USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 18 THR OG1 : rot -153:sc= -1.83 USER MOD Set 1.2: A 21 MET CE :methyl 175:sc= -1.36 (180deg=-1.49) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.57 K(o=-0.57,f=-2) USER MOD Single : A 9 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.017) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.812 USER MOD Single : A 22 MET CE :methyl -161:sc= -3.51! (180deg=-5.06!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -138:sc= -1.42 (180deg=-4.49) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -5.52 K(o=-5.5,f=-12!) USER MOD Single : A 53 THR OG1 : rot 95:sc= 0.251 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 56 MET CE :methyl -174:sc= 0 (180deg=-0.0121) USER MOD Single : A 59 MET CE :methyl 179:sc= -0.252 (180deg=-0.268) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.256) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.551 -8.913 -4.277 1.00 0.00 N ATOM 33 CA ALA A 3 -8.960 -8.100 -3.217 1.00 0.00 C ATOM 34 C ALA A 3 -8.004 -7.070 -3.809 1.00 0.00 C ATOM 35 O ALA A 3 -7.634 -7.147 -4.982 1.00 0.00 O ATOM 36 CB ALA A 3 -8.194 -8.981 -2.228 1.00 0.00 C ATOM 0 HA ALA A 3 -9.769 -7.589 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.761 -8.358 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.876 -9.704 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.398 -9.510 -2.753 1.00 0.00 H new ATOM 42 N SER A 4 -7.608 -6.104 -2.986 1.00 0.00 N ATOM 43 CA SER A 4 -6.694 -5.060 -3.437 1.00 0.00 C ATOM 44 C SER A 4 -5.549 -4.888 -2.443 1.00 0.00 C ATOM 45 O SER A 4 -5.421 -5.649 -1.484 1.00 0.00 O ATOM 46 CB SER A 4 -7.432 -3.730 -3.584 1.00 0.00 C ATOM 47 OG SER A 4 -8.648 -3.945 -4.290 1.00 0.00 O ATOM 0 H SER A 4 -7.902 -6.022 -2.013 1.00 0.00 H new ATOM 0 HA SER A 4 -6.292 -5.360 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.638 -3.304 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.810 -3.012 -4.118 1.00 0.00 H new ATOM 0 HG SER A 4 -9.126 -3.095 -4.385 1.00 0.00 H new ATOM 53 N VAL A 5 -4.717 -3.878 -2.684 1.00 0.00 N ATOM 54 CA VAL A 5 -3.582 -3.614 -1.804 1.00 0.00 C ATOM 55 C VAL A 5 -3.771 -2.289 -1.072 1.00 0.00 C ATOM 56 O VAL A 5 -3.348 -1.236 -1.547 1.00 0.00 O ATOM 57 CB VAL A 5 -2.278 -3.557 -2.607 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.088 -3.486 -1.647 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.156 -4.812 -3.474 1.00 0.00 C ATOM 0 H VAL A 5 -4.805 -3.236 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.526 -4.426 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.285 -2.673 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.161 -3.446 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.172 -2.592 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.082 -4.370 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.228 -4.771 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.151 -5.696 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.002 -4.864 -4.159 1.00 0.00 H new ATOM 69 N VAL A 6 -4.409 -2.355 0.093 1.00 0.00 N ATOM 70 CA VAL A 6 -4.646 -1.152 0.887 1.00 0.00 C ATOM 71 C VAL A 6 -3.485 -0.917 1.848 1.00 0.00 C ATOM 72 O VAL A 6 -2.807 -1.854 2.269 1.00 0.00 O ATOM 73 CB VAL A 6 -5.944 -1.282 1.688 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.260 0.046 2.380 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.090 -1.642 0.741 1.00 0.00 C ATOM 0 H VAL A 6 -4.767 -3.217 0.505 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.731 -0.307 0.204 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.827 -2.063 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.185 -0.051 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.445 0.308 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.376 0.828 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.016 -1.735 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.202 -0.859 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.870 -2.589 0.247 1.00 0.00 H new ATOM 85 N ALA A 7 -3.268 0.349 2.190 1.00 0.00 N ATOM 86 CA ALA A 7 -2.187 0.706 3.105 1.00 0.00 C ATOM 87 C ALA A 7 -2.588 0.402 4.545 1.00 0.00 C ATOM 88 O ALA A 7 -3.713 0.681 4.963 1.00 0.00 O ATOM 89 CB ALA A 7 -1.849 2.193 2.981 1.00 0.00 C ATOM 0 H ALA A 7 -3.819 1.138 1.852 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.311 0.114 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.042 2.441 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.535 2.411 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.729 2.788 3.224 1.00 0.00 H new ATOM 95 N ASN A 8 -1.657 -0.172 5.300 1.00 0.00 N ATOM 96 CA ASN A 8 -1.923 -0.510 6.696 1.00 0.00 C ATOM 97 C ASN A 8 -1.083 0.358 7.629 1.00 0.00 C ATOM 98 O ASN A 8 -0.725 -0.060 8.730 1.00 0.00 O ATOM 99 CB ASN A 8 -1.602 -1.982 6.960 1.00 0.00 C ATOM 100 CG ASN A 8 -2.149 -2.386 8.325 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.323 -2.167 8.619 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.358 -2.968 9.185 1.00 0.00 N ATOM 0 H ASN A 8 -0.721 -0.411 4.974 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.980 -0.328 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.041 -2.606 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.524 -2.142 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.714 -3.241 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.384 -3.149 8.941 1.00 0.00 H new ATOM 109 N GLN A 9 -0.775 1.572 7.177 1.00 0.00 N ATOM 110 CA GLN A 9 0.024 2.496 7.979 1.00 0.00 C ATOM 111 C GLN A 9 0.167 3.830 7.250 1.00 0.00 C ATOM 112 O GLN A 9 0.038 3.903 6.028 1.00 0.00 O ATOM 113 CB GLN A 9 1.419 1.913 8.243 1.00 0.00 C ATOM 114 CG GLN A 9 1.470 1.303 9.649 1.00 0.00 C ATOM 115 CD GLN A 9 2.830 1.582 10.281 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.609 0.662 10.527 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.166 2.812 10.560 1.00 0.00 N ATOM 0 H GLN A 9 -1.063 1.936 6.269 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.484 2.650 8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.652 1.152 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.173 2.694 8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.677 1.724 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.296 0.228 9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.521 3.576 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.074 3.010 10.981 1.00 0.00 H new ATOM 126 N LEU A 10 0.437 4.883 8.015 1.00 0.00 N ATOM 127 CA LEU A 10 0.597 6.212 7.431 1.00 0.00 C ATOM 128 C LEU A 10 1.895 6.289 6.632 1.00 0.00 C ATOM 129 O LEU A 10 2.971 6.504 7.189 1.00 0.00 O ATOM 130 CB LEU A 10 0.620 7.281 8.528 1.00 0.00 C ATOM 131 CG LEU A 10 0.584 8.671 7.890 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.754 8.873 7.176 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.745 9.734 8.978 1.00 0.00 C ATOM 0 H LEU A 10 0.549 4.845 9.028 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.249 6.393 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.234 7.153 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.517 7.172 9.137 1.00 0.00 H new ATOM 0 HG LEU A 10 1.397 8.760 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.778 9.864 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.871 8.116 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.568 8.784 7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.720 10.725 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.068 9.643 9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.698 9.592 9.487 1.00 0.00 H new ATOM 145 N ILE A 11 1.779 6.112 5.319 1.00 0.00 N ATOM 146 CA ILE A 11 2.948 6.162 4.448 1.00 0.00 C ATOM 147 C ILE A 11 3.185 7.603 3.968 1.00 0.00 C ATOM 148 O ILE A 11 2.279 8.221 3.409 1.00 0.00 O ATOM 149 CB ILE A 11 2.741 5.262 3.225 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.361 3.849 3.680 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.035 5.197 2.410 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.471 3.195 2.621 1.00 0.00 C ATOM 0 H ILE A 11 0.897 5.934 4.839 1.00 0.00 H new ATOM 0 HA ILE A 11 3.812 5.813 5.014 1.00 0.00 H new ATOM 0 HB ILE A 11 1.941 5.674 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.259 3.251 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.837 3.891 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.886 4.556 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.308 6.199 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.834 4.789 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.200 2.190 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.567 3.789 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.011 3.139 1.676 1.00 0.00 H new ATOM 164 N PRO A 12 4.392 8.166 4.172 1.00 0.00 N ATOM 165 CA PRO A 12 4.686 9.545 3.739 1.00 0.00 C ATOM 166 C PRO A 12 5.080 9.624 2.265 1.00 0.00 C ATOM 167 O PRO A 12 5.634 8.678 1.703 1.00 0.00 O ATOM 168 CB PRO A 12 5.858 9.924 4.633 1.00 0.00 C ATOM 169 CG PRO A 12 6.531 8.626 5.066 1.00 0.00 C ATOM 170 CD PRO A 12 5.531 7.489 4.836 1.00 0.00 C ATOM 0 HA PRO A 12 3.823 10.205 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.561 10.562 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.514 10.487 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.442 8.457 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.820 8.676 6.116 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.953 6.703 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.230 7.022 5.774 1.00 0.00 H new ATOM 178 N ILE A 13 4.789 10.766 1.648 1.00 0.00 N ATOM 179 CA ILE A 13 5.116 10.963 0.239 1.00 0.00 C ATOM 180 C ILE A 13 6.630 10.884 0.025 1.00 0.00 C ATOM 181 O ILE A 13 7.414 11.179 0.927 1.00 0.00 O ATOM 182 CB ILE A 13 4.585 12.322 -0.247 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.840 12.459 -1.753 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.282 13.463 0.508 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.238 13.770 -2.266 1.00 0.00 C ATOM 0 H ILE A 13 4.333 11.561 2.095 1.00 0.00 H new ATOM 0 HA ILE A 13 4.640 10.171 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 13 3.514 12.379 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.911 12.438 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.400 11.614 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.898 14.420 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.087 13.365 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.356 13.415 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.423 13.861 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.164 13.774 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.698 14.610 -1.746 1.00 0.00 H new ATOM 197 N ASN A 14 7.025 10.482 -1.181 1.00 0.00 N ATOM 198 CA ASN A 14 8.444 10.365 -1.513 1.00 0.00 C ATOM 199 C ASN A 14 9.132 9.368 -0.582 1.00 0.00 C ATOM 200 O ASN A 14 10.285 9.552 -0.191 1.00 0.00 O ATOM 201 CB ASN A 14 9.137 11.725 -1.392 1.00 0.00 C ATOM 202 CG ASN A 14 8.738 12.605 -2.572 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.264 13.726 -2.385 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.903 12.159 -3.787 1.00 0.00 N ATOM 0 H ASN A 14 6.389 10.234 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 14 8.520 10.011 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.857 12.206 -0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.219 11.594 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.639 12.739 -4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.296 11.230 -3.940 1.00 0.00 H new ATOM 211 N THR A 15 8.409 8.308 -0.233 1.00 0.00 N ATOM 212 CA THR A 15 8.957 7.284 0.653 1.00 0.00 C ATOM 213 C THR A 15 8.678 5.892 0.095 1.00 0.00 C ATOM 214 O THR A 15 7.779 5.704 -0.725 1.00 0.00 O ATOM 215 CB THR A 15 8.337 7.398 2.047 1.00 0.00 C ATOM 216 OG1 THR A 15 8.451 8.739 2.505 1.00 0.00 O ATOM 217 CG2 THR A 15 9.068 6.464 3.013 1.00 0.00 C ATOM 0 H THR A 15 7.453 8.136 -0.545 1.00 0.00 H new ATOM 0 HA THR A 15 10.034 7.437 0.721 1.00 0.00 H new ATOM 0 HB THR A 15 7.285 7.116 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.636 9.233 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.624 6.547 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.981 5.436 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.121 6.742 3.062 1.00 0.00 H new ATOM 225 N ALA A 16 9.459 4.917 0.552 1.00 0.00 N ATOM 226 CA ALA A 16 9.291 3.541 0.094 1.00 0.00 C ATOM 227 C ALA A 16 8.290 2.803 0.978 1.00 0.00 C ATOM 228 O ALA A 16 8.147 3.103 2.163 1.00 0.00 O ATOM 229 CB ALA A 16 10.629 2.799 0.128 1.00 0.00 C ATOM 0 H ALA A 16 10.207 5.052 1.232 1.00 0.00 H new ATOM 0 HA ALA A 16 8.918 3.570 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.486 1.775 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.342 3.305 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.013 2.788 1.148 1.00 0.00 H new ATOM 235 N LEU A 17 7.598 1.835 0.385 1.00 0.00 N ATOM 236 CA LEU A 17 6.609 1.056 1.126 1.00 0.00 C ATOM 237 C LEU A 17 7.259 -0.174 1.751 1.00 0.00 C ATOM 238 O LEU A 17 8.436 -0.453 1.529 1.00 0.00 O ATOM 239 CB LEU A 17 5.479 0.601 0.198 1.00 0.00 C ATOM 240 CG LEU A 17 4.903 1.810 -0.541 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.112 1.333 -1.760 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.977 2.585 0.398 1.00 0.00 C ATOM 0 H LEU A 17 7.701 1.572 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 17 6.201 1.693 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.855 -0.130 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.697 0.109 0.776 1.00 0.00 H new ATOM 0 HG LEU A 17 5.716 2.459 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.701 2.194 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.772 0.780 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.298 0.685 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.565 3.447 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.164 1.936 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.541 2.924 1.267 1.00 0.00 H new ATOM 254 N THR A 18 6.473 -0.906 2.536 1.00 0.00 N ATOM 255 CA THR A 18 6.976 -2.110 3.192 1.00 0.00 C ATOM 256 C THR A 18 5.877 -3.168 3.261 1.00 0.00 C ATOM 257 O THR A 18 4.815 -3.019 2.659 1.00 0.00 O ATOM 258 CB THR A 18 7.462 -1.793 4.609 1.00 0.00 C ATOM 259 OG1 THR A 18 6.347 -1.469 5.427 1.00 0.00 O ATOM 260 CG2 THR A 18 8.430 -0.609 4.571 1.00 0.00 C ATOM 0 H THR A 18 5.496 -0.690 2.732 1.00 0.00 H new ATOM 0 HA THR A 18 7.814 -2.490 2.607 1.00 0.00 H new ATOM 0 HB THR A 18 7.976 -2.663 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.635 -0.877 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.773 -0.387 5.581 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.286 -0.859 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.922 0.264 4.161 1.00 0.00 H new ATOM 268 N LEU A 19 6.147 -4.242 4.000 1.00 0.00 N ATOM 269 CA LEU A 19 5.172 -5.322 4.138 1.00 0.00 C ATOM 270 C LEU A 19 4.126 -4.975 5.192 1.00 0.00 C ATOM 271 O LEU A 19 2.943 -5.275 5.035 1.00 0.00 O ATOM 272 CB LEU A 19 5.870 -6.624 4.537 1.00 0.00 C ATOM 273 CG LEU A 19 6.371 -7.340 3.283 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.653 -6.668 2.788 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.661 -8.806 3.616 1.00 0.00 C ATOM 0 H LEU A 19 7.020 -4.387 4.506 1.00 0.00 H new ATOM 0 HA LEU A 19 4.680 -5.452 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.705 -6.411 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.180 -7.266 5.084 1.00 0.00 H new ATOM 0 HG LEU A 19 5.609 -7.286 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.010 -7.179 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.449 -5.624 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.415 -6.722 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.018 -9.318 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.423 -8.859 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.748 -9.286 3.969 1.00 0.00 H new ATOM 287 N VAL A 20 4.576 -4.341 6.272 1.00 0.00 N ATOM 288 CA VAL A 20 3.667 -3.960 7.353 1.00 0.00 C ATOM 289 C VAL A 20 2.660 -2.911 6.878 1.00 0.00 C ATOM 290 O VAL A 20 1.563 -2.798 7.424 1.00 0.00 O ATOM 291 CB VAL A 20 4.451 -3.399 8.542 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.346 -4.493 9.125 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.318 -2.227 8.077 1.00 0.00 C ATOM 0 H VAL A 20 5.551 -4.082 6.423 1.00 0.00 H new ATOM 0 HA VAL A 20 3.129 -4.856 7.662 1.00 0.00 H new ATOM 0 HB VAL A 20 3.753 -3.054 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.904 -4.094 9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.730 -5.328 9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.043 -4.838 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.876 -1.828 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.015 -2.571 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.681 -1.446 7.662 1.00 0.00 H new ATOM 303 N MET A 21 3.042 -2.143 5.858 1.00 0.00 N ATOM 304 CA MET A 21 2.157 -1.107 5.329 1.00 0.00 C ATOM 305 C MET A 21 1.442 -1.601 4.074 1.00 0.00 C ATOM 306 O MET A 21 1.124 -0.820 3.176 1.00 0.00 O ATOM 307 CB MET A 21 2.951 0.157 4.982 1.00 0.00 C ATOM 308 CG MET A 21 3.815 0.567 6.179 1.00 0.00 C ATOM 309 SD MET A 21 3.981 2.369 6.224 1.00 0.00 S ATOM 310 CE MET A 21 5.313 2.505 5.008 1.00 0.00 C ATOM 0 H MET A 21 3.944 -2.216 5.388 1.00 0.00 H new ATOM 0 HA MET A 21 1.422 -0.874 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.581 -0.025 4.111 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.269 0.966 4.719 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.363 0.211 7.105 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.799 0.103 6.105 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.519 3.557 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.211 2.026 5.397 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.012 2.014 4.082 1.00 0.00 H new ATOM 320 N MET A 22 1.189 -2.907 4.021 1.00 0.00 N ATOM 321 CA MET A 22 0.508 -3.494 2.871 1.00 0.00 C ATOM 322 C MET A 22 -0.295 -4.719 3.299 1.00 0.00 C ATOM 323 O MET A 22 0.237 -5.645 3.911 1.00 0.00 O ATOM 324 CB MET A 22 1.520 -3.911 1.801 1.00 0.00 C ATOM 325 CG MET A 22 1.783 -2.732 0.862 1.00 0.00 C ATOM 326 SD MET A 22 2.191 -3.351 -0.789 1.00 0.00 S ATOM 327 CE MET A 22 3.685 -4.264 -0.328 1.00 0.00 C ATOM 0 H MET A 22 1.442 -3.572 4.752 1.00 0.00 H new ATOM 0 HA MET A 22 -0.164 -2.742 2.458 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.450 -4.231 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.139 -4.762 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.904 -2.089 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.602 -2.124 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.289 -4.447 -1.217 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.262 -3.679 0.388 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.405 -5.216 0.123 1.00 0.00 H new ATOM 337 N ARG A 23 -1.584 -4.712 2.969 1.00 0.00 N ATOM 338 CA ARG A 23 -2.456 -5.829 3.325 1.00 0.00 C ATOM 339 C ARG A 23 -3.478 -6.079 2.220 1.00 0.00 C ATOM 340 O ARG A 23 -3.483 -5.400 1.193 1.00 0.00 O ATOM 341 CB ARG A 23 -3.197 -5.537 4.631 1.00 0.00 C ATOM 342 CG ARG A 23 -3.929 -4.198 4.515 1.00 0.00 C ATOM 343 CD ARG A 23 -4.811 -3.990 5.747 1.00 0.00 C ATOM 344 NE ARG A 23 -4.951 -2.568 6.047 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.108 -2.067 6.467 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.018 -1.709 5.602 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.337 -1.934 7.745 1.00 0.00 N ATOM 0 H ARG A 23 -2.044 -3.956 2.462 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.833 -6.714 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.908 -6.335 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.493 -5.508 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.209 -3.384 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.538 -4.182 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.794 -4.429 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.376 -4.506 6.603 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.148 -1.949 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.841 -1.814 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.906 -1.325 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.628 -2.215 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.225 -1.549 8.067 1.00 0.00 H new ATOM 361 N SER A 24 -4.344 -7.063 2.443 1.00 0.00 N ATOM 362 CA SER A 24 -5.370 -7.399 1.460 1.00 0.00 C ATOM 363 C SER A 24 -6.759 -7.113 2.022 1.00 0.00 C ATOM 364 O SER A 24 -7.118 -7.582 3.101 1.00 0.00 O ATOM 365 CB SER A 24 -5.283 -8.878 1.078 1.00 0.00 C ATOM 366 OG SER A 24 -3.976 -9.162 0.599 1.00 0.00 O ATOM 0 H SER A 24 -4.357 -7.637 3.286 1.00 0.00 H new ATOM 0 HA SER A 24 -5.201 -6.785 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.510 -9.503 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.022 -9.112 0.312 1.00 0.00 H new ATOM 0 HG SER A 24 -3.916 -10.109 0.355 1.00 0.00 H new ATOM 372 N GLU A 25 -7.537 -6.335 1.275 1.00 0.00 N ATOM 373 CA GLU A 25 -8.890 -5.988 1.704 1.00 0.00 C ATOM 374 C GLU A 25 -9.736 -5.567 0.508 1.00 0.00 C ATOM 375 O GLU A 25 -9.284 -4.816 -0.358 1.00 0.00 O ATOM 376 CB GLU A 25 -8.852 -4.842 2.717 1.00 0.00 C ATOM 377 CG GLU A 25 -10.241 -4.662 3.335 1.00 0.00 C ATOM 378 CD GLU A 25 -10.098 -4.181 4.775 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.397 -4.834 5.531 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.692 -3.167 5.102 1.00 0.00 O ATOM 0 H GLU A 25 -7.259 -5.936 0.379 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.333 -6.869 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.120 -5.055 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.537 -3.920 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.818 -3.942 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.788 -5.604 3.308 1.00 0.00 H new ATOM 387 N VAL A 26 -10.971 -6.060 0.469 1.00 0.00 N ATOM 388 CA VAL A 26 -11.879 -5.729 -0.627 1.00 0.00 C ATOM 389 C VAL A 26 -12.314 -4.270 -0.533 1.00 0.00 C ATOM 390 O VAL A 26 -13.031 -3.878 0.387 1.00 0.00 O ATOM 391 CB VAL A 26 -13.119 -6.625 -0.587 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.959 -6.397 -1.846 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.690 -8.093 -0.524 1.00 0.00 C ATOM 0 H VAL A 26 -11.363 -6.683 1.175 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.348 -5.891 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.711 -6.380 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.841 -7.036 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.269 -5.353 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.366 -6.639 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.574 -8.730 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.096 -8.337 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.094 -8.260 0.373 1.00 0.00 H new ATOM 403 N VAL A 27 -11.869 -3.470 -1.498 1.00 0.00 N ATOM 404 CA VAL A 27 -12.216 -2.051 -1.519 1.00 0.00 C ATOM 405 C VAL A 27 -12.431 -1.576 -2.952 1.00 0.00 C ATOM 406 O VAL A 27 -11.812 -2.083 -3.888 1.00 0.00 O ATOM 407 CB VAL A 27 -11.103 -1.219 -0.880 1.00 0.00 C ATOM 408 CG1 VAL A 27 -11.001 -1.557 0.607 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.772 -1.538 -1.566 1.00 0.00 C ATOM 0 H VAL A 27 -11.274 -3.775 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.138 -1.922 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.330 -0.159 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.208 -0.964 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.948 -1.332 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.774 -2.617 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.978 -0.946 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.547 -2.598 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.843 -1.298 -2.627 1.00 0.00 H new ATOM 419 N THR A 28 -13.315 -0.596 -3.113 1.00 0.00 N ATOM 420 CA THR A 28 -13.604 -0.056 -4.439 1.00 0.00 C ATOM 421 C THR A 28 -13.016 1.355 -4.580 1.00 0.00 C ATOM 422 O THR A 28 -12.989 2.114 -3.611 1.00 0.00 O ATOM 423 CB THR A 28 -15.115 0.006 -4.675 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.374 0.664 -5.908 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.780 0.776 -3.533 1.00 0.00 C ATOM 0 H THR A 28 -13.839 -0.163 -2.352 1.00 0.00 H new ATOM 0 HA THR A 28 -13.150 -0.715 -5.179 1.00 0.00 H new ATOM 0 HB THR A 28 -15.519 -1.006 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.341 0.703 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.856 0.820 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.581 0.270 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.377 1.788 -3.494 1.00 0.00 H new ATOM 433 N PRO A 29 -12.537 1.729 -5.781 1.00 0.00 N ATOM 434 CA PRO A 29 -12.542 0.864 -6.983 1.00 0.00 C ATOM 435 C PRO A 29 -11.392 -0.140 -6.986 1.00 0.00 C ATOM 436 O PRO A 29 -10.428 -0.005 -6.231 1.00 0.00 O ATOM 437 CB PRO A 29 -12.385 1.874 -8.111 1.00 0.00 C ATOM 438 CG PRO A 29 -11.721 3.110 -7.514 1.00 0.00 C ATOM 439 CD PRO A 29 -11.950 3.066 -5.999 1.00 0.00 C ATOM 0 HA PRO A 29 -13.439 0.249 -7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.778 1.461 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.355 2.127 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.655 3.121 -7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.147 4.018 -7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.018 3.190 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.623 3.859 -5.671 1.00 0.00 H new ATOM 447 N VAL A 30 -11.506 -1.151 -7.843 1.00 0.00 N ATOM 448 CA VAL A 30 -10.472 -2.178 -7.936 1.00 0.00 C ATOM 449 C VAL A 30 -9.140 -1.558 -8.363 1.00 0.00 C ATOM 450 O VAL A 30 -9.024 -0.982 -9.446 1.00 0.00 O ATOM 451 CB VAL A 30 -10.892 -3.267 -8.939 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.057 -2.660 -10.336 1.00 0.00 C ATOM 453 CG2 VAL A 30 -9.831 -4.372 -8.985 1.00 0.00 C ATOM 0 H VAL A 30 -12.295 -1.281 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.347 -2.632 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.843 -3.692 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.354 -3.439 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.823 -1.885 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.111 -2.224 -10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.135 -5.139 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.876 -3.947 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.726 -4.817 -7.995 1.00 0.00 H new ATOM 463 N GLY A 31 -8.138 -1.686 -7.499 1.00 0.00 N ATOM 464 CA GLY A 31 -6.815 -1.141 -7.790 1.00 0.00 C ATOM 465 C GLY A 31 -5.799 -2.264 -7.964 1.00 0.00 C ATOM 466 O GLY A 31 -6.034 -3.225 -8.697 1.00 0.00 O ATOM 0 H GLY A 31 -8.215 -2.158 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.856 -0.537 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.501 -0.481 -6.981 1.00 0.00 H new ATOM 470 N ILE A 32 -4.667 -2.136 -7.278 1.00 0.00 N ATOM 471 CA ILE A 32 -3.621 -3.149 -7.360 1.00 0.00 C ATOM 472 C ILE A 32 -4.051 -4.412 -6.598 1.00 0.00 C ATOM 473 O ILE A 32 -4.640 -4.310 -5.522 1.00 0.00 O ATOM 474 CB ILE A 32 -2.315 -2.619 -6.760 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.951 -1.292 -7.431 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.192 -3.631 -6.992 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.817 -0.618 -6.656 1.00 0.00 C ATOM 0 H ILE A 32 -4.452 -1.349 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.460 -3.392 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.445 -2.465 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.646 -1.466 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.822 -0.638 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.265 -3.250 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.450 -4.577 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.059 -3.788 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.560 0.326 -7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.138 -0.429 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.056 -1.270 -6.648 1.00 0.00 H new ATOM 489 N PRO A 33 -3.776 -5.615 -7.135 1.00 0.00 N ATOM 490 CA PRO A 33 -4.163 -6.868 -6.463 1.00 0.00 C ATOM 491 C PRO A 33 -3.177 -7.286 -5.375 1.00 0.00 C ATOM 492 O PRO A 33 -2.037 -6.824 -5.336 1.00 0.00 O ATOM 493 CB PRO A 33 -4.159 -7.869 -7.612 1.00 0.00 C ATOM 494 CG PRO A 33 -3.230 -7.314 -8.687 1.00 0.00 C ATOM 495 CD PRO A 33 -3.071 -5.813 -8.425 1.00 0.00 C ATOM 0 HA PRO A 33 -5.117 -6.784 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.814 -8.845 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.166 -8.007 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.262 -7.814 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.645 -7.488 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.022 -5.525 -8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.515 -5.216 -9.222 1.00 0.00 H new ATOM 503 N ALA A 34 -3.635 -8.169 -4.492 1.00 0.00 N ATOM 504 CA ALA A 34 -2.796 -8.654 -3.399 1.00 0.00 C ATOM 505 C ALA A 34 -1.628 -9.488 -3.930 1.00 0.00 C ATOM 506 O ALA A 34 -0.597 -9.623 -3.273 1.00 0.00 O ATOM 507 CB ALA A 34 -3.621 -9.514 -2.438 1.00 0.00 C ATOM 0 H ALA A 34 -4.576 -8.562 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.403 -7.784 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.983 -9.869 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.435 -8.919 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.033 -10.368 -2.976 1.00 0.00 H new ATOM 513 N GLU A 35 -1.799 -10.051 -5.124 1.00 0.00 N ATOM 514 CA GLU A 35 -0.751 -10.872 -5.723 1.00 0.00 C ATOM 515 C GLU A 35 0.543 -10.076 -5.921 1.00 0.00 C ATOM 516 O GLU A 35 1.615 -10.656 -6.093 1.00 0.00 O ATOM 517 CB GLU A 35 -1.208 -11.413 -7.078 1.00 0.00 C ATOM 518 CG GLU A 35 -2.520 -12.181 -6.904 1.00 0.00 C ATOM 519 CD GLU A 35 -2.699 -13.152 -8.066 1.00 0.00 C ATOM 520 OE1 GLU A 35 -2.712 -12.696 -9.198 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.822 -14.338 -7.807 1.00 0.00 O ATOM 0 H GLU A 35 -2.642 -9.955 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.556 -11.697 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.345 -10.592 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.444 -12.068 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.513 -12.725 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.358 -11.486 -6.865 1.00 0.00 H new ATOM 528 N ASP A 36 0.441 -8.745 -5.911 1.00 0.00 N ATOM 529 CA ASP A 36 1.624 -7.907 -6.109 1.00 0.00 C ATOM 530 C ASP A 36 2.018 -7.183 -4.821 1.00 0.00 C ATOM 531 O ASP A 36 2.415 -6.018 -4.841 1.00 0.00 O ATOM 532 CB ASP A 36 1.366 -6.875 -7.209 1.00 0.00 C ATOM 533 CG ASP A 36 1.430 -7.556 -8.571 1.00 0.00 C ATOM 534 OD1 ASP A 36 2.525 -7.702 -9.088 1.00 0.00 O ATOM 535 OD2 ASP A 36 0.382 -7.921 -9.079 1.00 0.00 O ATOM 0 H ASP A 36 -0.430 -8.233 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 36 2.444 -8.562 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.389 -6.413 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.107 -6.077 -7.155 1.00 0.00 H new ATOM 540 N ILE A 37 1.919 -7.889 -3.702 1.00 0.00 N ATOM 541 CA ILE A 37 2.285 -7.310 -2.411 1.00 0.00 C ATOM 542 C ILE A 37 3.799 -7.464 -2.148 1.00 0.00 C ATOM 543 O ILE A 37 4.449 -6.499 -1.744 1.00 0.00 O ATOM 544 CB ILE A 37 1.470 -7.964 -1.281 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.000 -7.582 -1.448 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.951 -7.478 0.094 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.880 -8.606 -0.729 1.00 0.00 C ATOM 0 H ILE A 37 1.592 -8.854 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 37 2.053 -6.245 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 37 1.600 -9.045 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.176 -6.586 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.259 -7.544 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.359 -7.955 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.002 -7.738 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.834 -6.396 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.928 -8.333 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.712 -9.594 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.628 -8.622 0.331 1.00 0.00 H new ATOM 559 N PRO A 38 4.391 -8.656 -2.368 1.00 0.00 N ATOM 560 CA PRO A 38 5.837 -8.848 -2.129 1.00 0.00 C ATOM 561 C PRO A 38 6.711 -8.277 -3.248 1.00 0.00 C ATOM 562 O PRO A 38 7.918 -8.103 -3.079 1.00 0.00 O ATOM 563 CB PRO A 38 5.963 -10.365 -2.063 1.00 0.00 C ATOM 564 CG PRO A 38 4.781 -10.943 -2.826 1.00 0.00 C ATOM 565 CD PRO A 38 3.691 -9.867 -2.860 1.00 0.00 C ATOM 0 HA PRO A 38 6.179 -8.329 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.904 -10.693 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.959 -10.708 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.076 -11.223 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.414 -11.847 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.299 -9.724 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.846 -10.130 -2.223 1.00 0.00 H new ATOM 573 N ARG A 39 6.093 -7.981 -4.391 1.00 0.00 N ATOM 574 CA ARG A 39 6.832 -7.425 -5.521 1.00 0.00 C ATOM 575 C ARG A 39 6.928 -5.903 -5.406 1.00 0.00 C ATOM 576 O ARG A 39 7.858 -5.288 -5.928 1.00 0.00 O ATOM 577 CB ARG A 39 6.142 -7.783 -6.838 1.00 0.00 C ATOM 578 CG ARG A 39 6.150 -9.302 -7.022 1.00 0.00 C ATOM 579 CD ARG A 39 6.251 -9.637 -8.510 1.00 0.00 C ATOM 580 NE ARG A 39 7.012 -10.869 -8.710 1.00 0.00 N ATOM 581 CZ ARG A 39 6.453 -11.935 -9.275 1.00 0.00 C ATOM 582 NH1 ARG A 39 5.692 -12.724 -8.568 1.00 0.00 N ATOM 583 NH2 ARG A 39 6.667 -12.192 -10.537 1.00 0.00 N ATOM 0 H ARG A 39 5.096 -8.115 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 39 7.835 -7.851 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.117 -7.412 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.654 -7.302 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.990 -9.740 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.242 -9.734 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.252 -9.748 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.732 -8.816 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 39 7.986 -10.912 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.526 -12.523 -7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.263 -13.542 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.263 -11.575 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.238 -13.010 -10.971 1.00 0.00 H new ATOM 597 N LEU A 40 5.955 -5.302 -4.722 1.00 0.00 N ATOM 598 CA LEU A 40 5.939 -3.851 -4.551 1.00 0.00 C ATOM 599 C LEU A 40 6.623 -3.456 -3.240 1.00 0.00 C ATOM 600 O LEU A 40 6.098 -2.659 -2.459 1.00 0.00 O ATOM 601 CB LEU A 40 4.495 -3.336 -4.543 1.00 0.00 C ATOM 602 CG LEU A 40 4.025 -3.072 -5.978 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.052 -4.376 -6.788 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.596 -2.522 -5.945 1.00 0.00 C ATOM 0 H LEU A 40 5.176 -5.791 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 40 6.481 -3.404 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.842 -4.067 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.430 -2.420 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 40 4.690 -2.348 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.717 -4.179 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.068 -4.769 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.390 -5.107 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.256 -2.332 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.937 -3.250 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.577 -1.592 -5.377 1.00 0.00 H new ATOM 616 N VAL A 41 7.804 -4.020 -3.006 1.00 0.00 N ATOM 617 CA VAL A 41 8.552 -3.717 -1.789 1.00 0.00 C ATOM 618 C VAL A 41 9.476 -2.525 -2.020 1.00 0.00 C ATOM 619 O VAL A 41 10.169 -2.445 -3.034 1.00 0.00 O ATOM 620 CB VAL A 41 9.386 -4.927 -1.355 1.00 0.00 C ATOM 621 CG1 VAL A 41 10.037 -4.645 0.002 1.00 0.00 C ATOM 622 CG2 VAL A 41 8.481 -6.155 -1.234 1.00 0.00 C ATOM 0 H VAL A 41 8.260 -4.682 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 41 7.837 -3.475 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 41 10.161 -5.114 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.629 -5.507 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.683 -3.771 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.262 -4.455 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.075 -7.015 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.706 -5.964 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.017 -6.362 -2.198 1.00 0.00 H new ATOM 632 N SER A 42 9.477 -1.600 -1.063 1.00 0.00 N ATOM 633 CA SER A 42 10.319 -0.408 -1.163 1.00 0.00 C ATOM 634 C SER A 42 9.937 0.413 -2.391 1.00 0.00 C ATOM 635 O SER A 42 10.783 1.056 -3.015 1.00 0.00 O ATOM 636 CB SER A 42 11.795 -0.798 -1.264 1.00 0.00 C ATOM 637 OG SER A 42 12.166 -1.535 -0.106 1.00 0.00 O ATOM 0 H SER A 42 8.910 -1.650 -0.216 1.00 0.00 H new ATOM 0 HA SER A 42 10.164 0.188 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.965 -1.396 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.414 0.095 -1.355 1.00 0.00 H new ATOM 0 HG SER A 42 13.111 -1.788 -0.168 1.00 0.00 H new ATOM 643 N MET A 43 8.652 0.386 -2.730 1.00 0.00 N ATOM 644 CA MET A 43 8.161 1.133 -3.886 1.00 0.00 C ATOM 645 C MET A 43 7.831 2.568 -3.488 1.00 0.00 C ATOM 646 O MET A 43 7.291 2.821 -2.412 1.00 0.00 O ATOM 647 CB MET A 43 6.908 0.472 -4.460 1.00 0.00 C ATOM 648 CG MET A 43 7.289 -0.849 -5.130 1.00 0.00 C ATOM 649 SD MET A 43 8.232 -0.509 -6.637 1.00 0.00 S ATOM 650 CE MET A 43 6.865 0.166 -7.612 1.00 0.00 C ATOM 0 H MET A 43 7.937 -0.139 -2.227 1.00 0.00 H new ATOM 0 HA MET A 43 8.945 1.136 -4.643 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.182 0.293 -3.667 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.433 1.135 -5.183 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.881 -1.458 -4.447 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.392 -1.420 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.919 -0.220 -8.630 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.917 -0.128 -7.162 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.935 1.254 -7.632 1.00 0.00 H new ATOM 660 N GLN A 44 8.164 3.506 -4.371 1.00 0.00 N ATOM 661 CA GLN A 44 7.900 4.917 -4.103 1.00 0.00 C ATOM 662 C GLN A 44 6.597 5.353 -4.767 1.00 0.00 C ATOM 663 O GLN A 44 6.256 4.898 -5.857 1.00 0.00 O ATOM 664 CB GLN A 44 9.043 5.786 -4.630 1.00 0.00 C ATOM 665 CG GLN A 44 10.141 5.885 -3.569 1.00 0.00 C ATOM 666 CD GLN A 44 11.494 6.063 -4.250 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.092 5.095 -4.720 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.017 7.256 -4.333 1.00 0.00 N ATOM 0 H GLN A 44 8.612 3.318 -5.268 1.00 0.00 H new ATOM 0 HA GLN A 44 7.817 5.043 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.447 5.357 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.673 6.780 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.944 6.726 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.148 4.986 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.522 8.058 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.921 7.386 -4.787 1.00 0.00 H new ATOM 677 N VAL A 45 5.875 6.244 -4.092 1.00 0.00 N ATOM 678 CA VAL A 45 4.608 6.743 -4.620 1.00 0.00 C ATOM 679 C VAL A 45 4.741 8.207 -5.027 1.00 0.00 C ATOM 680 O VAL A 45 5.783 8.830 -4.819 1.00 0.00 O ATOM 681 CB VAL A 45 3.504 6.617 -3.570 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.225 5.138 -3.295 1.00 0.00 C ATOM 683 CG2 VAL A 45 3.952 7.299 -2.275 1.00 0.00 C ATOM 0 H VAL A 45 6.142 6.632 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 45 4.348 6.144 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 45 2.597 7.095 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.438 5.049 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.906 4.650 -4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.132 4.659 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.165 7.210 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.860 6.821 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.150 8.353 -2.469 1.00 0.00 H new ATOM 693 N ASN A 46 3.675 8.748 -5.609 1.00 0.00 N ATOM 694 CA ASN A 46 3.685 10.143 -6.043 1.00 0.00 C ATOM 695 C ASN A 46 3.181 11.053 -4.924 1.00 0.00 C ATOM 696 O ASN A 46 3.692 12.156 -4.725 1.00 0.00 O ATOM 697 CB ASN A 46 2.802 10.331 -7.281 1.00 0.00 C ATOM 698 CG ASN A 46 1.378 9.870 -6.980 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.084 8.676 -7.011 1.00 0.00 O ATOM 700 ND2 ASN A 46 0.468 10.759 -6.690 1.00 0.00 N ATOM 0 H ASN A 46 2.803 8.250 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 46 4.712 10.409 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.798 11.379 -7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.208 9.762 -8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.487 10.464 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.712 11.749 -6.664 1.00 0.00 H new ATOM 707 N ARG A 47 2.175 10.577 -4.198 1.00 0.00 N ATOM 708 CA ARG A 47 1.606 11.354 -3.100 1.00 0.00 C ATOM 709 C ARG A 47 1.577 10.524 -1.819 1.00 0.00 C ATOM 710 O ARG A 47 2.041 9.384 -1.790 1.00 0.00 O ATOM 711 CB ARG A 47 0.182 11.800 -3.440 1.00 0.00 C ATOM 712 CG ARG A 47 -0.668 10.577 -3.803 1.00 0.00 C ATOM 713 CD ARG A 47 -2.032 11.029 -4.333 1.00 0.00 C ATOM 714 NE ARG A 47 -3.088 10.712 -3.375 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.289 11.470 -2.302 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.430 12.762 -2.432 1.00 0.00 N ATOM 717 NH2 ARG A 47 -3.345 10.924 -1.118 1.00 0.00 N ATOM 0 H ARG A 47 1.740 9.667 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 47 2.233 12.233 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.259 12.322 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.200 12.503 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.156 9.978 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.801 9.942 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.017 12.102 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.238 10.540 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.680 9.896 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.386 13.189 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.584 13.344 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.234 9.915 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.499 11.506 -0.295 1.00 0.00 H new ATOM 731 N ALA A 48 1.026 11.112 -0.760 1.00 0.00 N ATOM 732 CA ALA A 48 0.939 10.420 0.524 1.00 0.00 C ATOM 733 C ALA A 48 -0.130 9.333 0.474 1.00 0.00 C ATOM 734 O ALA A 48 -1.250 9.563 0.019 1.00 0.00 O ATOM 735 CB ALA A 48 0.596 11.406 1.642 1.00 0.00 C ATOM 0 H ALA A 48 0.637 12.055 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 48 1.909 9.966 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.535 10.873 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.371 12.170 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.363 11.878 1.429 1.00 0.00 H new ATOM 741 N VAL A 49 0.231 8.144 0.949 1.00 0.00 N ATOM 742 CA VAL A 49 -0.702 7.021 0.958 1.00 0.00 C ATOM 743 C VAL A 49 -0.992 6.583 2.399 1.00 0.00 C ATOM 744 O VAL A 49 -0.269 5.753 2.953 1.00 0.00 O ATOM 745 CB VAL A 49 -0.122 5.835 0.184 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.185 4.743 0.047 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.310 6.297 -1.209 1.00 0.00 C ATOM 0 H VAL A 49 1.154 7.934 1.329 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.627 7.346 0.481 1.00 0.00 H new ATOM 0 HB VAL A 49 0.739 5.440 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.771 3.899 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.496 4.412 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.047 5.139 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.723 5.452 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.553 6.693 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.068 7.075 -1.116 1.00 0.00 H new ATOM 757 N PRO A 50 -2.048 7.128 3.031 1.00 0.00 N ATOM 758 CA PRO A 50 -2.396 6.763 4.416 1.00 0.00 C ATOM 759 C PRO A 50 -3.171 5.451 4.500 1.00 0.00 C ATOM 760 O PRO A 50 -3.309 4.730 3.511 1.00 0.00 O ATOM 761 CB PRO A 50 -3.264 7.936 4.855 1.00 0.00 C ATOM 762 CG PRO A 50 -3.841 8.563 3.590 1.00 0.00 C ATOM 763 CD PRO A 50 -2.954 8.129 2.419 1.00 0.00 C ATOM 0 HA PRO A 50 -1.517 6.598 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.062 7.599 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.675 8.664 5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.869 8.237 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.861 9.650 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.541 7.698 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.401 8.970 2.000 1.00 0.00 H new ATOM 771 N LEU A 51 -3.675 5.150 5.693 1.00 0.00 N ATOM 772 CA LEU A 51 -4.435 3.920 5.902 1.00 0.00 C ATOM 773 C LEU A 51 -5.794 4.010 5.214 1.00 0.00 C ATOM 774 O LEU A 51 -6.378 5.087 5.097 1.00 0.00 O ATOM 775 CB LEU A 51 -4.647 3.667 7.395 1.00 0.00 C ATOM 776 CG LEU A 51 -3.293 3.451 8.074 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.773 4.784 8.614 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.456 2.462 9.231 1.00 0.00 C ATOM 0 H LEU A 51 -3.573 5.734 6.523 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.865 3.096 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.162 4.514 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.282 2.793 7.540 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.583 3.052 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.808 4.629 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.657 5.490 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.482 5.184 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.492 2.307 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.166 2.862 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.826 1.511 8.848 1.00 0.00 H new ATOM 790 N GLY A 52 -6.291 2.862 4.762 1.00 0.00 N ATOM 791 CA GLY A 52 -7.584 2.815 4.086 1.00 0.00 C ATOM 792 C GLY A 52 -7.509 3.495 2.723 1.00 0.00 C ATOM 793 O GLY A 52 -8.482 4.085 2.254 1.00 0.00 O ATOM 0 H GLY A 52 -5.823 1.960 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.897 1.778 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.339 3.305 4.701 1.00 0.00 H new ATOM 797 N THR A 53 -6.342 3.404 2.094 1.00 0.00 N ATOM 798 CA THR A 53 -6.146 4.015 0.781 1.00 0.00 C ATOM 799 C THR A 53 -5.855 2.941 -0.264 1.00 0.00 C ATOM 800 O THR A 53 -4.830 2.262 -0.208 1.00 0.00 O ATOM 801 CB THR A 53 -4.980 5.007 0.819 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.173 5.920 1.891 1.00 0.00 O ATOM 803 CG2 THR A 53 -4.915 5.775 -0.502 1.00 0.00 C ATOM 0 H THR A 53 -5.525 2.919 2.465 1.00 0.00 H new ATOM 0 HA THR A 53 -7.060 4.545 0.514 1.00 0.00 H new ATOM 0 HB THR A 53 -4.046 4.464 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.690 5.602 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.084 6.480 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.767 5.074 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.848 6.319 -0.653 1.00 0.00 H new ATOM 811 N THR A 54 -6.771 2.798 -1.217 1.00 0.00 N ATOM 812 CA THR A 54 -6.607 1.804 -2.275 1.00 0.00 C ATOM 813 C THR A 54 -5.358 2.105 -3.099 1.00 0.00 C ATOM 814 O THR A 54 -5.367 2.974 -3.970 1.00 0.00 O ATOM 815 CB THR A 54 -7.825 1.797 -3.200 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.010 1.886 -2.420 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.843 0.504 -4.016 1.00 0.00 C ATOM 0 H THR A 54 -7.626 3.351 -1.280 1.00 0.00 H new ATOM 0 HA THR A 54 -6.506 0.826 -1.804 1.00 0.00 H new ATOM 0 HB THR A 54 -7.771 2.649 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.792 1.883 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.712 0.501 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.934 0.439 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.896 -0.351 -3.342 1.00 0.00 H new ATOM 825 N LEU A 55 -4.285 1.373 -2.812 1.00 0.00 N ATOM 826 CA LEU A 55 -3.028 1.566 -3.532 1.00 0.00 C ATOM 827 C LEU A 55 -3.216 1.279 -5.019 1.00 0.00 C ATOM 828 O LEU A 55 -3.471 0.143 -5.420 1.00 0.00 O ATOM 829 CB LEU A 55 -1.947 0.634 -2.980 1.00 0.00 C ATOM 830 CG LEU A 55 -0.568 1.151 -3.390 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.172 2.323 -2.490 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.461 0.028 -3.244 1.00 0.00 C ATOM 0 H LEU A 55 -4.259 0.648 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.719 2.603 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.019 0.580 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.095 -0.377 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.600 1.484 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.811 2.691 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.904 3.124 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.140 1.991 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.445 0.396 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.491 -0.305 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.181 -0.808 -3.885 1.00 0.00 H new ATOM 844 N MET A 56 -3.088 2.324 -5.830 1.00 0.00 N ATOM 845 CA MET A 56 -3.245 2.178 -7.275 1.00 0.00 C ATOM 846 C MET A 56 -1.876 2.073 -7.955 1.00 0.00 C ATOM 847 O MET A 56 -0.865 2.484 -7.384 1.00 0.00 O ATOM 848 CB MET A 56 -3.999 3.376 -7.855 1.00 0.00 C ATOM 849 CG MET A 56 -5.505 3.107 -7.803 1.00 0.00 C ATOM 850 SD MET A 56 -6.399 4.681 -7.803 1.00 0.00 S ATOM 851 CE MET A 56 -7.608 4.254 -6.526 1.00 0.00 C ATOM 0 H MET A 56 -2.878 3.272 -5.517 1.00 0.00 H new ATOM 0 HA MET A 56 -3.813 1.267 -7.461 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.760 4.277 -7.290 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.686 3.552 -8.884 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.807 2.505 -8.660 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.753 2.536 -6.908 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.340 5.056 -6.436 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.115 3.329 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.098 4.119 -5.572 1.00 0.00 H new ATOM 861 N PRO A 57 -1.819 1.527 -9.181 1.00 0.00 N ATOM 862 CA PRO A 57 -0.548 1.385 -9.912 1.00 0.00 C ATOM 863 C PRO A 57 -0.134 2.672 -10.622 1.00 0.00 C ATOM 864 O PRO A 57 1.052 2.925 -10.839 1.00 0.00 O ATOM 865 CB PRO A 57 -0.872 0.290 -10.921 1.00 0.00 C ATOM 866 CG PRO A 57 -2.383 0.297 -11.119 1.00 0.00 C ATOM 867 CD PRO A 57 -3.002 1.016 -9.915 1.00 0.00 C ATOM 0 HA PRO A 57 0.290 1.155 -9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.359 0.472 -11.865 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.536 -0.681 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.646 0.806 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.764 -0.721 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.664 1.825 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.594 0.337 -9.301 1.00 0.00 H new ATOM 875 N ASP A 58 -1.126 3.482 -10.981 1.00 0.00 N ATOM 876 CA ASP A 58 -0.856 4.743 -11.665 1.00 0.00 C ATOM 877 C ASP A 58 -0.132 5.709 -10.734 1.00 0.00 C ATOM 878 O ASP A 58 0.701 6.506 -11.166 1.00 0.00 O ATOM 879 CB ASP A 58 -2.161 5.388 -12.135 1.00 0.00 C ATOM 880 CG ASP A 58 -3.119 5.518 -10.956 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.925 6.420 -10.157 1.00 0.00 O ATOM 882 OD2 ASP A 58 -4.033 4.714 -10.869 1.00 0.00 O ATOM 0 H ASP A 58 -2.114 3.291 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.226 4.529 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.960 6.370 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.615 4.784 -12.921 1.00 0.00 H new ATOM 887 N MET A 59 -0.458 5.627 -9.446 1.00 0.00 N ATOM 888 CA MET A 59 0.166 6.497 -8.454 1.00 0.00 C ATOM 889 C MET A 59 1.569 6.001 -8.120 1.00 0.00 C ATOM 890 O MET A 59 2.475 6.788 -7.843 1.00 0.00 O ATOM 891 CB MET A 59 -0.667 6.532 -7.172 1.00 0.00 C ATOM 892 CG MET A 59 -1.832 7.508 -7.346 1.00 0.00 C ATOM 893 SD MET A 59 -2.537 7.900 -5.726 1.00 0.00 S ATOM 894 CE MET A 59 -3.461 6.361 -5.502 1.00 0.00 C ATOM 0 H MET A 59 -1.144 4.973 -9.068 1.00 0.00 H new ATOM 0 HA MET A 59 0.224 7.500 -8.876 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.045 5.535 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.046 6.838 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.487 8.419 -7.835 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.594 7.070 -7.990 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.970 6.379 -4.538 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.198 6.260 -6.299 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.773 5.516 -5.534 1.00 0.00 H new ATOM 904 N VAL A 60 1.740 4.682 -8.151 1.00 0.00 N ATOM 905 CA VAL A 60 3.037 4.083 -7.852 1.00 0.00 C ATOM 906 C VAL A 60 3.954 4.173 -9.068 1.00 0.00 C ATOM 907 O VAL A 60 3.823 3.406 -10.022 1.00 0.00 O ATOM 908 CB VAL A 60 2.867 2.613 -7.453 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.211 2.042 -6.994 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.856 2.509 -6.308 1.00 0.00 C ATOM 0 H VAL A 60 1.004 4.013 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 60 3.483 4.631 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 60 2.508 2.047 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.085 0.997 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.933 2.113 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.573 2.609 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.735 1.464 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.217 3.079 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.896 2.911 -6.633 1.00 0.00 H new ATOM 920 N LYS A 61 4.886 5.122 -9.022 1.00 0.00 N ATOM 921 CA LYS A 61 5.825 5.310 -10.125 1.00 0.00 C ATOM 922 C LYS A 61 6.783 4.128 -10.215 1.00 0.00 C ATOM 923 O LYS A 61 7.443 3.768 -9.240 1.00 0.00 O ATOM 924 CB LYS A 61 6.634 6.594 -9.926 1.00 0.00 C ATOM 925 CG LYS A 61 5.766 7.804 -10.277 1.00 0.00 C ATOM 926 CD LYS A 61 6.655 8.940 -10.788 1.00 0.00 C ATOM 927 CE LYS A 61 5.874 9.788 -11.792 1.00 0.00 C ATOM 928 NZ LYS A 61 4.612 10.269 -11.161 1.00 0.00 N ATOM 0 H LYS A 61 5.011 5.767 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 61 5.250 5.383 -11.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.975 6.665 -8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.524 6.577 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.034 7.531 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.208 8.131 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.987 9.559 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.550 8.532 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.478 10.636 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.647 9.201 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.236 11.071 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.913 9.499 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.806 10.573 -10.185 1.00 0.00 H new ATOM 942 N GLY A 62 6.849 3.525 -11.399 1.00 0.00 N ATOM 943 CA GLY A 62 7.727 2.378 -11.611 1.00 0.00 C ATOM 944 C GLY A 62 6.913 1.097 -11.756 1.00 0.00 C ATOM 945 O GLY A 62 7.303 0.172 -12.469 1.00 0.00 O ATOM 0 H GLY A 62 6.311 3.808 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.330 2.535 -12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.418 2.283 -10.774 1.00 0.00 H new ATOM 949 N TYR A 63 5.774 1.054 -11.070 1.00 0.00 N ATOM 950 CA TYR A 63 4.903 -0.117 -11.127 1.00 0.00 C ATOM 951 C TYR A 63 4.019 -0.059 -12.370 1.00 0.00 C ATOM 952 O TYR A 63 3.666 1.018 -12.850 1.00 0.00 O ATOM 953 CB TYR A 63 4.017 -0.182 -9.880 1.00 0.00 C ATOM 954 CG TYR A 63 3.257 -1.488 -9.864 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.961 -2.722 -9.880 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.836 -1.481 -9.835 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.244 -3.949 -9.865 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.119 -2.707 -9.821 1.00 0.00 C ATOM 959 CZ TYR A 63 1.823 -3.941 -9.837 1.00 0.00 C ATOM 960 OH TYR A 63 1.127 -5.133 -9.824 1.00 0.00 O ATOM 0 H TYR A 63 5.435 1.809 -10.473 1.00 0.00 H new ATOM 0 HA TYR A 63 5.530 -1.007 -11.171 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.629 -0.095 -8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.320 0.656 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.041 -2.728 -9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.301 -0.543 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.779 -4.887 -9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.039 -2.701 -9.798 1.00 0.00 H new ATOM 0 HH TYR A 63 0.165 -4.950 -9.804 1.00 0.00 H new