB ILE A 9 3.581 4.554 -6.268 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.527 5.114 -7.242 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.750 5.516 -6.110 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.922 6.429 -6.814 1.00 0.00 C ATOM 0 H ILE A 9 2.281 2.385 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 9 4.486 3.298 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 9 3.119 4.435 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.986 5.241 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.729 4.380 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.383 6.481 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.457 5.113 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.248 5.644 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.191 6.752 -7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.430 6.306 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.707 7.180 -6.728 1.00 0.00 H new ATOM 128 N ALA A 10 6.261 2.328 -6.396 1.00 0.00 N ATOM 129 CA ALA A 10 7.363 1.862 -5.621 1.00 0.00 C ATOM 130 C ALA A 10 8.267 3.031 -5.306 1.00 0.00 C ATOM 131 O ALA A 10 8.913 3.581 -6.203 1.00 0.00 O ATOM 132 CB ALA A 10 8.125 0.776 -6.372 1.00 0.00 C ATOM 0 H ALA A 10 6.438 2.379 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 10 6.998 1.426 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.962 0.433 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.458 -0.061 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.500 1.179 -7.313 1.00 0.00 H new ATOM 138 N CYS A 11 8.284 3.451 -4.067 1.00 0.00 N ATOM 139 CA CYS A 11 9.125 4.520 -3.669 1.00 0.00 C ATOM 140 C CYS A 11 10.442 3.960 -3.210 1.00 0.00 C ATOM 141 O CYS A 11 10.490 3.026 -2.421 1.00 0.00 O ATOM 142 CB CYS A 11 8.484 5.316 -2.558 1.00 0.00 C ATOM 143 SG CYS A 11 6.846 5.972 -2.962 1.00 0.00 S ATOM 0 H CYS A 11 7.714 3.056 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 11 9.283 5.188 -4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.401 4.683 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.140 6.146 -2.296 1.00 0.00 H new ATOM 0 HG CYS A 11 6.865 7.269 -2.877 1.00 0.00 H new ATOM 149 N HIS A 12 11.496 4.502 -3.727 1.00 0.00 N ATOM 150 CA HIS A 12 12.828 4.050 -3.384 1.00 0.00 C ATOM 151 C HIS A 12 13.520 5.093 -2.547 1.00 0.00 C ATOM 152 O HIS A 12 14.642 4.901 -2.108 1.00 0.00 O ATOM 153 CB HIS A 12 13.645 3.754 -4.656 1.00 0.00 C ATOM 154 CG HIS A 12 13.044 2.688 -5.529 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.570 1.432 -5.667 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.950 2.711 -6.318 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.828 0.737 -6.491 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.841 1.485 -6.899 1.00 0.00 N ATOM 0 H HIS A 12 11.471 5.269 -4.398 1.00 0.00 H new ATOM 0 HA HIS A 12 12.749 3.128 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.743 4.672 -5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.651 3.450 -4.368 1.00 0.00 H new ATOM 0 HD1 HIS A 12 14.410 1.091 -5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.283 3.548 -6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.004 -0.287 -6.785 1.00 0.00 H new ATOM 167 N THR A 13 12.824 6.194 -2.309 1.00 0.00 N ATOM 168 CA THR A 13 13.362 7.319 -1.561 1.00 0.00 C ATOM 169 C THR A 13 12.242 7.991 -0.784 1.00 0.00 C ATOM 170 O THR A 13 11.068 7.951 -1.222 1.00 0.00 O ATOM 171 CB THR A 13 14.040 8.367 -2.499 1.00 0.00 C ATOM 172 OG1 THR A 13 13.150 8.719 -3.570 1.00 0.00 O ATOM 173 CG2 THR A 13 15.363 7.863 -3.070 1.00 0.00 C ATOM 0 H THR A 13 11.866 6.333 -2.631 1.00 0.00 H new ATOM 0 HA THR A 13 14.121 6.936 -0.879 1.00 0.00 H new ATOM 0 HB THR A 13 14.258 9.248 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.583 9.378 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.795 8.627 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.052 7.645 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.188 6.956 -3.649 1.00 0.00 H new ATOM 181 N VAL A 14 12.575 8.594 0.352 1.00 0.00 N ATOM 182 CA VAL A 14 11.585 9.274 1.170 1.00 0.00 C ATOM 183 C VAL A 14 11.114 10.551 0.461 1.00 0.00 C ATOM 184 O VAL A 14 10.010 11.044 0.705 1.00 0.00 O ATOM 185 CB VAL A 14 12.102 9.586 2.617 1.00 0.00 C ATOM 186 CG1 VAL A 14 13.256 10.560 2.609 1.00 0.00 C ATOM 187 CG2 VAL A 14 10.977 10.078 3.522 1.00 0.00 C ATOM 0 H VAL A 14 13.524 8.624 0.725 1.00 0.00 H new ATOM 0 HA VAL A 14 10.739 8.598 1.293 1.00 0.00 H new ATOM 0 HB VAL A 14 12.473 8.646 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.582 10.747 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.083 10.140 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.938 11.497 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.374 10.284 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.548 10.990 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.204 9.312 3.591 1.00 0.00 H new ATOM 197 N GLU A 15 11.962 11.055 -0.445 1.00 0.00 N ATOM 198 CA GLU A 15 11.675 12.178 -1.262 1.00 0.00 C ATOM 199 C GLU A 15 10.382 11.925 -2.046 1.00 0.00 C ATOM 200 O GLU A 15 9.465 12.746 -2.047 1.00 0.00 O ATOM 201 CB GLU A 15 12.837 12.377 -2.236 1.00 0.00 C ATOM 202 CG GLU A 15 14.177 12.864 -1.642 1.00 0.00 C ATOM 203 CD GLU A 15 14.773 11.971 -0.571 1.00 0.00 C ATOM 204 OE1 GLU A 15 15.010 10.781 -0.836 1.00 0.00 O ATOM 205 OE2 GLU A 15 14.995 12.454 0.560 1.00 0.00 O ATOM 0 H GLU A 15 12.887 10.660 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 15 11.547 13.068 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.017 11.431 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.523 13.093 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.900 12.964 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.029 13.859 -1.222 1.00 0.00 H new ATOM 212 N THR A 16 10.319 10.767 -2.687 1.00 0.00 N ATOM 213 CA THR A 16 9.153 10.366 -3.442 1.00 0.00 C ATOM 214 C THR A 16 7.990 10.060 -2.483 1.00 0.00 C ATOM 215 O THR A 16 6.860 10.478 -2.710 1.00 0.00 O ATOM 216 CB THR A 16 9.480 9.111 -4.267 1.00 0.00 C ATOM 217 OG1 THR A 16 10.648 9.366 -5.058 1.00 0.00 O ATOM 218 CG2 THR A 16 8.327 8.736 -5.186 1.00 0.00 C ATOM 0 H THR A 16 11.076 10.084 -2.695 1.00 0.00 H new ATOM 0 HA THR A 16 8.864 11.177 -4.111 1.00 0.00 H new ATOM 0 HB THR A 16 9.653 8.282 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.449 9.145 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.591 7.845 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.437 8.536 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.126 9.559 -5.872 1.00 0.00 H new ATOM 226 N TRP A 17 8.312 9.365 -1.396 1.00 0.00 N ATOM 227 CA TRP A 17 7.345 8.959 -0.367 1.00 0.00 C ATOM 228 C TRP A 17 6.531 10.151 0.150 1.00 0.00 C ATOM 229 O TRP A 17 5.295 10.133 0.122 1.00 0.00 O ATOM 230 CB TRP A 17 8.120 8.295 0.785 1.00 0.00 C ATOM 231 CG TRP A 17 7.319 7.993 2.010 1.00 0.00 C ATOM 232 CD1 TRP A 17 7.296 8.728 3.160 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.436 6.896 2.222 1.00 0.00 C ATOM 234 NE1 TRP A 17 6.457 8.156 4.067 1.00 0.00 N ATOM 235 CE2 TRP A 17 5.914 7.030 3.525 1.00 0.00 C ATOM 236 CE3 TRP A 17 6.036 5.813 1.445 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.011 6.126 4.061 1.00 0.00 C ATOM 238 CZ3 TRP A 17 5.141 4.917 1.981 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.638 5.078 3.279 1.00 0.00 C ATOM 0 H TRP A 17 9.265 9.061 -1.197 1.00 0.00 H new ATOM 0 HA TRP A 17 6.633 8.257 -0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.555 7.365 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.948 8.946 1.065 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.862 9.633 3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.265 8.513 5.003 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.420 5.679 0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.619 6.249 5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.819 4.072 1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.938 4.353 3.667 1.00 0.00 H new ATOM 250 N ASN A 18 7.230 11.176 0.590 1.00 0.00 N ATOM 251 CA ASN A 18 6.606 12.369 1.149 1.00 0.00 C ATOM 252 C ASN A 18 5.731 13.058 0.110 1.00 0.00 C ATOM 253 O ASN A 18 4.611 13.490 0.407 1.00 0.00 O ATOM 254 CB ASN A 18 7.686 13.331 1.639 1.00 0.00 C ATOM 255 CG ASN A 18 7.124 14.593 2.278 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.043 14.588 2.869 1.00 0.00 O ATOM 257 ND2 ASN A 18 7.843 15.671 2.162 1.00 0.00 N ATOM 0 H ASN A 18 8.249 11.211 0.573 1.00 0.00 H new ATOM 0 HA ASN A 18 5.975 12.072 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.319 12.817 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.322 13.610 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.516 16.548 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.734 15.639 1.666 1.00 0.00 H new ATOM 264 N GLU A 19 6.237 13.120 -1.104 1.00 0.00 N ATOM 265 CA GLU A 19 5.549 13.769 -2.204 1.00 0.00 C ATOM 266 C GLU A 19 4.244 13.042 -2.565 1.00 0.00 C ATOM 267 O GLU A 19 3.216 13.682 -2.805 1.00 0.00 O ATOM 268 CB GLU A 19 6.479 13.878 -3.408 1.00 0.00 C ATOM 269 CG GLU A 19 5.878 14.584 -4.607 1.00 0.00 C ATOM 270 CD GLU A 19 6.872 14.739 -5.715 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.643 15.722 -5.699 1.00 0.00 O ATOM 272 OE2 GLU A 19 6.924 13.873 -6.613 1.00 0.00 O ATOM 0 H GLU A 19 7.140 12.721 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 19 5.271 14.775 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.382 14.408 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.783 12.875 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.017 14.021 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.513 15.566 -4.306 1.00 0.00 H new ATOM 279 N GLN A 20 4.278 11.714 -2.573 1.00 0.00 N ATOM 280 CA GLN A 20 3.128 10.926 -2.876 1.00 0.00 C ATOM 281 C GLN A 20 2.034 11.129 -1.839 1.00 0.00 C ATOM 282 O GLN A 20 0.852 11.236 -2.177 1.00 0.00 O ATOM 283 CB GLN A 20 3.520 9.483 -2.967 1.00 0.00 C ATOM 284 CG GLN A 20 4.507 9.146 -4.090 1.00 0.00 C ATOM 285 CD GLN A 20 3.987 9.418 -5.504 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.167 10.301 -5.738 1.00 0.00 O ATOM 287 NE2 GLN A 20 4.492 8.682 -6.456 1.00 0.00 N ATOM 0 H GLN A 20 5.115 11.169 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 20 2.726 11.246 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.959 9.181 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.619 8.886 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.420 9.721 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.777 8.093 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.172 7.955 -6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.207 8.834 -7.424 1.00 0.00 H new ATOM 296 N LEU A 21 2.430 11.206 -0.581 1.00 0.00 N ATOM 297 CA LEU A 21 1.535 11.448 0.485 1.00 0.00 C ATOM 298 C LEU A 21 0.966 12.849 0.399 1.00 0.00 C ATOM 299 O LEU A 21 -0.222 13.060 0.626 1.00 0.00 O ATOM 300 CB LEU A 21 2.260 11.261 1.775 1.00 0.00 C ATOM 301 CG LEU A 21 2.737 9.847 2.122 1.00 0.00 C ATOM 302 CD1 LEU A 21 3.448 9.851 3.463 1.00 0.00 C ATOM 303 CD2 LEU A 21 1.570 8.862 2.138 1.00 0.00 C ATOM 0 H LEU A 21 3.401 11.097 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 21 0.704 10.746 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.130 11.917 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.608 11.603 2.579 1.00 0.00 H new ATOM 0 HG LEU A 21 3.437 9.523 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.783 8.841 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.309 10.517 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.763 10.197 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.938 7.867 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.839 9.176 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.099 8.840 1.155 1.00 0.00 H new ATOM 315 N GLN A 22 1.822 13.801 0.074 1.00 0.00 N ATOM 316 CA GLN A 22 1.411 15.177 -0.141 1.00 0.00 C ATOM 317 C GLN A 22 0.338 15.234 -1.233 1.00 0.00 C ATOM 318 O GLN A 22 -0.679 15.917 -1.081 1.00 0.00 O ATOM 319 CB GLN A 22 2.629 16.042 -0.516 1.00 0.00 C ATOM 320 CG GLN A 22 2.325 17.511 -0.812 1.00 0.00 C ATOM 321 CD GLN A 22 1.666 18.239 0.347 1.00 0.00 C ATOM 322 OE1 GLN A 22 2.340 18.798 1.215 1.00 0.00 O ATOM 323 NE2 GLN A 22 0.351 18.260 0.362 1.00 0.00 N ATOM 0 H GLN A 22 2.822 13.642 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 22 0.985 15.575 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.351 15.995 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.108 15.604 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.253 18.021 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.675 17.571 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.175 17.787 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.143 18.750 1.108 1.00 0.00 H new ATOM 332 N LYS A 23 0.566 14.496 -2.308 1.00 0.00 N ATOM 333 CA LYS A 23 -0.379 14.399 -3.408 1.00 0.00 C ATOM 334 C LYS A 23 -1.693 13.759 -2.955 1.00 0.00 C ATOM 335 O LYS A 23 -2.776 14.259 -3.287 1.00 0.00 O ATOM 336 CB LYS A 23 0.224 13.602 -4.571 1.00 0.00 C ATOM 337 CG LYS A 23 -0.725 13.403 -5.745 1.00 0.00 C ATOM 338 CD LYS A 23 -0.072 12.627 -6.865 1.00 0.00 C ATOM 339 CE LYS A 23 -1.045 12.393 -8.008 1.00 0.00 C ATOM 340 NZ LYS A 23 -0.409 11.687 -9.141 1.00 0.00 N ATOM 0 H LYS A 23 1.414 13.946 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.594 15.411 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.119 14.115 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.540 12.626 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.616 12.874 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.052 14.374 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.798 13.172 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.287 11.670 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.893 11.811 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.438 13.350 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.107 11.547 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.385 12.254 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.057 10.762 -8.820 1.00 0.00 H new ATOM 354 N ALA A 24 -1.601 12.664 -2.192 1.00 0.00 N ATOM 355 CA ALA A 24 -2.786 11.966 -1.710 1.00 0.00 C ATOM 356 C ALA A 24 -3.593 12.863 -0.781 1.00 0.00 C ATOM 357 O ALA A 24 -4.810 12.925 -0.870 1.00 0.00 O ATOM 358 CB ALA A 24 -2.398 10.672 -1.003 1.00 0.00 C ATOM 0 H ALA A 24 -0.718 12.247 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.407 11.712 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.297 10.166 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.865 10.023 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.754 10.900 -0.154 1.00 0.00 H new ATOM 364 N ASN A 25 -2.887 13.567 0.079 1.00 0.00 N ATOM 365 CA ASN A 25 -3.475 14.507 1.041 1.00 0.00 C ATOM 366 C ASN A 25 -4.222 15.600 0.308 1.00 0.00 C ATOM 367 O ASN A 25 -5.396 15.866 0.559 1.00 0.00 O ATOM 368 CB ASN A 25 -2.352 15.169 1.822 1.00 0.00 C ATOM 369 CG ASN A 25 -2.842 16.074 2.935 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.894 15.842 3.526 1.00 0.00 O ATOM 371 ND2 ASN A 25 -2.085 17.103 3.226 1.00 0.00 N ATOM 0 H ASN A 25 -1.870 13.509 0.139 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.154 13.963 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.712 14.397 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.737 15.751 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.362 17.747 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.219 17.260 2.711 1.00 0.00 H new ATOM 378 N GLU A 26 -3.507 16.208 -0.603 1.00 0.00 N ATOM 379 CA GLU A 26 -3.991 17.322 -1.420 1.00 0.00 C ATOM 380 C GLU A 26 -5.222 16.927 -2.251 1.00 0.00 C ATOM 381 O GLU A 26 -6.194 17.686 -2.348 1.00 0.00 O ATOM 382 CB GLU A 26 -2.859 17.776 -2.353 1.00 0.00 C ATOM 383 CG GLU A 26 -3.205 18.918 -3.286 1.00 0.00 C ATOM 384 CD GLU A 26 -2.064 19.256 -4.211 1.00 0.00 C ATOM 385 OE1 GLU A 26 -1.952 18.626 -5.279 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.257 20.158 -3.886 1.00 0.00 O ATOM 0 H GLU A 26 -2.544 15.945 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.291 18.134 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.006 18.073 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.541 16.923 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.083 18.652 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.469 19.798 -2.700 1.00 0.00 H new ATOM 393 N SER A 27 -5.188 15.751 -2.820 1.00 0.00 N ATOM 394 CA SER A 27 -6.242 15.296 -3.691 1.00 0.00 C ATOM 395 C SER A 27 -7.373 14.617 -2.911 1.00 0.00 C ATOM 396 O SER A 27 -8.431 14.311 -3.481 1.00 0.00 O ATOM 397 CB SER A 27 -5.648 14.327 -4.686 1.00 0.00 C ATOM 398 OG SER A 27 -4.512 14.904 -5.330 1.00 0.00 O ATOM 0 H SER A 27 -4.430 15.081 -2.693 1.00 0.00 H new ATOM 0 HA SER A 27 -6.675 16.157 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.357 13.408 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.397 14.056 -5.430 1.00 0.00 H new ATOM 0 HG SER A 27 -3.722 14.794 -4.760 1.00 0.00 H new ATOM 404 N LYS A 28 -7.142 14.400 -1.601 1.00 0.00 N ATOM 405 CA LYS A 28 -8.082 13.693 -0.720 1.00 0.00 C ATOM 406 C LYS A 28 -8.253 12.262 -1.201 1.00 0.00 C ATOM 407 O LYS A 28 -9.313 11.640 -1.051 1.00 0.00 O ATOM 408 CB LYS A 28 -9.415 14.407 -0.649 1.00 0.00 C ATOM 409 CG LYS A 28 -9.333 15.824 -0.102 1.00 0.00 C ATOM 410 CD LYS A 28 -10.704 16.472 -0.006 1.00 0.00 C ATOM 411 CE LYS A 28 -11.393 16.571 -1.360 1.00 0.00 C ATOM 412 NZ LYS A 28 -12.708 17.239 -1.251 1.00 0.00 N ATOM 0 H LYS A 28 -6.295 14.712 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.671 13.680 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.851 14.439 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.093 13.826 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.869 15.807 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.691 16.425 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.329 15.895 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.603 17.470 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.759 17.124 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.524 15.572 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.150 17.290 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.321 16.697 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.579 18.201 -0.876 1.00 0.00 H new ATOM 426 N THR A 29 -7.192 11.745 -1.735 1.00 0.00 N ATOM 427 CA THR A 29 -7.160 10.430 -2.271 1.00 0.00 C ATOM 428 C THR A 29 -6.722 9.454 -1.200 1.00 0.00 C ATOM 429 O THR A 29 -5.899 9.771 -0.329 1.00 0.00 O ATOM 430 CB THR A 29 -6.183 10.341 -3.440 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.455 11.390 -4.375 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.321 9.015 -4.156 1.00 0.00 C ATOM 0 H THR A 29 -6.304 12.242 -1.810 1.00 0.00 H new ATOM 0 HA THR A 29 -8.162 10.184 -2.623 1.00 0.00 H new ATOM 0 HB THR A 29 -5.172 10.434 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.826 11.332 -5.124 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.615 8.974 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.111 8.202 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.336 8.912 -4.539 1.00 0.00 H new ATOM 440 N LEU A 30 -7.277 8.310 -1.252 1.00 0.00 N ATOM 441 CA LEU A 30 -6.975 7.265 -0.328 1.00 0.00 C ATOM 442 C LEU A 30 -5.691 6.560 -0.815 1.00 0.00 C ATOM 443 O LEU A 30 -5.506 6.362 -2.022 1.00 0.00 O ATOM 444 CB LEU A 30 -8.208 6.313 -0.225 1.00 0.00 C ATOM 445 CG LEU A 30 -8.165 5.094 0.731 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.558 4.541 0.893 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.280 3.981 0.189 1.00 0.00 C ATOM 0 H LEU A 30 -7.974 8.055 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.785 7.640 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.065 6.922 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.409 5.933 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.758 5.437 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.533 3.683 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.208 5.310 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.941 4.230 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.277 3.145 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.665 3.646 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.263 4.353 0.064 1.00 0.00 H new ATOM 459 N VAL A 31 -4.811 6.224 0.101 1.00 0.00 N ATOM 460 CA VAL A 31 -3.549 5.621 -0.249 1.00 0.00 C ATOM 461 C VAL A 31 -3.320 4.305 0.529 1.00 0.00 C ATOM 462 O VAL A 31 -3.573 4.233 1.732 1.00 0.00 O ATOM 463 CB VAL A 31 -2.378 6.637 -0.036 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.291 7.114 1.404 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.054 6.072 -0.495 1.00 0.00 C ATOM 0 H VAL A 31 -4.950 6.361 1.102 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.574 5.362 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.604 7.504 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.464 7.817 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.223 7.607 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.123 6.260 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.267 6.808 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.829 5.168 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.109 5.832 -1.557 1.00 0.00 H new ATOM 475 N VAL A 32 -2.879 3.279 -0.167 1.00 0.00 N ATOM 476 CA VAL A 32 -2.605 1.990 0.447 1.00 0.00 C ATOM 477 C VAL A 32 -1.145 1.638 0.237 1.00 0.00 C ATOM 478 O VAL A 32 -0.684 1.535 -0.895 1.00 0.00 O ATOM 479 CB VAL A 32 -3.479 0.869 -0.144 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.205 -0.466 0.545 1.00 0.00 C ATOM 481 CG2 VAL A 32 -4.957 1.217 -0.070 1.00 0.00 C ATOM 0 H VAL A 32 -2.700 3.311 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.837 2.073 1.509 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.211 0.770 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.837 -1.238 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.157 -0.736 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.425 -0.378 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.544 0.403 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.244 1.365 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.144 2.132 -0.632 1.00 0.00 H new ATOM 491 N VAL A 33 -0.427 1.467 1.307 1.00 0.00 N ATOM 492 CA VAL A 33 0.987 1.188 1.224 1.00 0.00 C ATOM 493 C VAL A 33 1.290 -0.226 1.706 1.00 0.00 C ATOM 494 O VAL A 33 0.848 -0.623 2.770 1.00 0.00 O ATOM 495 CB VAL A 33 1.806 2.186 2.074 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.290 1.926 1.919 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.464 3.628 1.710 1.00 0.00 C ATOM 0 H VAL A 33 -0.795 1.515 2.257 1.00 0.00 H new ATOM 0 HA VAL A 33 1.271 1.289 0.177 1.00 0.00 H new ATOM 0 HB VAL A 33 1.541 2.036 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.849 2.639 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.518 0.912 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.572 2.040 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.055 4.308 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.689 3.801 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.404 3.807 1.889 1.00 0.00 H new ATOM 507 N ASP A 34 2.026 -0.959 0.918 1.00 0.00 N ATOM 508 CA ASP A 34 2.463 -2.306 1.259 1.00 0.00 C ATOM 509 C ASP A 34 3.957 -2.318 1.544 1.00 0.00 C ATOM 510 O ASP A 34 4.768 -2.072 0.639 1.00 0.00 O ATOM 511 CB ASP A 34 2.125 -3.271 0.103 1.00 0.00 C ATOM 512 CG ASP A 34 2.760 -4.653 0.238 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.489 -5.357 1.219 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.515 -5.062 -0.684 1.00 0.00 O ATOM 0 H ASP A 34 2.350 -0.643 0.004 1.00 0.00 H new ATOM 0 HA ASP A 34 1.940 -2.635 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.043 -3.385 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.450 -2.824 -0.836 1.00 0.00 H new ATOM 519 N PHE A 35 4.338 -2.550 2.798 1.00 0.00 N ATOM 520 CA PHE A 35 5.719 -2.646 3.134 1.00 0.00 C ATOM 521 C PHE A 35 6.067 -4.102 3.100 1.00 0.00 C ATOM 522 O PHE A 35 5.518 -4.901 3.872 1.00 0.00 O ATOM 523 CB PHE A 35 5.992 -2.080 4.520 1.00 0.00 C ATOM 524 CG PHE A 35 5.733 -0.608 4.702 1.00 0.00 C ATOM 525 CD1 PHE A 35 4.481 -0.145 5.080 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.754 0.312 4.524 1.00 0.00 C ATOM 527 CE1 PHE A 35 4.255 1.204 5.273 1.00 0.00 C ATOM 528 CE2 PHE A 35 6.534 1.660 4.711 1.00 0.00 C ATOM 529 CZ PHE A 35 5.282 2.107 5.088 1.00 0.00 C ATOM 0 H PHE A 35 3.697 -2.672 3.582 1.00 0.00 H new ATOM 0 HA PHE A 35 6.321 -2.071 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.382 -2.626 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.034 -2.278 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.674 -0.847 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.736 -0.032 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.276 1.551 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.339 2.365 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.107 3.162 5.238 1.00 0.00 H new ATOM 539 N THR A 36 6.958 -4.459 2.244 1.00 0.00 N ATOM 540 CA THR A 36 7.220 -5.830 2.011 1.00 0.00 C ATOM 541 C THR A 36 8.669 -6.013 1.555 1.00 0.00 C ATOM 542 O THR A 36 9.407 -5.040 1.386 1.00 0.00 O ATOM 543 CB THR A 36 6.248 -6.309 0.898 1.00 0.00 C ATOM 544 OG1 THR A 36 6.310 -7.721 0.709 1.00 0.00 O ATOM 545 CG2 THR A 36 6.566 -5.617 -0.417 1.00 0.00 C ATOM 0 H THR A 36 7.521 -3.813 1.691 1.00 0.00 H new ATOM 0 HA THR A 36 7.074 -6.410 2.922 1.00 0.00 H new ATOM 0 HB THR A 36 5.240 -6.049 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.809 -7.965 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.876 -5.963 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.462 -4.539 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.588 -5.852 -0.714 1.00 0.00 H new ATOM 553 N ALA A 37 9.057 -7.235 1.363 1.00 0.00 N ATOM 554 CA ALA A 37 10.353 -7.554 0.852 1.00 0.00 C ATOM 555 C ALA A 37 10.179 -8.543 -0.261 1.00 0.00 C ATOM 556 O ALA A 37 9.418 -9.507 -0.132 1.00 0.00 O ATOM 557 CB ALA A 37 11.233 -8.129 1.937 1.00 0.00 C ATOM 0 H ALA A 37 8.475 -8.049 1.559 1.00 0.00 H new ATOM 0 HA ALA A 37 10.840 -6.651 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.214 -8.364 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.343 -7.401 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.778 -9.038 2.331 1.00 0.00 H new ATOM 563 N SER A 38 10.848 -8.323 -1.341 1.00 0.00 N ATOM 564 CA SER A 38 10.733 -9.186 -2.496 1.00 0.00 C ATOM 565 C SER A 38 11.331 -10.583 -2.224 1.00 0.00 C ATOM 566 O SER A 38 11.045 -11.546 -2.949 1.00 0.00 O ATOM 567 CB SER A 38 11.355 -8.506 -3.709 1.00 0.00 C ATOM 568 OG SER A 38 10.734 -7.231 -3.919 1.00 0.00 O ATOM 0 H SER A 38 11.494 -7.543 -1.461 1.00 0.00 H new ATOM 0 HA SER A 38 9.678 -9.353 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.427 -8.379 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.231 -9.132 -4.593 1.00 0.00 H new ATOM 0 HG SER A 38 11.235 -6.540 -3.437 1.00 0.00 H new ATOM 574 N TRP A 39 12.140 -10.682 -1.176 1.00 0.00 N ATOM 575 CA TRP A 39 12.758 -11.939 -0.792 1.00 0.00 C ATOM 576 C TRP A 39 11.891 -12.804 0.147 1.00 0.00 C ATOM 577 O TRP A 39 12.309 -13.885 0.537 1.00 0.00 O ATOM 578 CB TRP A 39 14.180 -11.728 -0.215 1.00 0.00 C ATOM 579 CG TRP A 39 14.295 -10.730 0.906 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.752 -9.465 0.793 1.00 0.00 C ATOM 581 CD2 TRP A 39 13.961 -10.912 2.300 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.742 -8.838 2.011 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.256 -9.701 2.954 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.447 -11.972 3.056 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.054 -9.520 4.317 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.243 -11.789 4.409 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.549 -10.572 5.026 1.00 0.00 C ATOM 0 H TRP A 39 12.383 -9.896 -0.573 1.00 0.00 H new ATOM 0 HA TRP A 39 12.847 -12.509 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.553 -12.689 0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 39 14.836 -11.412 -1.026 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.080 -9.010 -0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.048 -7.881 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.214 -12.917 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.288 -8.582 4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.841 -12.598 5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.382 -10.462 6.087 1.00 0.00 H new ATOM 598 N CYS A 40 10.706 -12.345 0.518 1.00 0.00 N ATOM 599 CA CYS A 40 9.843 -13.175 1.357 1.00 0.00 C ATOM 600 C CYS A 40 8.693 -13.803 0.564 1.00 0.00 C ATOM 601 O CYS A 40 7.937 -13.104 -0.126 1.00 0.00 O ATOM 602 CB CYS A 40 9.391 -12.472 2.671 1.00 0.00 C ATOM 603 SG CYS A 40 8.651 -10.810 2.492 1.00 0.00 S ATOM 0 H CYS A 40 10.325 -11.434 0.264 1.00 0.00 H new ATOM 0 HA CYS A 40 10.459 -14.008 1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.668 -13.116 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.255 -12.392 3.330 1.00 0.00 H new ATOM 608 N GLY A 41 8.596 -15.135 0.664 1.00 0.00 N ATOM 609 CA GLY A 41 7.628 -15.943 -0.092 1.00 0.00 C ATOM 610 C GLY A 41 6.175 -15.485 0.008 1.00 0.00 C ATOM 611 O GLY A 41 5.591 -15.105 -1.004 1.00 0.00 O ATOM 0 H GLY A 41 9.193 -15.689 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.920 -15.942 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.691 -16.974 0.255 1.00 0.00 H new ATOM 615 N PRO A 42 5.556 -15.488 1.222 1.00 0.00 N ATOM 616 CA PRO A 42 4.145 -15.093 1.399 1.00 0.00 C ATOM 617 C PRO A 42 3.874 -13.683 0.890 1.00 0.00 C ATOM 618 O PRO A 42 2.780 -13.371 0.425 1.00 0.00 O ATOM 619 CB PRO A 42 3.931 -15.162 2.919 1.00 0.00 C ATOM 620 CG PRO A 42 5.303 -15.172 3.503 1.00 0.00 C ATOM 621 CD PRO A 42 6.165 -15.877 2.506 1.00 0.00 C ATOM 0 HA PRO A 42 3.472 -15.739 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.357 -14.307 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.377 -16.058 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.660 -14.157 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.315 -15.687 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.206 -15.560 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.151 -16.957 2.650 1.00 0.00 H new ATOM 629 N CYS A 43 4.883 -12.852 0.970 1.00 0.00 N ATOM 630 CA CYS A 43 4.798 -11.473 0.554 1.00 0.00 C ATOM 631 C CYS A 43 4.692 -11.420 -0.967 1.00 0.00 C ATOM 632 O CYS A 43 3.900 -10.687 -1.531 1.00 0.00 O ATOM 633 CB CYS A 43 6.071 -10.762 0.956 1.00 0.00 C ATOM 634 SG CYS A 43 6.648 -11.102 2.645 1.00 0.00 S ATOM 0 H CYS A 43 5.799 -13.117 1.331 1.00 0.00 H new ATOM 0 HA CYS A 43 3.930 -11.002 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.860 -11.040 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.917 -9.688 0.851 1.00 0.00 H new ATOM 639 N ARG A 44 5.483 -12.234 -1.611 1.00 0.00 N ATOM 640 CA ARG A 44 5.539 -12.262 -3.045 1.00 0.00 C ATOM 641 C ARG A 44 4.278 -12.943 -3.581 1.00 0.00 C ATOM 642 O ARG A 44 3.800 -12.641 -4.673 1.00 0.00 O ATOM 643 CB ARG A 44 6.796 -13.011 -3.475 1.00 0.00 C ATOM 644 CG ARG A 44 7.176 -12.849 -4.929 1.00 0.00 C ATOM 645 CD ARG A 44 7.446 -11.387 -5.249 1.00 0.00 C ATOM 646 NE ARG A 44 8.035 -11.210 -6.569 1.00 0.00 N ATOM 647 CZ ARG A 44 8.386 -10.030 -7.095 1.00 0.00 C ATOM 648 NH1 ARG A 44 8.073 -8.889 -6.474 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.031 -9.990 -8.248 1.00 0.00 N ATOM 0 H ARG A 44 6.108 -12.898 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 44 5.582 -11.251 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.629 -12.674 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.656 -14.072 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.062 -13.445 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.374 -13.224 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.513 -10.827 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.115 -10.970 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 44 8.191 -12.045 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.562 -8.912 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.345 -7.995 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.260 -10.857 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.300 -9.092 -8.651 1.00 0.00 H new ATOM 663 N PHE A 45 3.754 -13.854 -2.779 1.00 0.00 N ATOM 664 CA PHE A 45 2.537 -14.587 -3.079 1.00 0.00 C ATOM 665 C PHE A 45 1.301 -13.678 -2.992 1.00 0.00 C ATOM 666 O PHE A 45 0.344 -13.860 -3.736 1.00 0.00 O ATOM 667 CB PHE A 45 2.404 -15.774 -2.103 1.00 0.00 C ATOM 668 CG PHE A 45 1.169 -16.629 -2.288 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.139 -17.625 -3.250 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.044 -16.444 -1.484 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.019 -18.418 -3.414 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.077 -17.232 -1.648 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.089 -18.222 -2.613 1.00 0.00 C ATOM 0 H PHE A 45 4.171 -14.109 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 45 2.597 -14.960 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.284 -16.409 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.409 -15.387 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.002 -17.784 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.050 -15.676 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.010 -19.191 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.944 -17.076 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.964 -18.842 -2.740 1.00 0.00 H new ATOM 683 N ILE A 46 1.340 -12.688 -2.109 1.00 0.00 N ATOM 684 CA ILE A 46 0.181 -11.819 -1.911 1.00 0.00 C ATOM 685 C ILE A 46 0.220 -10.639 -2.918 1.00 0.00 C ATOM 686 O ILE A 46 -0.806 -9.997 -3.199 1.00 0.00 O ATOM 687 CB ILE A 46 0.112 -11.283 -0.427 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.232 -10.633 -0.121 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.231 -10.311 -0.121 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.373 -11.609 -0.126 1.00 0.00 C ATOM 0 H ILE A 46 2.147 -12.467 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.719 -12.407 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 46 0.230 -12.156 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.181 -10.148 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.427 -9.852 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.144 -9.969 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.192 -10.807 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.165 -9.456 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.302 -11.084 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.448 -12.076 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.199 -12.377 0.628 1.00 0.00 H new ATOM 702 N ALA A 47 1.408 -10.399 -3.475 1.00 0.00 N ATOM 703 CA ALA A 47 1.641 -9.318 -4.442 1.00 0.00 C ATOM 704 C ALA A 47 0.663 -9.334 -5.657 1.00 0.00 C ATOM 705 O ALA A 47 0.094 -8.296 -5.976 1.00 0.00 O ATOM 706 CB ALA A 47 3.100 -9.284 -4.898 1.00 0.00 C ATOM 0 H ALA A 47 2.241 -10.950 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 47 1.426 -8.393 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.239 -8.473 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.747 -9.122 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.356 -10.232 -5.371 1.00 0.00 H new ATOM 712 N PRO A 48 0.433 -10.505 -6.356 1.00 0.00 N ATOM 713 CA PRO A 48 -0.503 -10.567 -7.501 1.00 0.00 C ATOM 714 C PRO A 48 -1.922 -10.133 -7.119 1.00 0.00 C ATOM 715 O PRO A 48 -2.639 -9.526 -7.925 1.00 0.00 O ATOM 716 CB PRO A 48 -0.498 -12.052 -7.886 1.00 0.00 C ATOM 717 CG PRO A 48 0.812 -12.551 -7.402 1.00 0.00 C ATOM 718 CD PRO A 48 1.066 -11.822 -6.124 1.00 0.00 C ATOM 0 HA PRO A 48 -0.200 -9.897 -8.306 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.325 -12.587 -7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.601 -12.184 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.787 -13.629 -7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.600 -12.355 -8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.623 -12.337 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.132 -11.726 -5.920 1.00 0.00 H new ATOM 726 N PHE A 49 -2.301 -10.412 -5.881 1.00 0.00 N ATOM 727 CA PHE A 49 -3.621 -10.069 -5.384 1.00 0.00 C ATOM 728 C PHE A 49 -3.696 -8.560 -5.147 1.00 0.00 C ATOM 729 O PHE A 49 -4.677 -7.911 -5.494 1.00 0.00 O ATOM 730 CB PHE A 49 -3.923 -10.856 -4.092 1.00 0.00 C ATOM 731 CG PHE A 49 -5.307 -10.640 -3.532 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.395 -11.313 -4.064 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.518 -9.770 -2.473 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.665 -11.122 -3.554 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.787 -9.576 -1.958 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.859 -10.254 -2.500 1.00 0.00 C ATOM 0 H PHE A 49 -1.705 -10.880 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.375 -10.342 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.788 -11.919 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.191 -10.578 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.249 -11.996 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.681 -9.237 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.504 -11.652 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.938 -8.895 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.851 -10.105 -2.099 1.00 0.00 H new ATOM 746 N PHE A 50 -2.636 -8.008 -4.587 1.00 0.00 N ATOM 747 CA PHE A 50 -2.540 -6.571 -4.345 1.00 0.00 C ATOM 748 C PHE A 50 -2.483 -5.830 -5.689 1.00 0.00 C ATOM 749 O PHE A 50 -3.014 -4.733 -5.831 1.00 0.00 O ATOM 750 CB PHE A 50 -1.300 -6.282 -3.478 1.00 0.00 C ATOM 751 CG PHE A 50 -1.113 -4.846 -3.067 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.897 -4.296 -2.070 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.148 -4.054 -3.666 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.724 -2.986 -1.679 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.030 -2.741 -3.275 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.759 -2.207 -2.281 1.00 0.00 C ATOM 0 H PHE A 50 -1.817 -8.536 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.418 -6.216 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.358 -6.894 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.414 -6.603 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.654 -4.900 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.472 -4.467 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.345 -2.569 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.787 -2.134 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.622 -1.181 -1.974 1.00 0.00 H new ATOM 766 N ALA A 51 -1.859 -6.462 -6.671 1.00 0.00 N ATOM 767 CA ALA A 51 -1.785 -5.923 -8.024 1.00 0.00 C ATOM 768 C ALA A 51 -3.173 -5.874 -8.665 1.00 0.00 C ATOM 769 O ALA A 51 -3.452 -5.016 -9.511 1.00 0.00 O ATOM 770 CB ALA A 51 -0.838 -6.754 -8.878 1.00 0.00 C ATOM 0 H ALA A 51 -1.390 -7.360 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.398 -4.906 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.795 -6.337 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.158 -6.739 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.198 -7.782 -8.926 1.00 0.00 H new ATOM 776 N ASP A 52 -4.043 -6.792 -8.250 1.00 0.00 N ATOM 777 CA ASP A 52 -5.417 -6.842 -8.756 1.00 0.00 C ATOM 778 C ASP A 52 -6.189 -5.723 -8.147 1.00 0.00 C ATOM 779 O ASP A 52 -6.938 -5.013 -8.823 1.00 0.00 O ATOM 780 CB ASP A 52 -6.087 -8.149 -8.379 1.00 0.00 C ATOM 781 CG ASP A 52 -7.459 -8.287 -9.012 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.536 -8.752 -10.184 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.474 -7.923 -8.374 1.00 0.00 O ATOM 0 H ASP A 52 -3.822 -7.513 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.393 -6.759 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.458 -8.982 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.180 -8.209 -7.295 1.00 0.00 H new ATOM 788 N LEU A 53 -5.990 -5.571 -6.859 1.00 0.00 N ATOM 789 CA LEU A 53 -6.571 -4.522 -6.077 1.00 0.00 C ATOM 790 C LEU A 53 -6.215 -3.164 -6.669 1.00 0.00 C ATOM 791 O LEU A 53 -7.088 -2.303 -6.862 1.00 0.00 O ATOM 792 CB LEU A 53 -6.059 -4.636 -4.642 1.00 0.00 C ATOM 793 CG LEU A 53 -6.412 -5.899 -3.860 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.861 -5.816 -2.443 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.912 -6.132 -3.834 1.00 0.00 C ATOM 0 H LEU A 53 -5.398 -6.199 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.657 -4.616 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.973 -4.549 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.435 -3.779 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.952 -6.747 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.121 -6.723 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.777 -5.713 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.291 -4.952 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.130 -7.039 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.404 -5.283 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.281 -6.242 -4.854 1.00 0.00 H new ATOM 807 N ALA A 54 -4.940 -3.000 -6.976 1.00 0.00 N ATOM 808 CA ALA A 54 -4.420 -1.798 -7.600 1.00 0.00 C ATOM 809 C ALA A 54 -5.065 -1.564 -8.957 1.00 0.00 C ATOM 810 O ALA A 54 -5.232 -0.429 -9.399 1.00 0.00 O ATOM 811 CB ALA A 54 -2.905 -1.886 -7.742 1.00 0.00 C ATOM 0 H ALA A 54 -4.228 -3.708 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.664 -0.952 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.530 -0.977 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.453 -1.998 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.647 -2.746 -8.359 1.00 0.00 H new ATOM 817 N LYS A 55 -5.411 -2.637 -9.624 1.00 0.00 N ATOM 818 CA LYS A 55 -5.987 -2.544 -10.933 1.00 0.00 C ATOM 819 C LYS A 55 -7.448 -2.143 -10.876 1.00 0.00 C ATOM 820 O LYS A 55 -7.931 -1.404 -11.739 1.00 0.00 O ATOM 821 CB LYS A 55 -5.820 -3.850 -11.701 1.00 0.00 C ATOM 822 CG LYS A 55 -6.261 -3.743 -13.138 1.00 0.00 C ATOM 823 CD LYS A 55 -6.163 -5.057 -13.860 1.00 0.00 C ATOM 824 CE LYS A 55 -6.562 -4.893 -15.311 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.929 -4.337 -15.466 1.00 0.00 N ATOM 0 H LYS A 55 -5.301 -3.589 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.448 -1.761 -11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.774 -4.154 -11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.395 -4.633 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.290 -3.386 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.648 -3.002 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.144 -5.438 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.809 -5.792 -13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.848 -4.237 -15.809 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.508 -5.860 -15.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.259 -4.493 -16.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.574 -4.811 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.914 -3.317 -15.265 1.00 0.00 H new ATOM 839 N LYS A 56 -8.153 -2.603 -9.865 1.00 0.00 N ATOM 840 CA LYS A 56 -9.567 -2.300 -9.782 1.00 0.00 C ATOM 841 C LYS A 56 -9.787 -0.855 -9.338 1.00 0.00 C ATOM 842 O LYS A 56 -10.781 -0.230 -9.707 1.00 0.00 O ATOM 843 CB LYS A 56 -10.296 -3.275 -8.862 1.00 0.00 C ATOM 844 CG LYS A 56 -11.805 -3.094 -8.873 1.00 0.00 C ATOM 845 CD LYS A 56 -12.498 -4.069 -7.950 1.00 0.00 C ATOM 846 CE LYS A 56 -14.013 -3.927 -8.035 1.00 0.00 C ATOM 847 NZ LYS A 56 -14.479 -2.565 -7.670 1.00 0.00 N ATOM 0 H LYS A 56 -7.783 -3.175 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.990 -2.417 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.057 -4.295 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.929 -3.147 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.050 -2.075 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.179 -3.227 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.210 -5.088 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.171 -3.898 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.340 -4.160 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.481 -4.657 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.515 -2.565 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.052 -2.283 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.197 -1.892 -8.411 1.00 0.00 H new ATOM 861 N LEU A 57 -8.859 -0.328 -8.561 1.00 0.00 N ATOM 862 CA LEU A 57 -8.935 1.029 -8.111 1.00 0.00 C ATOM 863 C LEU A 57 -7.831 1.887 -8.727 1.00 0.00 C ATOM 864 O LEU A 57 -6.734 1.984 -8.198 1.00 0.00 O ATOM 865 CB LEU A 57 -8.918 1.078 -6.602 1.00 0.00 C ATOM 866 CG LEU A 57 -10.149 0.492 -5.932 1.00 0.00 C ATOM 867 CD1 LEU A 57 -9.944 0.378 -4.432 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.368 1.356 -6.223 1.00 0.00 C ATOM 0 H LEU A 57 -8.038 -0.835 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.880 1.454 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.038 0.543 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.810 2.116 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.313 -0.507 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.838 -0.044 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.092 -0.271 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.754 1.367 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.244 0.925 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.200 2.363 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.535 1.399 -7.299 1.00 0.00 H new ATOM 880 N PRO A 58 -8.120 2.491 -9.886 1.00 0.00 N ATOM 881 CA PRO A 58 -7.148 3.296 -10.652 1.00 0.00 C ATOM 882 C PRO A 58 -6.851 4.659 -10.021 1.00 0.00 C ATOM 883 O PRO A 58 -5.750 5.208 -10.173 1.00 0.00 O ATOM 884 CB PRO A 58 -7.861 3.494 -11.989 1.00 0.00 C ATOM 885 CG PRO A 58 -9.306 3.446 -11.645 1.00 0.00 C ATOM 886 CD PRO A 58 -9.424 2.419 -10.564 1.00 0.00 C ATOM 0 HA PRO A 58 -6.178 2.802 -10.710 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.592 4.446 -12.446 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.595 2.713 -12.701 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.661 4.418 -11.303 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.907 3.174 -12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.245 2.644 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.611 1.426 -10.971 1.00 0.00 H new ATOM 894 N ASN A 59 -7.826 5.198 -9.315 1.00 0.00 N ATOM 895 CA ASN A 59 -7.709 6.500 -8.718 1.00 0.00 C ATOM 896 C ASN A 59 -7.074 6.415 -7.347 1.00 0.00 C ATOM 897 O ASN A 59 -6.789 7.424 -6.735 1.00 0.00 O ATOM 898 CB ASN A 59 -9.091 7.148 -8.616 1.00 0.00 C ATOM 899 CG ASN A 59 -10.041 6.392 -7.705 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.731 5.468 -8.138 1.00 0.00 O ATOM 901 ND2 ASN A 59 -10.099 6.783 -6.456 1.00 0.00 N ATOM 0 H ASN A 59 -8.720 4.739 -9.143 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.067 7.112 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.980 8.168 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.529 7.214 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.732 6.318 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.512 7.552 -6.135 1.00 0.00 H new ATOM 908 N VAL A 60 -6.861 5.210 -6.881 1.00 0.00 N ATOM 909 CA VAL A 60 -6.278 4.994 -5.584 1.00 0.00 C ATOM 910 C VAL A 60 -4.801 4.690 -5.747 1.00 0.00 C ATOM 911 O VAL A 60 -4.410 3.910 -6.627 1.00 0.00 O ATOM 912 CB VAL A 60 -6.998 3.841 -4.819 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.356 3.582 -3.460 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.475 4.168 -4.642 1.00 0.00 C ATOM 0 H VAL A 60 -7.087 4.355 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.401 5.899 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.897 2.935 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.884 2.772 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.311 3.303 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.413 4.485 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.966 3.355 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.577 5.092 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.940 4.291 -5.620 1.00 0.00 H new ATOM 924 N LEU A 61 -3.990 5.321 -4.938 1.00 0.00 N ATOM 925 CA LEU A 61 -2.589 5.139 -4.996 1.00 0.00 C ATOM 926 C LEU A 61 -2.168 4.005 -4.096 1.00 0.00 C ATOM 927 O LEU A 61 -2.342 4.059 -2.874 1.00 0.00 O ATOM 928 CB LEU A 61 -1.834 6.428 -4.610 1.00 0.00 C ATOM 929 CG LEU A 61 -1.838 7.618 -5.609 1.00 0.00 C ATOM 930 CD1 LEU A 61 -3.226 8.188 -5.826 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.884 8.708 -5.138 1.00 0.00 C ATOM 0 H LEU A 61 -4.299 5.977 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.331 4.893 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.249 6.785 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.795 6.159 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.498 7.231 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.173 9.017 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.880 7.412 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.625 8.545 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.898 9.535 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.197 9.066 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.126 8.304 -5.071 1.00 0.00 H new ATOM 943 N PHE A 62 -1.652 2.979 -4.694 1.00 0.00 N ATOM 944 CA PHE A 62 -1.106 1.877 -3.968 1.00 0.00 C ATOM 945 C PHE A 62 0.384 1.979 -4.066 1.00 0.00 C ATOM 946 O PHE A 62 0.914 2.326 -5.115 1.00 0.00 O ATOM 947 CB PHE A 62 -1.568 0.545 -4.542 1.00 0.00 C ATOM 948 CG PHE A 62 -3.066 0.336 -4.516 1.00 0.00 C ATOM 949 CD1 PHE A 62 -3.882 0.884 -5.493 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.651 -0.413 -3.512 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.247 0.690 -5.465 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.018 -0.612 -3.478 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.816 -0.059 -4.456 1.00 0.00 C ATOM 0 H PHE A 62 -1.597 2.882 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.443 1.915 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.221 0.468 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.092 -0.261 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.443 1.471 -6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.031 -0.849 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.870 1.124 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.460 -1.200 -2.687 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.885 -0.212 -4.433 1.00 0.00 H new ATOM 963 N LEU A 63 1.047 1.713 -3.004 1.00 0.00 N ATOM 964 CA LEU A 63 2.482 1.820 -2.952 1.00 0.00 C ATOM 965 C LEU A 63 3.128 0.517 -2.587 1.00 0.00 C ATOM 966 O LEU A 63 2.691 -0.166 -1.670 1.00 0.00 O ATOM 967 CB LEU A 63 2.967 2.938 -2.000 1.00 0.00 C ATOM 968 CG LEU A 63 2.830 4.407 -2.468 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.390 4.834 -2.648 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.551 5.344 -1.516 1.00 0.00 C ATOM 0 H LEU A 63 0.618 1.411 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 63 2.791 2.090 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.423 2.835 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.019 2.755 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 63 3.300 4.467 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.357 5.873 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.914 4.201 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.860 4.736 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.442 6.371 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.121 5.251 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.609 5.083 -1.481 1.00 0.00 H new ATOM 982 N LYS A 64 4.166 0.188 -3.307 1.00 0.00 N ATOM 983 CA LYS A 64 4.920 -0.999 -3.070 1.00 0.00 C ATOM 984 C LYS A 64 6.194 -0.528 -2.442 1.00 0.00 C ATOM 985 O LYS A 64 6.982 0.180 -3.074 1.00 0.00 O ATOM 986 CB LYS A 64 5.220 -1.676 -4.433 1.00 0.00 C ATOM 987 CG LYS A 64 5.682 -3.144 -4.391 1.00 0.00 C ATOM 988 CD LYS A 64 7.051 -3.360 -3.759 1.00 0.00 C ATOM 989 CE LYS A 64 7.391 -4.839 -3.771 1.00 0.00 C ATOM 990 NZ LYS A 64 8.741 -5.140 -3.213 1.00 0.00 N ATOM 0 H LYS A 64 4.512 0.750 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 64 4.398 -1.718 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.320 -1.620 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.988 -1.092 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.945 -3.727 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.700 -3.535 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.808 -2.798 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.053 -2.984 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.640 -5.382 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.339 -5.208 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.932 -6.159 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.462 -4.608 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.772 -4.863 -2.211 1.00 0.00 H new ATOM 1004 N VAL A 65 6.399 -0.869 -1.229 1.00 0.00 N ATOM 1005 CA VAL A 65 7.584 -0.466 -0.567 1.00 0.00 C ATOM 1006 C VAL A 65 8.386 -1.670 -0.250 1.00 0.00 C ATOM 1007 O VAL A 65 7.955 -2.542 0.500 1.00 0.00 O ATOM 1008 CB VAL A 65 7.293 0.341 0.728 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.587 0.703 1.440 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.514 1.604 0.400 1.00 0.00 C ATOM 0 H VAL A 65 5.759 -1.430 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 65 8.137 0.197 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 65 6.694 -0.285 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.359 1.268 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.123 -0.208 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.208 1.309 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.318 2.159 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.096 2.224 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.568 1.336 -0.071 1.00 0.00 H new ATOM 1020 N ASP A 66 9.535 -1.741 -0.827 1.00 0.00 N ATOM 1021 CA ASP A 66 10.406 -2.818 -0.551 1.00 0.00 C ATOM 1022 C ASP A 66 11.334 -2.358 0.521 1.00 0.00 C ATOM 1023 O ASP A 66 11.892 -1.266 0.424 1.00 0.00 O ATOM 1024 CB ASP A 66 11.171 -3.223 -1.774 1.00 0.00 C ATOM 1025 CG ASP A 66 11.893 -4.520 -1.573 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.980 -4.527 -0.972 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.348 -5.565 -2.002 1.00 0.00 O ATOM 0 H ASP A 66 9.891 -1.059 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 66 9.841 -3.694 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.487 -3.315 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.888 -2.443 -2.029 1.00 0.00 H new ATOM 1032 N THR A 67 11.486 -3.143 1.531 1.00 0.00 N ATOM 1033 CA THR A 67 12.246 -2.749 2.680 1.00 0.00 C ATOM 1034 C THR A 67 13.752 -2.701 2.436 1.00 0.00 C ATOM 1035 O THR A 67 14.492 -2.128 3.236 1.00 0.00 O ATOM 1036 CB THR A 67 11.898 -3.610 3.899 1.00 0.00 C ATOM 1037 OG1 THR A 67 12.065 -5.001 3.561 1.00 0.00 O ATOM 1038 CG2 THR A 67 10.457 -3.368 4.330 1.00 0.00 C ATOM 0 H THR A 67 11.088 -4.080 1.589 1.00 0.00 H new ATOM 0 HA THR A 67 11.953 -1.721 2.892 1.00 0.00 H new ATOM 0 HB THR A 67 12.561 -3.341 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.577 -5.555 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.228 -3.988 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.327 -2.318 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.784 -3.625 3.512 1.00 0.00 H new ATOM 1046 N ASP A 68 14.222 -3.308 1.368 1.00 0.00 N ATOM 1047 CA ASP A 68 15.619 -3.165 1.057 1.00 0.00 C ATOM 1048 C ASP A 68 15.826 -1.861 0.358 1.00 0.00 C ATOM 1049 O ASP A 68 16.756 -1.112 0.650 1.00 0.00 O ATOM 1050 CB ASP A 68 16.151 -4.290 0.206 1.00 0.00 C ATOM 1051 CG ASP A 68 17.632 -4.118 -0.016 1.00 0.00 C ATOM 1052 OD1 ASP A 68 18.395 -4.177 0.979 1.00 0.00 O ATOM 1053 OD2 ASP A 68 18.053 -3.861 -1.160 1.00 0.00 O ATOM 0 H ASP A 68 13.678 -3.883 0.725 1.00 0.00 H new ATOM 0 HA ASP A 68 16.171 -3.196 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.957 -5.246 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.632 -4.308 -0.752 1.00 0.00 H new ATOM 1058 N GLU A 69 14.922 -1.594 -0.538 1.00 0.00 N ATOM 1059 CA GLU A 69 14.910 -0.416 -1.333 1.00 0.00 C ATOM 1060 C GLU A 69 14.682 0.827 -0.497 1.00 0.00 C ATOM 1061 O GLU A 69 15.508 1.738 -0.481 1.00 0.00 O ATOM 1062 CB GLU A 69 13.821 -0.543 -2.365 1.00 0.00 C ATOM 1063 CG GLU A 69 14.059 -1.623 -3.409 1.00 0.00 C ATOM 1064 CD GLU A 69 15.319 -1.386 -4.206 1.00 0.00 C ATOM 1065 OE1 GLU A 69 15.291 -0.569 -5.142 1.00 0.00 O ATOM 1066 OE2 GLU A 69 16.355 -1.996 -3.905 1.00 0.00 O ATOM 0 H GLU A 69 14.143 -2.222 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 69 15.884 -0.312 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.879 -0.749 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.706 0.415 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.121 -2.593 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.206 -1.664 -4.087 1.00 0.00 H new ATOM 1073 N LEU A 70 13.580 0.867 0.197 1.00 0.00 N ATOM 1074 CA LEU A 70 13.255 1.991 0.991 1.00 0.00 C ATOM 1075 C LEU A 70 13.406 1.587 2.447 1.00 0.00 C ATOM 1076 O LEU A 70 12.440 1.472 3.217 1.00 0.00 O ATOM 1077 CB LEU A 70 11.855 2.487 0.653 1.00 0.00 C ATOM 1078 CG LEU A 70 11.423 3.750 1.348 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.358 4.896 1.001 1.00 0.00 C ATOM 1080 CD2 LEU A 70 9.986 4.102 1.015 1.00 0.00 C ATOM 0 H LEU A 70 12.890 0.116 0.220 1.00 0.00 H new ATOM 0 HA LEU A 70 13.926 2.827 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.797 2.649 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.142 1.699 0.896 1.00 0.00 H new ATOM 0 HG LEU A 70 11.476 3.576 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.030 5.801 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.371 4.647 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.345 5.063 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.707 5.019 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.887 4.249 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.330 3.292 1.332 1.00 0.00 H new ATOM 1092 N LYS A 71 14.634 1.327 2.780 1.00 0.00 N ATOM 1093 CA LYS A 71 15.024 0.763 4.036 1.00 0.00 C ATOM 1094 C LYS A 71 14.816 1.742 5.191 1.00 0.00 C ATOM 1095 O LYS A 71 14.324 1.362 6.262 1.00 0.00 O ATOM 1096 CB LYS A 71 16.486 0.320 3.934 1.00 0.00 C ATOM 1097 CG LYS A 71 16.954 -0.585 5.052 1.00 0.00 C ATOM 1098 CD LYS A 71 18.421 -0.990 4.876 1.00 0.00 C ATOM 1099 CE LYS A 71 18.669 -1.753 3.567 1.00 0.00 C ATOM 1100 NZ LYS A 71 17.910 -3.030 3.488 1.00 0.00 N ATOM 0 H LYS A 71 15.423 1.509 2.159 1.00 0.00 H new ATOM 0 HA LYS A 71 14.393 -0.098 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.629 -0.195 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.119 1.207 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.829 -0.077 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.331 -1.479 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.046 -0.097 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.726 -1.611 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.392 -1.119 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.734 -1.963 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.063 -3.468 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.240 -3.676 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.896 -2.840 3.619 1.00 0.00 H new ATOM 1114 N SER A 72 15.163 2.989 4.962 1.00 0.00 N ATOM 1115 CA SER A 72 15.082 4.017 5.984 1.00 0.00 C ATOM 1116 C SER A 72 13.641 4.278 6.441 1.00 0.00 C ATOM 1117 O SER A 72 13.378 4.365 7.636 1.00 0.00 O ATOM 1118 CB SER A 72 15.724 5.286 5.478 1.00 0.00 C ATOM 1119 OG SER A 72 17.046 5.033 5.022 1.00 0.00 O ATOM 0 H SER A 72 15.510 3.322 4.063 1.00 0.00 H new ATOM 0 HA SER A 72 15.623 3.659 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.128 5.703 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.745 6.031 6.273 1.00 0.00 H new ATOM 0 HG SER A 72 17.445 5.867 4.696 1.00 0.00 H new ATOM 1125 N VAL A 73 12.710 4.369 5.501 1.00 0.00 N ATOM 1126 CA VAL A 73 11.309 4.621 5.845 1.00 0.00 C ATOM 1127 C VAL A 73 10.710 3.405 6.549 1.00 0.00 C ATOM 1128 O VAL A 73 9.954 3.541 7.513 1.00 0.00 O ATOM 1129 CB VAL A 73 10.468 5.027 4.601 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.001 5.224 4.954 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.025 6.298 3.991 1.00 0.00 C ATOM 0 H VAL A 73 12.892 4.274 4.502 1.00 0.00 H new ATOM 0 HA VAL A 73 11.280 5.467 6.531 1.00 0.00 H new ATOM 0 HB VAL A 73 10.532 4.214 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.446 5.507 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.595 4.295 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.909 6.012 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.430 6.575 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.988 7.101 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.058 6.133 3.686 1.00 0.00 H new ATOM 1141 N ALA A 74 11.096 2.221 6.100 1.00 0.00 N ATOM 1142 CA ALA A 74 10.644 0.983 6.723 1.00 0.00 C ATOM 1143 C ALA A 74 11.136 0.914 8.170 1.00 0.00 C ATOM 1144 O ALA A 74 10.447 0.404 9.056 1.00 0.00 O ATOM 1145 CB ALA A 74 11.146 -0.212 5.939 1.00 0.00 C ATOM 0 H ALA A 74 11.722 2.089 5.306 1.00 0.00 H new ATOM 0 HA ALA A 74 9.554 0.966 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.801 -1.130 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.763 -0.166 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.236 -0.201 5.918 1.00 0.00 H new ATOM 1151 N SER A 75 12.324 1.438 8.396 1.00 0.00 N ATOM 1152 CA SER A 75 12.891 1.488 9.712 1.00 0.00 C ATOM 1153 C SER A 75 12.216 2.605 10.546 1.00 0.00 C ATOM 1154 O SER A 75 11.966 2.435 11.742 1.00 0.00 O ATOM 1155 CB SER A 75 14.412 1.700 9.616 1.00 0.00 C ATOM 1156 OG SER A 75 15.029 1.687 10.889 1.00 0.00 O ATOM 0 H SER A 75 12.916 1.838 7.668 1.00 0.00 H new ATOM 0 HA SER A 75 12.710 0.541 10.220 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.849 0.919 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.615 2.651 9.124 1.00 0.00 H new ATOM 0 HG SER A 75 15.994 1.823 10.786 1.00 0.00 H new ATOM 1162 N ASP A 76 11.902 3.731 9.895 1.00 0.00 N ATOM 1163 CA ASP A 76 11.276 4.888 10.566 1.00 0.00 C ATOM 1164 C ASP A 76 9.875 4.568 11.061 1.00 0.00 C ATOM 1165 O ASP A 76 9.469 5.016 12.144 1.00 0.00 O ATOM 1166 CB ASP A 76 11.225 6.105 9.627 1.00 0.00 C ATOM 1167 CG ASP A 76 10.555 7.319 10.257 1.00 0.00 C ATOM 1168 OD1 ASP A 76 11.227 8.053 11.021 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.361 7.564 9.988 1.00 0.00 O ATOM 0 H ASP A 76 12.070 3.871 8.899 1.00 0.00 H new ATOM 0 HA ASP A 76 11.897 5.125 11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.240 6.371 9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.689 5.833 8.718 1.00 0.00 H new ATOM 1174 N TRP A 77 9.149 3.789 10.290 1.00 0.00 N ATOM 1175 CA TRP A 77 7.800 3.393 10.645 1.00 0.00 C ATOM 1176 C TRP A 77 7.785 2.102 11.432 1.00 0.00 C ATOM 1177 O TRP A 77 6.718 1.626 11.834 1.00 0.00 O ATOM 1178 CB TRP A 77 6.910 3.286 9.411 1.00 0.00 C ATOM 1179 CG TRP A 77 6.627 4.601 8.739 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.499 5.370 8.037 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.371 5.290 8.696 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.874 6.494 7.571 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.567 6.469 7.956 1.00 0.00 C ATOM 1184 CE3 TRP A 77 4.102 5.025 9.212 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.545 7.381 7.718 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 3.086 5.931 8.974 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.315 7.095 8.232 1.00 0.00 C ATOM 0 H TRP A 77 9.475 3.412 9.400 1.00 0.00 H new ATOM 0 HA TRP A 77 7.395 4.176 11.286 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.384 2.618 8.692 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.964 2.826 9.698 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.538 5.128 7.870 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.315 7.232 7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.917 4.129 9.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.719 8.282 7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.099 5.737 9.367 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.499 7.782 8.063 1.00 0.00 H new ATOM 1198 N ALA A 78 8.973 1.556 11.660 1.00 0.00 N ATOM 1199 CA ALA A 78 9.177 0.312 12.390 1.00 0.00 C ATOM 1200 C ALA A 78 8.343 -0.833 11.831 1.00 0.00 C ATOM 1201 O ALA A 78 7.301 -1.197 12.381 1.00 0.00 O ATOM 1202 CB ALA A 78 8.979 0.481 13.896 1.00 0.00 C ATOM 0 H ALA A 78 9.843 1.977 11.334 1.00 0.00 H new ATOM 0 HA ALA A 78 10.222 0.040 12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.142 -0.475 14.394 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.690 1.215 14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.963 0.824 14.093 1.00 0.00 H new ATOM 1208 N ILE A 79 8.761 -1.335 10.705 1.00 0.00 N ATOM 1209 CA ILE A 79 8.097 -2.446 10.078 1.00 0.00 C ATOM 1210 C ILE A 79 8.772 -3.731 10.535 1.00 0.00 C ATOM 1211 O ILE A 79 9.876 -4.071 10.068 1.00 0.00 O ATOM 1212 CB ILE A 79 8.152 -2.331 8.525 1.00 0.00 C ATOM 1213 CG1 ILE A 79 7.535 -0.987 8.038 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.476 -3.525 7.852 1.00 0.00 C ATOM 1215 CD1 ILE A 79 6.077 -0.760 8.425 1.00 0.00 C ATOM 0 H ILE A 79 9.572 -0.987 10.194 1.00 0.00 H new ATOM 0 HA ILE A 79 7.047 -2.448 10.369 1.00 0.00 H new ATOM 0 HB ILE A 79 9.202 -2.341 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.132 -0.167 8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.617 -0.941 6.952 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.533 -3.412 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.982 -4.444 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.431 -3.571 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.744 0.203 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.461 -1.554 8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.983 -0.767 9.511 1.00 0.00 H new ATOM 1227 N GLN A 80 8.160 -4.411 11.481 1.00 0.00 N ATOM 1228 CA GLN A 80 8.735 -5.604 12.020 1.00 0.00 C ATOM 1229 C GLN A 80 8.297 -6.842 11.248 1.00 0.00 C ATOM 1230 O GLN A 80 9.044 -7.826 11.165 1.00 0.00 O ATOM 1231 CB GLN A 80 8.451 -5.766 13.537 1.00 0.00 C ATOM 1232 CG GLN A 80 7.000 -6.083 13.957 1.00 0.00 C ATOM 1233 CD GLN A 80 5.989 -5.016 13.610 1.00 0.00 C ATOM 1234 OE1 GLN A 80 6.307 -3.836 13.549 1.00 0.00 O ATOM 1235 NE2 GLN A 80 4.769 -5.424 13.386 1.00 0.00 N ATOM 0 H GLN A 80 7.262 -4.149 11.887 1.00 0.00 H new ATOM 0 HA GLN A 80 9.814 -5.502 11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.093 -6.561 13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.753 -4.846 14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.697 -7.017 13.485 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.977 -6.248 15.034 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.544 -6.417 13.447 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.041 -4.750 13.150 1.00 0.00 H new ATOM 1244 N ALA A 81 7.117 -6.798 10.659 1.00 0.00 N ATOM 1245 CA ALA A 81 6.616 -7.950 9.956 1.00 0.00 C ATOM 1246 C ALA A 81 6.170 -7.590 8.563 1.00 0.00 C ATOM 1247 O ALA A 81 5.417 -6.632 8.362 1.00 0.00 O ATOM 1248 CB ALA A 81 5.504 -8.621 10.735 1.00 0.00 C ATOM 0 H ALA A 81 6.499 -5.986 10.656 1.00 0.00 H new ATOM 0 HA ALA A 81 7.434 -8.665 9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.144 -9.488 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.882 -8.942 11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.685 -7.917 10.879 1.00 0.00 H new ATOM 1254 N MET A 82 6.655 -8.339 7.610 1.00 0.00 N ATOM 1255 CA MET A 82 6.348 -8.133 6.217 1.00 0.00 C ATOM 1256 C MET A 82 5.566 -9.326 5.701 1.00 0.00 C ATOM 1257 O MET A 82 5.840 -10.460 6.101 1.00 0.00 O ATOM 1258 CB MET A 82 7.644 -8.003 5.432 1.00 0.00 C ATOM 1259 CG MET A 82 8.523 -6.855 5.885 1.00 0.00 C ATOM 1260 SD MET A 82 10.095 -6.799 5.018 1.00 0.00 S ATOM 1261 CE MET A 82 10.794 -8.379 5.507 1.00 0.00 C ATOM 0 H MET A 82 7.285 -9.123 7.781 1.00 0.00 H new ATOM 0 HA MET A 82 5.757 -7.225 6.098 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.205 -8.934 5.519 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.406 -7.871 4.376 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.994 -5.915 5.730 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.707 -6.944 6.956 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.859 -8.260 5.706 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.294 -8.735 6.408 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.653 -9.103 4.704 1.00 0.00 H new ATOM 1271 N PRO A 83 4.587 -9.113 4.819 1.00 0.00 N ATOM 1272 CA PRO A 83 4.220 -7.792 4.320 1.00 0.00 C ATOM 1273 C PRO A 83 3.225 -7.105 5.243 1.00 0.00 C ATOM 1274 O PRO A 83 2.511 -7.763 6.010 1.00 0.00 O ATOM 1275 CB PRO A 83 3.559 -8.118 2.992 1.00 0.00 C ATOM 1276 CG PRO A 83 2.880 -9.417 3.235 1.00 0.00 C ATOM 1277 CD PRO A 83 3.738 -10.164 4.230 1.00 0.00 C ATOM 0 HA PRO A 83 5.070 -7.114 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.848 -7.345 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.293 -8.196 2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.875 -9.263 3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.778 -9.982 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.132 -10.660 4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.335 -10.935 3.744 1.00 0.00 H new ATOM 1285 N THR A 84 3.198 -5.829 5.210 1.00 0.00 N ATOM 1286 CA THR A 84 2.269 -5.119 6.000 1.00 0.00 C ATOM 1287 C THR A 84 1.585 -4.078 5.132 1.00 0.00 C ATOM 1288 O THR A 84 2.239 -3.276 4.457 1.00 0.00 O ATOM 1289 CB THR A 84 2.944 -4.509 7.267 1.00 0.00 C ATOM 1290 OG1 THR A 84 1.996 -3.941 8.167 1.00 0.00 O ATOM 1291 CG2 THR A 84 3.977 -3.483 6.932 1.00 0.00 C ATOM 0 H THR A 84 3.814 -5.249 4.640 1.00 0.00 H new ATOM 0 HA THR A 84 1.508 -5.801 6.379 1.00 0.00 H new ATOM 0 HB THR A 84 3.436 -5.349 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.120 -4.357 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.414 -3.093 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.759 -3.939 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.514 -2.668 6.376 1.00 0.00 H new ATOM 1299 N PHE A 85 0.287 -4.107 5.135 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.482 -3.260 4.324 1.00 0.00 C ATOM 1301 C PHE A 85 -1.061 -2.185 5.185 1.00 0.00 C ATOM 1302 O PHE A 85 -1.787 -2.462 6.131 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.620 -4.061 3.701 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.193 -5.217 2.840 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.995 -6.477 3.391 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.003 -5.050 1.483 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.611 -7.539 2.601 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.619 -6.111 0.689 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.423 -7.355 1.248 1.00 0.00 C ATOM 0 H PHE A 85 -0.263 -4.738 5.718 1.00 0.00 H new ATOM 0 HA PHE A 85 0.136 -2.828 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.256 -4.440 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.231 -3.387 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.144 -6.626 4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.157 -4.078 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.458 -8.513 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.472 -5.966 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.122 -8.185 0.626 1.00 0.00 H new ATOM 1319 N MET A 86 -0.750 -0.985 4.876 1.00 0.00 N ATOM 1320 CA MET A 86 -1.249 0.128 5.606 1.00 0.00 C ATOM 1321 C MET A 86 -2.233 0.861 4.746 1.00 0.00 C ATOM 1322 O MET A 86 -1.910 1.312 3.644 1.00 0.00 O ATOM 1323 CB MET A 86 -0.093 1.037 6.034 1.00 0.00 C ATOM 1324 CG MET A 86 -0.504 2.300 6.779 1.00 0.00 C ATOM 1325 SD MET A 86 0.903 3.375 7.160 1.00 0.00 S ATOM 1326 CE MET A 86 1.915 2.296 8.174 1.00 0.00 C ATOM 0 H MET A 86 -0.135 -0.738 4.101 1.00 0.00 H new ATOM 0 HA MET A 86 -1.753 -0.208 6.512 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.583 0.464 6.668 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.470 1.325 5.146 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.226 2.853 6.178 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.006 2.023 7.706 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.004 2.716 9.176 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.450 1.312 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.906 2.203 7.730 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.413 0.965 5.238 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.474 1.578 4.570 1.00 0.00 C ATOM 1338 C PHE A 87 -4.715 2.927 5.172 1.00 0.00 C ATOM 1339 O PHE A 87 -5.053 3.058 6.367 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.714 0.727 4.729 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.666 -0.627 4.070 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.095 -1.715 4.715 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.200 -0.812 2.809 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.062 -2.956 4.112 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.171 -2.052 2.199 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.599 -3.124 2.852 1.00 0.00 C ATOM 0 H PHE A 87 -3.665 0.605 6.159 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.237 1.686 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.902 0.586 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.564 1.277 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.671 -1.589 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.647 0.025 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.616 -3.795 4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.595 -2.181 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.571 -4.094 2.378 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.541 3.922 4.391 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.741 5.243 4.848 1.00 0.00 C ATOM 1358 C LEU A 88 -5.807 5.852 3.962 1.00 0.00 C ATOM 1359 O LEU A 88 -5.992 5.416 2.838 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.453 6.068 4.669 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.143 5.481 5.217 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -0.972 6.393 4.889 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.227 5.282 6.695 1.00 0.00 C ATOM 0 H LEU A 88 -4.255 3.845 3.415 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.022 5.240 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.318 6.250 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.608 7.038 5.141 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.985 4.513 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.053 5.961 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.886 6.500 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.136 7.372 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.288 4.866 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.412 6.240 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.042 4.595 6.924 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.469 6.847 4.425 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.434 7.522 3.613 1.00 0.00 C ATOM 1377 C LYS A 89 -7.228 8.981 3.707 1.00 0.00 C ATOM 1378 O LYS A 89 -7.223 9.549 4.798 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.868 7.156 3.967 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.900 7.916 3.150 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.314 7.456 3.414 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.289 8.264 2.577 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.676 7.784 2.702 1.00 0.00 N ATOM 0 H LYS A 89 -6.365 7.221 5.368 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.281 7.194 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.011 6.086 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.036 7.353 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.822 8.980 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.676 7.796 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.410 6.396 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.550 7.569 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.242 9.310 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.986 8.221 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.300 8.369 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.730 6.794 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.978 7.849 3.695 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.980 9.579 2.552 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.749 11.000 2.402 1.00 0.00 C ATOM 1399 C GLU A 90 -5.462 11.410 3.146 1.00 0.00 C ATOM 1400 O GLU A 90 -5.238 12.582 3.443 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.946 11.799 2.909 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.260 11.467 2.220 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.436 12.146 2.865 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.905 11.667 3.917 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.915 13.171 2.335 1.00 0.00 O ATOM 0 H GLU A 90 -6.933 9.070 1.669 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.623 11.222 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.057 11.625 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.740 12.861 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.203 11.764 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.413 10.388 2.237 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.616 10.426 3.413 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.392 10.652 4.150 1.00 0.00 C ATOM 1414 C GLY A 91 -3.561 10.435 5.653 1.00 0.00 C ATOM 1415 O GLY A 91 -2.614 10.586 6.413 1.00 0.00 O ATOM 0 H GLY A 91 -4.761 9.458 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.618 9.982 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.047 11.670 3.970 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.768 10.100 6.082 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.035 9.809 7.490 1.00 0.00 C ATOM 1421 C LYS A 92 -4.999 8.299 7.698 1.00 0.00 C ATOM 1422 O LYS A 92 -5.507 7.550 6.861 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.419 10.343 7.950 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.617 11.874 8.214 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.433 12.819 7.011 1.00 0.00 C ATOM 1426 CE LYS A 92 -4.979 13.194 6.763 1.00 0.00 C ATOM 1427 NZ LYS A 92 -4.842 14.151 5.638 1.00 0.00 N ATOM 0 H LYS A 92 -5.584 10.022 5.475 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.269 10.309 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.148 10.047 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.680 9.819 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.621 12.023 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.918 12.177 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.837 12.343 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.013 13.727 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.557 13.633 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.403 12.294 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.872 14.525 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.045 13.664 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.513 14.935 5.766 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.404 7.857 8.788 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.300 6.431 9.090 1.00 0.00 C ATOM 1443 C ILE A 93 -5.655 5.861 9.463 1.00 0.00 C ATOM 1444 O ILE A 93 -6.293 6.324 10.408 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.282 6.149 10.255 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.866 6.617 9.868 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.267 4.657 10.616 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.838 6.481 10.977 1.00 0.00 C ATOM 0 H ILE A 93 -3.980 8.465 9.488 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.933 5.944 8.187 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.607 6.713 11.129 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.530 6.043 9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.913 7.661 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.556 4.485 11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.262 4.350 10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.972 4.074 9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.130 6.832 10.621 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.147 7.078 11.835 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.758 5.435 11.273 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.099 4.871 8.720 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.320 4.212 9.037 1.00 0.00 C ATOM 1462 C LEU A 94 -7.058 2.895 9.681 1.00 0.00 C ATOM 1463 O LEU A 94 -7.446 2.670 10.827 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.208 4.004 7.816 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.811 5.232 7.153 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.797 4.792 6.092 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.492 6.131 8.177 1.00 0.00 C ATOM 0 H LEU A 94 -5.622 4.513 7.892 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.849 4.866 9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.624 3.472 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.027 3.346 8.107 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.012 5.811 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.232 5.669 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.282 4.189 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.588 4.200 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.914 7.001 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.289 5.578 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.761 6.458 8.917 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.359 2.034 8.973 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.179 0.678 9.403 1.00 0.00 C ATOM 1481 C ASP A 95 -4.997 0.060 8.750 1.00 0.00 C ATOM 1482 O ASP A 95 -4.533 0.531 7.723 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.450 -0.166 9.214 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.121 -0.002 7.864 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.690 -0.607 6.888 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.118 0.761 7.776 1.00 0.00 O ATOM 0 H ASP A 95 -5.904 2.260 8.088 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.985 0.702 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.197 -1.217 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.164 0.097 9.994 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.473 -0.956 9.359 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.286 -1.569 8.871 1.00 0.00 C ATOM 1493 C LYS A 96 -3.337 -3.074 9.121 1.00 0.00 C ATOM 1494 O LYS A 96 -3.834 -3.521 10.164 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.089 -0.949 9.587 1.00 0.00 C ATOM 1496 CG LYS A 96 -0.755 -1.353 9.022 1.00 0.00 C ATOM 1497 CD LYS A 96 0.405 -0.736 9.794 1.00 0.00 C ATOM 1498 CE LYS A 96 0.416 -1.183 11.245 1.00 0.00 C ATOM 1499 NZ LYS A 96 1.537 -0.599 11.994 1.00 0.00 N ATOM 0 H LYS A 96 -4.856 -1.380 10.204 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.194 -1.405 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.176 0.137 9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.125 -1.229 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.667 -2.439 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.697 -1.049 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.346 -1.015 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.335 0.351 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.524 -0.899 11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.479 -2.270 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.506 -0.930 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.435 -0.891 11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.464 0.438 11.975 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.841 -3.837 8.176 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.799 -5.281 8.271 1.00 0.00 C ATOM 1515 C VAL A 97 -1.344 -5.733 8.299 1.00 0.00 C ATOM 1516 O VAL A 97 -0.586 -5.458 7.380 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.515 -5.948 7.053 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.485 -7.471 7.151 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.947 -5.455 6.934 1.00 0.00 C ATOM 0 H VAL A 97 -2.450 -3.470 7.308 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.315 -5.583 9.183 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.970 -5.659 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.992 -7.901 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.451 -7.814 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.991 -7.787 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.426 -5.932 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.494 -5.704 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.949 -4.374 6.794 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.963 -6.399 9.355 1.00 0.00 N ATOM 1530 CA VAL A 98 0.380 -6.895 9.511 1.00 0.00 C ATOM 1531 C VAL A 98 0.414 -8.392 9.246 1.00 0.00 C ATOM 1532 O VAL A 98 -0.255 -9.178 9.950 1.00 0.00 O ATOM 1533 CB VAL A 98 0.918 -6.607 10.921 1.00 0.00 C ATOM 1534 CG1 VAL A 98 2.347 -7.096 11.075 1.00 0.00 C ATOM 1535 CG2 VAL A 98 0.824 -5.129 11.251 1.00 0.00 C ATOM 0 H VAL A 98 -1.580 -6.615 10.138 1.00 0.00 H new ATOM 0 HA VAL A 98 1.016 -6.381 8.790 1.00 0.00 H new ATOM 0 HB VAL A 98 0.294 -7.155 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.700 -6.878 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.384 -8.172 10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.985 -6.590 10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.212 -4.955 12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.410 -4.558 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.218 -4.811 11.204 1.00 0.00 H new ATOM 1545 N GLY A 99 1.156 -8.776 8.228 1.00 0.00 N ATOM 1546 CA GLY A 99 1.272 -10.152 7.858 1.00 0.00 C ATOM 1547 C GLY A 99 0.355 -10.468 6.714 1.00 0.00 C ATOM 1548 O GLY A 99 -0.733 -9.875 6.607 1.00 0.00 O ATOM 0 H GLY A 99 1.691 -8.136 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.302 -10.374 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.030 -10.786 8.711 1.00 0.00 H new ATOM 1552 N ALA A 100 0.762 -11.368 5.840 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.095 -11.731 4.755 1.00 0.00 C ATOM 1554 C ALA A 100 -1.155 -12.664 5.267 1.00 0.00 C ATOM 1555 O ALA A 100 -0.889 -13.831 5.600 1.00 0.00 O ATOM 1556 CB ALA A 100 0.690 -12.386 3.625 1.00 0.00 C ATOM 0 H ALA A 100 1.663 -11.846 5.867 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.557 -10.831 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.010 -12.650 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.443 -11.690 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.179 -13.286 3.996 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.338 -12.148 5.346 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.466 -12.868 5.773 1.00 0.00 C ATOM 1564 C LYS A 101 -4.497 -12.742 4.708 1.00 0.00 C ATOM 1565 O LYS A 101 -5.018 -11.659 4.500 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.965 -12.275 7.072 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.930 -12.344 8.173 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.430 -11.831 9.468 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.564 -12.683 10.037 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.136 -14.077 10.309 1.00 0.00 N ATOM 0 H LYS A 101 -2.540 -11.178 5.104 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.232 -13.919 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.248 -11.235 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.864 -12.804 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.608 -13.378 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.052 -11.771 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.609 -11.800 10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.779 -10.807 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.929 -12.230 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.397 -12.691 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.855 -14.554 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.023 -14.587 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.229 -14.069 10.818 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.796 -13.815 4.027 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.659 -13.748 2.895 1.00 0.00 C ATOM 1586 C LYS A 102 -7.094 -13.400 3.290 1.00 0.00 C ATOM 1587 O LYS A 102 -7.714 -12.526 2.677 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.582 -15.039 2.079 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.377 -14.986 0.793 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.207 -16.247 -0.061 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.730 -17.491 0.638 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.579 -18.699 -0.193 1.00 0.00 N ATOM 0 H LYS A 102 -4.448 -14.749 4.244 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.312 -12.934 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.539 -15.250 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.945 -15.867 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.433 -14.852 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.066 -14.116 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.733 -16.116 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.152 -16.383 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.196 -17.629 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.782 -17.351 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.948 -19.523 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.109 -18.579 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.573 -18.848 -0.409 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.600 -14.043 4.327 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.977 -13.806 4.758 1.00 0.00 C ATOM 1608 C ASP A 103 -9.131 -12.449 5.430 1.00 0.00 C ATOM 1609 O ASP A 103 -10.034 -11.678 5.089 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.481 -14.907 5.689 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.949 -14.738 6.023 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.797 -15.126 5.193 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -11.280 -14.239 7.123 1.00 0.00 O ATOM 0 H ASP A 103 -7.089 -14.727 4.885 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.587 -13.816 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.325 -15.878 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.896 -14.900 6.609 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.235 -12.142 6.368 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.304 -10.884 7.098 1.00 0.00 C ATOM 1620 C GLU A 104 -8.070 -9.690 6.169 1.00 0.00 C ATOM 1621 O GLU A 104 -8.612 -8.607 6.395 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.350 -10.858 8.311 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.496 -9.607 9.182 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.580 -9.590 10.386 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.981 -10.077 11.464 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -5.459 -9.071 10.282 1.00 0.00 O ATOM 0 H GLU A 104 -7.458 -12.746 6.637 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.315 -10.801 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.532 -11.740 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.322 -10.924 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.296 -8.726 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.529 -9.531 9.522 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.281 -9.888 5.112 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.057 -8.826 4.140 1.00 0.00 C ATOM 1635 C LEU A 105 -8.364 -8.500 3.475 1.00 0.00 C ATOM 1636 O LEU A 105 -8.775 -7.354 3.432 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.065 -9.249 3.078 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.638 -8.158 2.089 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.968 -6.994 2.814 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.714 -8.724 1.031 1.00 0.00 C ATOM 0 H LEU A 105 -6.794 -10.762 4.912 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.653 -7.959 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.173 -9.633 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.497 -10.076 2.513 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.536 -7.782 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.675 -6.234 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.666 -6.562 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.084 -7.354 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.424 -7.932 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.824 -9.134 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.229 -9.513 0.483 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.020 -9.533 2.981 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.330 -9.397 2.337 1.00 0.00 C ATOM 1654 C GLN A 106 -11.358 -8.791 3.291 1.00 0.00 C ATOM 1655 O GLN A 106 -12.194 -7.990 2.886 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.819 -10.732 1.777 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.923 -11.298 0.690 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.414 -12.620 0.133 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -11.606 -12.896 0.094 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -9.495 -13.449 -0.296 1.00 0.00 N ATOM 0 H GLN A 106 -8.669 -10.490 3.010 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.210 -8.711 1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.890 -11.454 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.825 -10.603 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.849 -10.575 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.918 -11.432 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.510 -13.187 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.764 -14.356 -0.677 1.00 0.00 H new ATOM 1669 N SER A 107 -11.262 -9.141 4.563 1.00 0.00 N ATOM 1670 CA SER A 107 -12.146 -8.580 5.573 1.00 0.00 C ATOM 1671 C SER A 107 -11.886 -7.075 5.712 1.00 0.00 C ATOM 1672 O SER A 107 -12.807 -6.279 5.873 1.00 0.00 O ATOM 1673 CB SER A 107 -11.936 -9.294 6.910 1.00 0.00 C ATOM 1674 OG SER A 107 -12.150 -10.702 6.773 1.00 0.00 O ATOM 0 H SER A 107 -10.581 -9.811 4.921 1.00 0.00 H new ATOM 0 HA SER A 107 -13.182 -8.726 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.924 -9.109 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.620 -8.888 7.655 1.00 0.00 H new ATOM 0 HG SER A 107 -11.451 -11.085 6.202 1.00 0.00 H new ATOM 1680 N THR A 108 -10.626 -6.703 5.604 1.00 0.00 N ATOM 1681 CA THR A 108 -10.220 -5.323 5.673 1.00 0.00 C ATOM 1682 C THR A 108 -10.656 -4.585 4.391 1.00 0.00 C ATOM 1683 O THR A 108 -10.990 -3.400 4.416 1.00 0.00 O ATOM 1684 CB THR A 108 -8.695 -5.228 5.884 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.347 -5.994 7.063 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.263 -3.784 6.090 1.00 0.00 C ATOM 0 H THR A 108 -9.855 -7.356 5.465 1.00 0.00 H new ATOM 0 HA THR A 108 -10.706 -4.844 6.523 1.00 0.00 H new ATOM 0 HB THR A 108 -8.190 -5.618 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.446 -6.950 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.184 -3.745 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.532 -3.195 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.763 -3.376 6.968 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.679 -5.304 3.282 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.174 -4.755 2.040 1.00 0.00 C ATOM 1696 C ILE A 109 -12.664 -4.460 2.194 1.00 0.00 C ATOM 1697 O ILE A 109 -13.118 -3.366 1.891 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.937 -5.717 0.845 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.435 -5.986 0.671 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.526 -5.135 -0.435 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.102 -6.957 -0.444 1.00 0.00 C ATOM 0 H ILE A 109 -10.359 -6.271 3.220 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.627 -3.837 1.823 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.439 -6.662 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.928 -5.041 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.036 -6.375 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.350 -5.823 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.598 -4.987 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.051 -4.178 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.022 -7.091 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.577 -7.917 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.467 -6.562 -1.392 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.406 -5.438 2.714 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.842 -5.297 2.967 1.00 0.00 C ATOM 1715 C ALA A 110 -15.115 -4.158 3.954 1.00 0.00 C ATOM 1716 O ALA A 110 -16.130 -3.467 3.862 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.416 -6.607 3.488 1.00 0.00 C ATOM 0 H ALA A 110 -13.030 -6.350 2.972 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.333 -5.050 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.484 -6.489 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.260 -7.392 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.916 -6.879 4.417 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.198 -3.978 4.888 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.238 -2.888 5.862 1.00 0.00 C ATOM 1725 C LYS A 111 -14.249 -1.551 5.137 1.00 0.00 C ATOM 1726 O LYS A 111 -15.023 -0.648 5.459 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.998 -2.981 6.709 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.874 -1.980 7.841 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.558 -2.188 8.582 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.365 -1.190 9.714 1.00 0.00 C ATOM 1731 NZ LYS A 111 -12.407 -1.304 10.756 1.00 0.00 N ATOM 0 H LYS A 111 -13.390 -4.591 4.997 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.134 -2.964 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.950 -3.984 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.131 -2.868 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.922 -0.965 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.711 -2.093 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.527 -3.200 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.730 -2.100 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.385 -1.344 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.372 -0.179 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.165 -0.688 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.325 -1.015 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.465 -2.290 11.082 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.398 -1.454 4.146 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.288 -0.276 3.327 1.00 0.00 C ATOM 1747 C HIS A 112 -14.425 -0.149 2.317 1.00 0.00 C ATOM 1748 O HIS A 112 -14.751 0.948 1.886 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.941 -0.227 2.613 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.778 0.157 3.476 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.303 1.440 3.545 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.977 -0.575 4.278 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.261 1.478 4.350 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.047 0.266 4.803 1.00 0.00 N ATOM 0 H HIS A 112 -12.755 -2.201 3.883 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.362 0.574 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.742 -1.206 2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.010 0.481 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.060 -1.635 4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.682 2.356 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.302 -0.003 5.446 1.00 0.00 H new ATOM 1763 N LEU A 113 -15.042 -1.264 1.951 1.00 0.00 N ATOM 1764 CA LEU A 113 -16.099 -1.281 0.999 1.00 0.00 C ATOM 1765 C LEU A 113 -17.450 -0.933 1.610 1.00 0.00 C ATOM 1766 O LEU A 113 -18.509 -1.168 1.012 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.135 -2.620 0.354 1.00 0.00 C ATOM 1768 CG LEU A 113 -14.982 -2.976 -0.541 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -15.177 -4.360 -1.120 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -14.791 -1.943 -1.643 1.00 0.00 C ATOM 0 H LEU A 113 -14.806 -2.184 2.322 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.902 -0.509 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.199 -3.373 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.052 -2.690 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.073 -2.977 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.335 -4.606 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.238 -5.088 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.099 -4.385 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -13.949 -2.233 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.694 -1.888 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.593 -0.968 -1.197 1.00 0.00 H new