USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 42 SER OG : rot 36:sc= 1.21 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.682 K(o=1.9,f=1.2) USER MOD Single : A 1 SER N :NH3+ 133:sc= 2.61 (180deg=0.982) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.089) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0.187 (180deg=-0.0619) USER MOD Single : A 19 SER OG : rot -130:sc= 0.307 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.15) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.63) USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.522 USER MOD Single : A 53 ASN : amide:sc= 0.48 K(o=0.48,f=-5.1!) USER MOD Single : A 54 GLN : amide:sc= 0.226 K(o=0.23,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.343 0.774 -6.868 1.00 0.00 N ATOM 2 CA SER A 1 -21.148 -0.385 -6.488 1.00 0.00 C ATOM 3 C SER A 1 -20.277 -1.629 -6.541 1.00 0.00 C ATOM 4 O SER A 1 -19.733 -2.037 -5.527 1.00 0.00 O ATOM 5 CB SER A 1 -22.356 -0.475 -7.407 1.00 0.00 C ATOM 6 OG SER A 1 -22.981 0.797 -7.477 1.00 0.00 O ATOM 0 H1 SER A 1 -20.866 1.348 -7.560 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.141 1.348 -6.025 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.449 0.452 -7.290 1.00 0.00 H new ATOM 0 HA SER A 1 -21.522 -0.289 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.049 -0.798 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.059 -1.219 -7.033 1.00 0.00 H new ATOM 0 HG SER A 1 -23.760 0.747 -8.070 1.00 0.00 H new ATOM 14 N ASN A 2 -20.119 -2.210 -7.725 1.00 0.00 N ATOM 15 CA ASN A 2 -19.131 -3.252 -7.916 1.00 0.00 C ATOM 16 C ASN A 2 -17.888 -2.493 -8.231 1.00 0.00 C ATOM 17 O ASN A 2 -17.720 -2.047 -9.365 1.00 0.00 O ATOM 18 CB ASN A 2 -19.500 -4.180 -9.086 1.00 0.00 C ATOM 19 CG ASN A 2 -18.474 -5.287 -9.299 1.00 0.00 C ATOM 20 OD1 ASN A 2 -17.843 -5.746 -8.364 1.00 0.00 O ATOM 21 ND2 ASN A 2 -18.303 -5.712 -10.529 1.00 0.00 N ATOM 0 H ASN A 2 -20.660 -1.976 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 2 -19.040 -3.901 -7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -20.477 -4.626 -8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -19.589 -3.591 -9.999 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -17.625 -6.448 -10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -18.848 -5.306 -11.289 1.00 0.00 H new ATOM 28 N ALA A 3 -17.116 -2.231 -7.176 1.00 0.00 N ATOM 29 CA ALA A 3 -15.993 -1.307 -7.173 1.00 0.00 C ATOM 30 C ALA A 3 -16.539 0.121 -7.139 1.00 0.00 C ATOM 31 O ALA A 3 -17.673 0.410 -7.631 1.00 0.00 O ATOM 32 CB ALA A 3 -15.002 -1.528 -8.331 1.00 0.00 C ATOM 0 H ALA A 3 -17.265 -2.675 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.399 -1.496 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.193 -0.801 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.591 -2.536 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.520 -1.404 -9.282 1.00 0.00 H new ATOM 38 N MET A 4 -15.847 0.972 -6.480 1.00 0.00 N ATOM 39 CA MET A 4 -16.228 2.356 -6.395 1.00 0.00 C ATOM 40 C MET A 4 -15.237 3.156 -7.218 1.00 0.00 C ATOM 41 O MET A 4 -14.601 2.607 -8.118 1.00 0.00 O ATOM 42 CB MET A 4 -16.210 2.825 -4.934 1.00 0.00 C ATOM 43 CG MET A 4 -17.034 1.972 -3.971 1.00 0.00 C ATOM 44 SD MET A 4 -18.785 1.804 -4.430 1.00 0.00 S ATOM 45 CE MET A 4 -19.364 0.804 -3.053 1.00 0.00 C ATOM 0 H MET A 4 -14.991 0.740 -5.976 1.00 0.00 H new ATOM 0 HA MET A 4 -17.240 2.497 -6.776 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.177 2.843 -4.587 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.578 3.850 -4.893 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.589 0.979 -3.912 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.972 2.408 -2.974 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.429 0.603 -3.172 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.817 -0.138 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.198 1.340 -2.119 1.00 0.00 H new ATOM 55 N GLU A 5 -15.122 4.427 -6.953 1.00 0.00 N ATOM 56 CA GLU A 5 -14.146 5.237 -7.638 1.00 0.00 C ATOM 57 C GLU A 5 -12.835 5.197 -6.923 1.00 0.00 C ATOM 58 O GLU A 5 -11.762 5.082 -7.516 1.00 0.00 O ATOM 59 CB GLU A 5 -14.650 6.665 -7.993 1.00 0.00 C ATOM 60 CG GLU A 5 -15.726 7.253 -7.055 1.00 0.00 C ATOM 61 CD GLU A 5 -15.341 7.230 -5.602 1.00 0.00 C ATOM 62 OE1 GLU A 5 -14.788 8.211 -5.116 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.566 6.171 -4.958 1.00 0.00 O ATOM 0 H GLU A 5 -15.690 4.927 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.979 4.792 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.794 7.340 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.050 6.646 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.930 8.282 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.653 6.694 -7.185 1.00 0.00 H new ATOM 70 N LEU A 6 -12.965 5.244 -5.685 1.00 0.00 N ATOM 71 CA LEU A 6 -11.910 5.150 -4.731 1.00 0.00 C ATOM 72 C LEU A 6 -12.426 4.500 -3.461 1.00 0.00 C ATOM 73 O LEU A 6 -12.827 5.170 -2.513 1.00 0.00 O ATOM 74 CB LEU A 6 -11.354 6.510 -4.394 1.00 0.00 C ATOM 75 CG LEU A 6 -10.565 7.257 -5.485 1.00 0.00 C ATOM 76 CD1 LEU A 6 -10.237 8.664 -5.028 1.00 0.00 C ATOM 77 CD2 LEU A 6 -9.281 6.513 -5.828 1.00 0.00 C ATOM 0 H LEU A 6 -13.878 5.358 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.115 4.547 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.186 7.145 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.703 6.399 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.188 7.308 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.679 9.180 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.161 9.205 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.635 8.621 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.740 7.059 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.658 6.432 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.525 5.515 -6.192 1.00 0.00 H new ATOM 89 N ASP A 7 -12.405 3.204 -3.436 1.00 0.00 N ATOM 90 CA ASP A 7 -12.912 2.443 -2.302 1.00 0.00 C ATOM 91 C ASP A 7 -11.857 2.155 -1.274 1.00 0.00 C ATOM 92 O ASP A 7 -12.082 1.466 -0.283 1.00 0.00 O ATOM 93 CB ASP A 7 -13.690 1.198 -2.724 1.00 0.00 C ATOM 94 CG ASP A 7 -13.078 0.450 -3.885 1.00 0.00 C ATOM 95 OD1 ASP A 7 -13.782 0.282 -4.911 1.00 0.00 O ATOM 96 OD2 ASP A 7 -11.900 0.087 -3.812 1.00 0.00 O ATOM 0 H ASP A 7 -12.039 2.629 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.636 3.091 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.765 0.524 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.706 1.491 -2.990 1.00 0.00 H new ATOM 101 N LEU A 8 -10.756 2.762 -1.473 1.00 0.00 N ATOM 102 CA LEU A 8 -9.662 2.697 -0.567 1.00 0.00 C ATOM 103 C LEU A 8 -9.649 4.014 0.156 1.00 0.00 C ATOM 104 O LEU A 8 -9.506 5.068 -0.472 1.00 0.00 O ATOM 105 CB LEU A 8 -8.318 2.510 -1.288 1.00 0.00 C ATOM 106 CG LEU A 8 -8.100 1.250 -2.169 1.00 0.00 C ATOM 107 CD1 LEU A 8 -8.458 -0.030 -1.431 1.00 0.00 C ATOM 108 CD2 LEU A 8 -8.813 1.350 -3.518 1.00 0.00 C ATOM 0 H LEU A 8 -10.576 3.339 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.784 1.843 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.161 3.384 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.535 2.520 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.033 1.206 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.290 -0.886 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.834 -0.124 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.507 0.001 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.629 0.444 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.885 1.465 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.435 2.213 -4.066 1.00 0.00 H new ATOM 120 N GLN A 9 -9.827 3.983 1.432 1.00 0.00 N ATOM 121 CA GLN A 9 -9.917 5.192 2.189 1.00 0.00 C ATOM 122 C GLN A 9 -8.704 5.383 3.081 1.00 0.00 C ATOM 123 O GLN A 9 -8.126 4.409 3.572 1.00 0.00 O ATOM 124 CB GLN A 9 -11.201 5.245 3.006 1.00 0.00 C ATOM 125 CG GLN A 9 -12.478 5.368 2.179 1.00 0.00 C ATOM 126 CD GLN A 9 -12.534 6.670 1.387 1.00 0.00 C ATOM 127 OE1 GLN A 9 -13.003 7.682 1.885 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.087 6.648 0.157 1.00 0.00 N ATOM 0 H GLN A 9 -9.914 3.127 1.980 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.940 6.015 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.265 4.344 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.145 6.091 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.545 4.525 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.343 5.310 2.840 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.701 5.787 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.125 7.492 -0.414 1.00 0.00 H new ATOM 137 N PRO A 10 -8.304 6.640 3.284 1.00 0.00 N ATOM 138 CA PRO A 10 -7.155 6.989 4.109 1.00 0.00 C ATOM 139 C PRO A 10 -7.342 6.540 5.562 1.00 0.00 C ATOM 140 O PRO A 10 -8.303 6.928 6.223 1.00 0.00 O ATOM 141 CB PRO A 10 -7.105 8.518 4.046 1.00 0.00 C ATOM 142 CG PRO A 10 -7.965 8.908 2.891 1.00 0.00 C ATOM 143 CD PRO A 10 -8.973 7.825 2.739 1.00 0.00 C ATOM 0 HA PRO A 10 -6.244 6.506 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.472 8.959 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.083 8.870 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.449 9.867 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.371 9.017 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.889 8.053 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.251 7.682 1.695 1.00 0.00 H new ATOM 151 N GLY A 11 -6.444 5.707 6.027 1.00 0.00 N ATOM 152 CA GLY A 11 -6.492 5.230 7.377 1.00 0.00 C ATOM 153 C GLY A 11 -6.404 3.725 7.456 1.00 0.00 C ATOM 154 O GLY A 11 -5.988 3.184 8.479 1.00 0.00 O ATOM 0 H GLY A 11 -5.664 5.345 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.672 5.670 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.419 5.563 7.845 1.00 0.00 H new ATOM 158 N ASP A 12 -6.742 3.059 6.359 1.00 0.00 N ATOM 159 CA ASP A 12 -6.805 1.586 6.323 1.00 0.00 C ATOM 160 C ASP A 12 -5.415 0.972 6.347 1.00 0.00 C ATOM 161 O ASP A 12 -4.466 1.541 5.799 1.00 0.00 O ATOM 162 CB ASP A 12 -7.538 1.109 5.076 1.00 0.00 C ATOM 163 CG ASP A 12 -7.893 -0.374 5.134 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.093 -0.979 4.065 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.945 -0.937 6.258 1.00 0.00 O ATOM 0 H ASP A 12 -6.979 3.509 5.475 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.348 1.265 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.450 1.692 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.917 1.296 4.200 1.00 0.00 H new ATOM 170 N VAL A 13 -5.313 -0.188 6.927 1.00 0.00 N ATOM 171 CA VAL A 13 -4.054 -0.900 7.084 1.00 0.00 C ATOM 172 C VAL A 13 -4.109 -2.104 6.183 1.00 0.00 C ATOM 173 O VAL A 13 -4.927 -3.006 6.377 1.00 0.00 O ATOM 174 CB VAL A 13 -3.808 -1.343 8.556 1.00 0.00 C ATOM 175 CG1 VAL A 13 -2.457 -2.040 8.699 1.00 0.00 C ATOM 176 CG2 VAL A 13 -3.887 -0.147 9.499 1.00 0.00 C ATOM 0 H VAL A 13 -6.113 -0.686 7.316 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.228 -0.239 6.819 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.590 -2.052 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.310 -2.339 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.434 -2.923 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.662 -1.356 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.712 -0.479 10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.130 0.586 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.875 0.307 9.429 1.00 0.00 H new ATOM 186 N VAL A 14 -3.239 -2.136 5.217 1.00 0.00 N ATOM 187 CA VAL A 14 -3.344 -3.104 4.175 1.00 0.00 C ATOM 188 C VAL A 14 -2.038 -3.809 3.905 1.00 0.00 C ATOM 189 O VAL A 14 -0.963 -3.407 4.378 1.00 0.00 O ATOM 190 CB VAL A 14 -3.812 -2.431 2.841 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.181 -1.790 2.986 1.00 0.00 C ATOM 192 CG2 VAL A 14 -2.794 -1.392 2.355 1.00 0.00 C ATOM 0 H VAL A 14 -2.447 -1.499 5.132 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.075 -3.836 4.518 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.884 -3.223 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.471 -1.334 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.912 -2.551 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.144 -1.025 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.148 -0.943 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.676 -0.617 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.834 -1.877 2.180 1.00 0.00 H new ATOM 202 N LYS A 15 -2.157 -4.863 3.172 1.00 0.00 N ATOM 203 CA LYS A 15 -1.065 -5.551 2.594 1.00 0.00 C ATOM 204 C LYS A 15 -1.187 -5.303 1.124 1.00 0.00 C ATOM 205 O LYS A 15 -2.264 -5.502 0.529 1.00 0.00 O ATOM 206 CB LYS A 15 -1.104 -7.049 2.912 1.00 0.00 C ATOM 207 CG LYS A 15 -2.480 -7.637 2.793 1.00 0.00 C ATOM 208 CD LYS A 15 -2.540 -9.103 3.107 1.00 0.00 C ATOM 209 CE LYS A 15 -3.977 -9.553 3.014 1.00 0.00 C ATOM 210 NZ LYS A 15 -4.188 -10.983 3.288 1.00 0.00 N ATOM 0 H LYS A 15 -3.060 -5.283 2.953 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.113 -5.198 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.430 -7.576 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.732 -7.210 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.153 -7.103 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.847 -7.476 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.921 -9.666 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.147 -9.293 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.573 -8.970 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.351 -9.329 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.195 -11.214 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.622 -11.551 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.896 -11.196 4.263 1.00 0.00 H new ATOM 224 N VAL A 16 -0.166 -4.814 0.555 1.00 0.00 N ATOM 225 CA VAL A 16 -0.193 -4.471 -0.821 1.00 0.00 C ATOM 226 C VAL A 16 1.017 -5.016 -1.501 1.00 0.00 C ATOM 227 O VAL A 16 2.123 -4.926 -0.983 1.00 0.00 O ATOM 228 CB VAL A 16 -0.309 -2.931 -1.007 1.00 0.00 C ATOM 229 CG1 VAL A 16 0.781 -2.205 -0.253 1.00 0.00 C ATOM 230 CG2 VAL A 16 -0.310 -2.525 -2.475 1.00 0.00 C ATOM 0 H VAL A 16 0.723 -4.635 1.023 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.075 -4.917 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.272 -2.637 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.673 -1.131 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.702 -2.433 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.755 -2.527 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.393 -1.441 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.618 -2.853 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.156 -2.991 -2.981 1.00 0.00 H new ATOM 240 N LEU A 17 0.822 -5.626 -2.617 1.00 0.00 N ATOM 241 CA LEU A 17 1.924 -6.129 -3.347 1.00 0.00 C ATOM 242 C LEU A 17 2.517 -4.980 -4.162 1.00 0.00 C ATOM 243 O LEU A 17 2.054 -4.637 -5.256 1.00 0.00 O ATOM 244 CB LEU A 17 1.545 -7.428 -4.122 1.00 0.00 C ATOM 245 CG LEU A 17 2.629 -8.164 -4.959 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.154 -9.568 -5.285 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.940 -7.442 -6.266 1.00 0.00 C ATOM 0 H LEU A 17 -0.091 -5.787 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 17 2.727 -6.476 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.155 -8.140 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.725 -7.179 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 17 3.538 -8.188 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.915 -10.083 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.977 -10.116 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.228 -9.515 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.703 -7.995 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.035 -7.376 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.305 -6.438 -6.049 1.00 0.00 H new ATOM 259 N GLU A 18 3.467 -4.330 -3.514 1.00 0.00 N ATOM 260 CA GLU A 18 4.148 -3.137 -3.984 1.00 0.00 C ATOM 261 C GLU A 18 4.953 -3.408 -5.237 1.00 0.00 C ATOM 262 O GLU A 18 4.882 -2.683 -6.229 1.00 0.00 O ATOM 263 CB GLU A 18 5.077 -2.647 -2.865 1.00 0.00 C ATOM 264 CG GLU A 18 5.903 -1.432 -3.209 1.00 0.00 C ATOM 265 CD GLU A 18 6.811 -0.990 -2.081 1.00 0.00 C ATOM 266 OE1 GLU A 18 8.027 -1.257 -2.167 1.00 0.00 O ATOM 267 OE2 GLU A 18 6.345 -0.343 -1.137 1.00 0.00 O ATOM 0 H GLU A 18 3.801 -4.635 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 18 3.405 -2.379 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.474 -2.421 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.750 -3.459 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.507 -1.649 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.237 -0.611 -3.474 1.00 0.00 H new ATOM 274 N SER A 19 5.745 -4.420 -5.178 1.00 0.00 N ATOM 275 CA SER A 19 6.596 -4.778 -6.252 1.00 0.00 C ATOM 276 C SER A 19 6.750 -6.288 -6.270 1.00 0.00 C ATOM 277 O SER A 19 6.758 -6.914 -5.214 1.00 0.00 O ATOM 278 CB SER A 19 7.946 -4.051 -6.094 1.00 0.00 C ATOM 279 OG SER A 19 7.785 -2.637 -6.231 1.00 0.00 O ATOM 0 H SER A 19 5.819 -5.032 -4.366 1.00 0.00 H new ATOM 0 HA SER A 19 6.172 -4.473 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.374 -4.279 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.649 -4.415 -6.843 1.00 0.00 H new ATOM 0 HG SER A 19 8.443 -2.293 -6.871 1.00 0.00 H new ATOM 285 N ALA A 20 6.853 -6.864 -7.462 1.00 0.00 N ATOM 286 CA ALA A 20 6.924 -8.324 -7.642 1.00 0.00 C ATOM 287 C ALA A 20 8.139 -8.950 -6.956 1.00 0.00 C ATOM 288 O ALA A 20 8.110 -10.102 -6.581 1.00 0.00 O ATOM 289 CB ALA A 20 6.915 -8.668 -9.124 1.00 0.00 C ATOM 0 H ALA A 20 6.890 -6.339 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 20 6.042 -8.748 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.968 -9.750 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.997 -8.296 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.774 -8.205 -9.610 1.00 0.00 H new ATOM 295 N ALA A 21 9.183 -8.166 -6.769 1.00 0.00 N ATOM 296 CA ALA A 21 10.407 -8.657 -6.144 1.00 0.00 C ATOM 297 C ALA A 21 10.371 -8.462 -4.626 1.00 0.00 C ATOM 298 O ALA A 21 11.360 -8.674 -3.945 1.00 0.00 O ATOM 299 CB ALA A 21 11.614 -7.948 -6.743 1.00 0.00 C ATOM 0 H ALA A 21 9.213 -7.183 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 21 10.487 -9.726 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.524 -8.319 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.655 -8.142 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.528 -6.875 -6.571 1.00 0.00 H new ATOM 305 N LEU A 22 9.224 -8.057 -4.117 1.00 0.00 N ATOM 306 CA LEU A 22 9.054 -7.826 -2.688 1.00 0.00 C ATOM 307 C LEU A 22 7.830 -8.572 -2.188 1.00 0.00 C ATOM 308 O LEU A 22 7.861 -9.216 -1.151 1.00 0.00 O ATOM 309 CB LEU A 22 8.915 -6.323 -2.384 1.00 0.00 C ATOM 310 CG LEU A 22 10.113 -5.430 -2.744 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.796 -3.979 -2.446 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.362 -5.858 -1.979 1.00 0.00 C ATOM 0 H LEU A 22 8.388 -7.879 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 22 9.940 -8.197 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.040 -5.948 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.714 -6.209 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 22 10.308 -5.540 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.654 -3.358 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.932 -3.668 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.574 -3.866 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.195 -5.210 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.177 -5.780 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.607 -6.890 -2.231 1.00 0.00 H new ATOM 324 N GLY A 23 6.754 -8.478 -2.939 1.00 0.00 N ATOM 325 CA GLY A 23 5.547 -9.145 -2.567 1.00 0.00 C ATOM 326 C GLY A 23 4.619 -8.221 -1.830 1.00 0.00 C ATOM 327 O GLY A 23 4.645 -6.998 -2.043 1.00 0.00 O ATOM 0 H GLY A 23 6.700 -7.945 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.051 -9.528 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.782 -10.005 -1.939 1.00 0.00 H new ATOM 331 N TRP A 24 3.790 -8.803 -1.011 1.00 0.00 N ATOM 332 CA TRP A 24 2.853 -8.089 -0.177 1.00 0.00 C ATOM 333 C TRP A 24 3.578 -7.400 0.965 1.00 0.00 C ATOM 334 O TRP A 24 4.138 -8.055 1.840 1.00 0.00 O ATOM 335 CB TRP A 24 1.801 -9.063 0.370 1.00 0.00 C ATOM 336 CG TRP A 24 0.977 -9.706 -0.703 1.00 0.00 C ATOM 337 CD1 TRP A 24 1.222 -10.886 -1.347 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.216 -9.183 -1.268 1.00 0.00 C ATOM 339 NE1 TRP A 24 0.236 -11.128 -2.273 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.659 -10.091 -2.245 1.00 0.00 C ATOM 341 CE3 TRP A 24 -0.952 -8.035 -1.037 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.816 -9.871 -2.992 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -2.085 -7.819 -1.773 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.510 -8.729 -2.740 1.00 0.00 C ATOM 0 H TRP A 24 3.742 -9.816 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 24 2.355 -7.327 -0.776 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.301 -9.839 0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.142 -8.529 1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.066 -11.533 -1.156 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.180 -11.945 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.638 -7.322 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.147 -10.578 -3.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.663 -6.923 -1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.410 -8.523 -3.301 1.00 0.00 H new ATOM 355 N VAL A 25 3.581 -6.096 0.942 1.00 0.00 N ATOM 356 CA VAL A 25 4.226 -5.322 1.963 1.00 0.00 C ATOM 357 C VAL A 25 3.176 -4.695 2.850 1.00 0.00 C ATOM 358 O VAL A 25 1.997 -4.597 2.469 1.00 0.00 O ATOM 359 CB VAL A 25 5.162 -4.205 1.385 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.269 -4.805 0.528 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.374 -3.170 0.588 1.00 0.00 C ATOM 0 H VAL A 25 3.135 -5.540 0.213 1.00 0.00 H new ATOM 0 HA VAL A 25 4.859 -6.002 2.533 1.00 0.00 H new ATOM 0 HB VAL A 25 5.620 -3.698 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.902 -4.007 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.870 -5.484 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.828 -5.354 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.055 -2.412 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.868 -3.660 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.635 -2.698 1.235 1.00 0.00 H new ATOM 371 N ARG A 26 3.592 -4.297 4.009 1.00 0.00 N ATOM 372 CA ARG A 26 2.741 -3.638 4.963 1.00 0.00 C ATOM 373 C ARG A 26 2.622 -2.192 4.560 1.00 0.00 C ATOM 374 O ARG A 26 3.627 -1.544 4.256 1.00 0.00 O ATOM 375 CB ARG A 26 3.372 -3.768 6.338 1.00 0.00 C ATOM 376 CG ARG A 26 2.693 -3.012 7.465 1.00 0.00 C ATOM 377 CD ARG A 26 3.408 -3.279 8.785 1.00 0.00 C ATOM 378 NE ARG A 26 4.857 -2.987 8.715 1.00 0.00 N ATOM 379 CZ ARG A 26 5.787 -3.393 9.599 1.00 0.00 C ATOM 380 NH1 ARG A 26 5.432 -4.127 10.664 1.00 0.00 N ATOM 381 NH2 ARG A 26 7.063 -3.064 9.420 1.00 0.00 N ATOM 0 H ARG A 26 4.552 -4.421 4.331 1.00 0.00 H new ATOM 0 HA ARG A 26 1.747 -4.084 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.399 -4.825 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.406 -3.429 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.698 -1.943 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.649 -3.317 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.956 -2.671 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.264 -4.322 9.068 1.00 0.00 H new ATOM 0 HE ARG A 26 5.180 -2.428 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.454 -4.380 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.140 -4.433 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.337 -2.504 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.768 -3.372 10.090 1.00 0.00 H new ATOM 395 N ALA A 27 1.422 -1.702 4.517 1.00 0.00 N ATOM 396 CA ALA A 27 1.177 -0.351 4.110 1.00 0.00 C ATOM 397 C ALA A 27 -0.107 0.144 4.699 1.00 0.00 C ATOM 398 O ALA A 27 -0.852 -0.610 5.331 1.00 0.00 O ATOM 399 CB ALA A 27 1.127 -0.245 2.593 1.00 0.00 C ATOM 0 H ALA A 27 0.583 -2.227 4.763 1.00 0.00 H new ATOM 0 HA ALA A 27 1.997 0.268 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.940 0.790 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.079 -0.571 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.326 -0.878 2.210 1.00 0.00 H new ATOM 405 N ARG A 28 -0.360 1.389 4.504 1.00 0.00 N ATOM 406 CA ARG A 28 -1.558 2.008 4.964 1.00 0.00 C ATOM 407 C ARG A 28 -2.044 2.886 3.869 1.00 0.00 C ATOM 408 O ARG A 28 -1.231 3.575 3.239 1.00 0.00 O ATOM 409 CB ARG A 28 -1.252 2.832 6.231 1.00 0.00 C ATOM 410 CG ARG A 28 -2.441 3.583 6.821 1.00 0.00 C ATOM 411 CD ARG A 28 -2.046 4.340 8.076 1.00 0.00 C ATOM 412 NE ARG A 28 -0.986 5.337 7.811 1.00 0.00 N ATOM 413 CZ ARG A 28 -0.195 5.901 8.746 1.00 0.00 C ATOM 414 NH1 ARG A 28 -0.321 5.553 10.036 1.00 0.00 N ATOM 415 NH2 ARG A 28 0.727 6.807 8.384 1.00 0.00 N ATOM 0 H ARG A 28 0.271 2.021 4.011 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.319 1.270 5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.852 2.162 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.468 3.552 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.837 4.280 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.239 2.879 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.922 4.842 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.700 3.634 8.831 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.842 5.621 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.017 4.860 10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.279 5.982 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.828 7.068 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.326 7.235 9.090 1.00 0.00 H new ATOM 429 N VAL A 29 -3.323 2.826 3.586 1.00 0.00 N ATOM 430 CA VAL A 29 -3.914 3.722 2.633 1.00 0.00 C ATOM 431 C VAL A 29 -3.893 5.042 3.309 1.00 0.00 C ATOM 432 O VAL A 29 -4.438 5.195 4.387 1.00 0.00 O ATOM 433 CB VAL A 29 -5.365 3.339 2.282 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.903 4.246 1.180 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.474 1.876 1.869 1.00 0.00 C ATOM 0 H VAL A 29 -3.973 2.162 4.006 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.369 3.704 1.689 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.970 3.476 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.929 3.962 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.882 5.282 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.284 4.143 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.511 1.642 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.850 1.698 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.139 1.241 2.689 1.00 0.00 H new ATOM 445 N ILE A 30 -3.208 5.953 2.749 1.00 0.00 N ATOM 446 CA ILE A 30 -3.010 7.190 3.411 1.00 0.00 C ATOM 447 C ILE A 30 -3.785 8.285 2.787 1.00 0.00 C ATOM 448 O ILE A 30 -4.250 9.195 3.469 1.00 0.00 O ATOM 449 CB ILE A 30 -1.501 7.568 3.482 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.748 6.575 4.378 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.274 9.023 3.949 1.00 0.00 C ATOM 452 CD1 ILE A 30 0.681 6.961 4.681 1.00 0.00 C ATOM 0 H ILE A 30 -2.770 5.874 1.831 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.378 7.058 4.428 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.102 7.505 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.290 6.471 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.752 5.597 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.205 9.232 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.758 9.708 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.699 9.156 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.135 6.203 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.243 7.036 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.697 7.923 5.193 1.00 0.00 H new ATOM 464 N ARG A 31 -3.952 8.218 1.512 1.00 0.00 N ATOM 465 CA ARG A 31 -4.478 9.263 0.852 1.00 0.00 C ATOM 466 C ARG A 31 -5.088 8.866 -0.448 1.00 0.00 C ATOM 467 O ARG A 31 -4.764 7.847 -1.042 1.00 0.00 O ATOM 468 CB ARG A 31 -3.335 10.217 0.661 1.00 0.00 C ATOM 469 CG ARG A 31 -3.371 11.055 -0.554 1.00 0.00 C ATOM 470 CD ARG A 31 -2.506 12.282 -0.448 1.00 0.00 C ATOM 471 NE ARG A 31 -1.081 11.947 -0.151 1.00 0.00 N ATOM 472 CZ ARG A 31 -0.275 12.620 0.703 1.00 0.00 C ATOM 473 NH1 ARG A 31 -0.754 13.639 1.429 1.00 0.00 N ATOM 474 NH2 ARG A 31 1.000 12.260 0.825 1.00 0.00 N ATOM 0 H ARG A 31 -3.712 7.413 0.933 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.297 9.713 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.292 10.876 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.409 9.642 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.046 10.461 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.400 11.358 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.558 12.842 -1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.895 12.932 0.336 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.681 11.142 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.733 13.913 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.140 14.141 2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.365 11.481 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.613 12.763 1.467 1.00 0.00 H new ATOM 488 N VAL A 32 -5.966 9.677 -0.827 1.00 0.00 N ATOM 489 CA VAL A 32 -6.567 9.678 -2.093 1.00 0.00 C ATOM 490 C VAL A 32 -6.034 10.918 -2.832 1.00 0.00 C ATOM 491 O VAL A 32 -6.069 12.030 -2.307 1.00 0.00 O ATOM 492 CB VAL A 32 -8.119 9.691 -1.997 1.00 0.00 C ATOM 493 CG1 VAL A 32 -8.631 8.347 -1.493 1.00 0.00 C ATOM 494 CG2 VAL A 32 -8.625 10.810 -1.078 1.00 0.00 C ATOM 0 H VAL A 32 -6.318 10.419 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.317 8.767 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.503 9.877 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.719 8.372 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.325 7.560 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.216 8.147 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.714 10.784 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.222 10.667 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.299 11.775 -1.466 1.00 0.00 H new ATOM 504 N LYS A 33 -5.417 10.701 -3.950 1.00 0.00 N ATOM 505 CA LYS A 33 -4.890 11.781 -4.774 1.00 0.00 C ATOM 506 C LYS A 33 -5.882 12.030 -5.856 1.00 0.00 C ATOM 507 O LYS A 33 -6.991 11.505 -5.836 1.00 0.00 O ATOM 508 CB LYS A 33 -3.610 11.327 -5.478 1.00 0.00 C ATOM 509 CG LYS A 33 -2.307 12.104 -5.204 1.00 0.00 C ATOM 510 CD LYS A 33 -1.634 11.592 -3.947 1.00 0.00 C ATOM 511 CE LYS A 33 -0.405 12.429 -3.516 1.00 0.00 C ATOM 512 NZ LYS A 33 0.857 12.079 -4.228 1.00 0.00 N ATOM 0 H LYS A 33 -5.256 9.770 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.698 12.654 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.437 10.284 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.794 11.356 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.631 12.001 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.526 13.166 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.360 11.583 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.322 10.560 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.622 13.484 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.251 12.301 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.601 12.759 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.155 11.120 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.697 12.113 -5.255 1.00 0.00 H new ATOM 526 N SER A 34 -5.491 12.788 -6.809 1.00 0.00 N ATOM 527 CA SER A 34 -6.283 12.929 -7.943 1.00 0.00 C ATOM 528 C SER A 34 -5.516 12.353 -9.126 1.00 0.00 C ATOM 529 O SER A 34 -4.308 12.106 -9.015 1.00 0.00 O ATOM 530 CB SER A 34 -6.709 14.375 -8.149 1.00 0.00 C ATOM 531 OG SER A 34 -7.383 14.858 -7.001 1.00 0.00 O ATOM 0 H SER A 34 -4.620 13.319 -6.815 1.00 0.00 H new ATOM 0 HA SER A 34 -7.215 12.376 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.835 14.993 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.361 14.449 -9.019 1.00 0.00 H new ATOM 0 HG SER A 34 -7.650 15.790 -7.146 1.00 0.00 H new ATOM 537 N GLY A 35 -6.208 12.081 -10.212 1.00 0.00 N ATOM 538 CA GLY A 35 -5.556 11.519 -11.376 1.00 0.00 C ATOM 539 C GLY A 35 -5.503 10.008 -11.315 1.00 0.00 C ATOM 540 O GLY A 35 -4.876 9.375 -12.139 1.00 0.00 O ATOM 0 H GLY A 35 -7.211 12.238 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.088 11.828 -12.276 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.544 11.916 -11.453 1.00 0.00 H new ATOM 544 N GLY A 36 -6.166 9.440 -10.321 1.00 0.00 N ATOM 545 CA GLY A 36 -6.203 7.998 -10.187 1.00 0.00 C ATOM 546 C GLY A 36 -5.230 7.491 -9.150 1.00 0.00 C ATOM 547 O GLY A 36 -5.140 6.292 -8.908 1.00 0.00 O ATOM 0 H GLY A 36 -6.680 9.951 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.212 7.687 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.975 7.540 -11.150 1.00 0.00 H new ATOM 551 N ARG A 37 -4.490 8.399 -8.532 1.00 0.00 N ATOM 552 CA ARG A 37 -3.562 8.001 -7.535 1.00 0.00 C ATOM 553 C ARG A 37 -4.155 7.655 -6.208 1.00 0.00 C ATOM 554 O ARG A 37 -4.671 8.503 -5.484 1.00 0.00 O ATOM 555 CB ARG A 37 -2.420 8.919 -7.411 1.00 0.00 C ATOM 556 CG ARG A 37 -1.493 8.564 -6.273 1.00 0.00 C ATOM 557 CD ARG A 37 -0.154 8.960 -6.667 1.00 0.00 C ATOM 558 NE ARG A 37 0.892 8.822 -5.621 1.00 0.00 N ATOM 559 CZ ARG A 37 2.167 8.392 -5.846 1.00 0.00 C ATOM 560 NH1 ARG A 37 2.515 7.888 -7.033 1.00 0.00 N ATOM 561 NH2 ARG A 37 3.055 8.439 -4.869 1.00 0.00 N ATOM 0 H ARG A 37 -4.527 9.402 -8.714 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.176 7.055 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.857 8.916 -8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.791 9.933 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.792 9.077 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.532 7.495 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.142 8.365 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.183 10.000 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 37 0.638 9.067 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.825 7.822 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.471 7.569 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.786 8.795 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.010 8.119 -5.032 1.00 0.00 H new ATOM 575 N VAL A 38 -4.096 6.414 -5.906 1.00 0.00 N ATOM 576 CA VAL A 38 -4.480 5.930 -4.609 1.00 0.00 C ATOM 577 C VAL A 38 -3.194 5.798 -3.863 1.00 0.00 C ATOM 578 O VAL A 38 -2.237 5.220 -4.382 1.00 0.00 O ATOM 579 CB VAL A 38 -5.137 4.543 -4.649 1.00 0.00 C ATOM 580 CG1 VAL A 38 -5.745 4.187 -3.295 1.00 0.00 C ATOM 581 CG2 VAL A 38 -6.148 4.411 -5.777 1.00 0.00 C ATOM 0 H VAL A 38 -3.779 5.688 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.207 6.609 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.350 3.820 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.204 3.200 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.963 4.182 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.503 4.925 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.583 3.412 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.937 5.152 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.650 4.574 -6.733 1.00 0.00 H new ATOM 591 N VAL A 39 -3.134 6.337 -2.709 1.00 0.00 N ATOM 592 CA VAL A 39 -1.942 6.364 -1.979 1.00 0.00 C ATOM 593 C VAL A 39 -1.938 5.414 -0.838 1.00 0.00 C ATOM 594 O VAL A 39 -2.811 5.447 0.040 1.00 0.00 O ATOM 595 CB VAL A 39 -1.641 7.787 -1.485 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.634 7.803 -0.354 1.00 0.00 C ATOM 597 CG2 VAL A 39 -1.153 8.612 -2.624 1.00 0.00 C ATOM 0 H VAL A 39 -3.927 6.777 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.156 6.043 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.566 8.207 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.455 8.832 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.023 7.230 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.302 7.359 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.939 9.622 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.245 8.168 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.918 8.650 -3.400 1.00 0.00 H new ATOM 607 N VAL A 40 -0.948 4.609 -0.846 1.00 0.00 N ATOM 608 CA VAL A 40 -0.637 3.763 0.228 1.00 0.00 C ATOM 609 C VAL A 40 0.837 3.952 0.425 1.00 0.00 C ATOM 610 O VAL A 40 1.580 4.176 -0.553 1.00 0.00 O ATOM 611 CB VAL A 40 -0.957 2.245 -0.033 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.438 2.009 -0.265 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.166 1.700 -1.201 1.00 0.00 C ATOM 0 H VAL A 40 -0.308 4.521 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.243 4.019 1.097 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.660 1.711 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.614 0.948 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.999 2.329 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.766 2.580 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.414 0.649 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.413 2.262 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.900 1.795 -0.995 1.00 0.00 H new ATOM 623 N GLN A 41 1.252 3.961 1.615 1.00 0.00 N ATOM 624 CA GLN A 41 2.635 4.123 1.887 1.00 0.00 C ATOM 625 C GLN A 41 3.062 2.995 2.731 1.00 0.00 C ATOM 626 O GLN A 41 2.413 2.694 3.750 1.00 0.00 O ATOM 627 CB GLN A 41 2.888 5.447 2.585 1.00 0.00 C ATOM 628 CG GLN A 41 4.348 5.770 2.904 1.00 0.00 C ATOM 629 CD GLN A 41 4.494 7.109 3.605 1.00 0.00 C ATOM 630 OE1 GLN A 41 3.716 8.025 3.396 1.00 0.00 O ATOM 631 NE2 GLN A 41 5.467 7.215 4.462 1.00 0.00 N ATOM 0 H GLN A 41 0.658 3.858 2.438 1.00 0.00 H new ATOM 0 HA GLN A 41 3.206 4.132 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.488 6.246 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.323 5.457 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.764 4.984 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.927 5.779 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.101 6.430 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.596 8.083 4.982 1.00 0.00 H new ATOM 640 N SER A 42 4.079 2.329 2.301 1.00 0.00 N ATOM 641 CA SER A 42 4.622 1.253 3.072 1.00 0.00 C ATOM 642 C SER A 42 5.472 1.860 4.175 1.00 0.00 C ATOM 643 O SER A 42 5.812 3.060 4.124 1.00 0.00 O ATOM 644 CB SER A 42 5.458 0.304 2.194 1.00 0.00 C ATOM 645 OG SER A 42 5.902 -0.829 2.925 1.00 0.00 O ATOM 0 H SER A 42 4.556 2.508 1.417 1.00 0.00 H new ATOM 0 HA SER A 42 3.816 0.656 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.863 -0.023 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.319 0.840 1.795 1.00 0.00 H new ATOM 0 HG SER A 42 5.209 -1.099 3.563 1.00 0.00 H new ATOM 651 N ASP A 43 5.864 1.053 5.126 1.00 0.00 N ATOM 652 CA ASP A 43 6.670 1.516 6.253 1.00 0.00 C ATOM 653 C ASP A 43 8.102 1.783 5.835 1.00 0.00 C ATOM 654 O ASP A 43 8.902 2.306 6.594 1.00 0.00 O ATOM 655 CB ASP A 43 6.564 0.595 7.482 1.00 0.00 C ATOM 656 CG ASP A 43 6.811 -0.864 7.195 1.00 0.00 C ATOM 657 OD1 ASP A 43 5.880 -1.534 6.696 1.00 0.00 O ATOM 658 OD2 ASP A 43 7.867 -1.393 7.554 1.00 0.00 O ATOM 0 H ASP A 43 5.641 0.058 5.152 1.00 0.00 H new ATOM 0 HA ASP A 43 6.251 2.470 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.279 0.930 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.570 0.703 7.916 1.00 0.00 H new ATOM 663 N GLN A 44 8.387 1.467 4.578 1.00 0.00 N ATOM 664 CA GLN A 44 9.644 1.815 3.940 1.00 0.00 C ATOM 665 C GLN A 44 9.651 3.331 3.659 1.00 0.00 C ATOM 666 O GLN A 44 10.683 3.923 3.387 1.00 0.00 O ATOM 667 CB GLN A 44 9.772 1.090 2.598 1.00 0.00 C ATOM 668 CG GLN A 44 9.647 -0.424 2.651 1.00 0.00 C ATOM 669 CD GLN A 44 9.785 -1.033 1.271 1.00 0.00 C ATOM 670 OE1 GLN A 44 10.880 -1.376 0.843 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.688 -1.151 0.569 1.00 0.00 N ATOM 0 H GLN A 44 7.745 0.958 3.970 1.00 0.00 H new ATOM 0 HA GLN A 44 10.467 1.529 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.008 1.476 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.739 1.341 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.413 -0.832 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.682 -0.697 3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.796 -0.853 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.725 -1.541 -0.373 1.00 0.00 H new ATOM 680 N GLY A 45 8.459 3.934 3.698 1.00 0.00 N ATOM 681 CA GLY A 45 8.305 5.349 3.426 1.00 0.00 C ATOM 682 C GLY A 45 7.998 5.608 1.975 1.00 0.00 C ATOM 683 O GLY A 45 7.991 6.742 1.517 1.00 0.00 O ATOM 0 H GLY A 45 7.587 3.452 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.504 5.753 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.219 5.874 3.704 1.00 0.00 H new ATOM 687 N ARG A 46 7.725 4.555 1.262 1.00 0.00 N ATOM 688 CA ARG A 46 7.452 4.639 -0.143 1.00 0.00 C ATOM 689 C ARG A 46 5.961 4.901 -0.368 1.00 0.00 C ATOM 690 O ARG A 46 5.138 4.016 -0.131 1.00 0.00 O ATOM 691 CB ARG A 46 7.889 3.322 -0.815 1.00 0.00 C ATOM 692 CG ARG A 46 7.831 3.308 -2.339 1.00 0.00 C ATOM 693 CD ARG A 46 8.323 1.967 -2.883 1.00 0.00 C ATOM 694 NE ARG A 46 8.408 1.946 -4.368 1.00 0.00 N ATOM 695 CZ ARG A 46 8.608 0.830 -5.122 1.00 0.00 C ATOM 696 NH1 ARG A 46 8.671 -0.370 -4.561 1.00 0.00 N ATOM 697 NH2 ARG A 46 8.724 0.930 -6.452 1.00 0.00 N ATOM 0 H ARG A 46 7.685 3.609 1.641 1.00 0.00 H new ATOM 0 HA ARG A 46 8.009 5.465 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.910 3.099 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.259 2.516 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.809 3.488 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.444 4.116 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.305 1.748 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.651 1.176 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 46 8.309 2.835 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.569 -0.467 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.821 -1.196 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.663 1.843 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.874 0.093 -7.015 1.00 0.00 H new ATOM 711 N GLU A 47 5.612 6.138 -0.722 1.00 0.00 N ATOM 712 CA GLU A 47 4.240 6.455 -1.110 1.00 0.00 C ATOM 713 C GLU A 47 4.090 6.019 -2.552 1.00 0.00 C ATOM 714 O GLU A 47 4.798 6.535 -3.446 1.00 0.00 O ATOM 715 CB GLU A 47 3.928 7.984 -1.061 1.00 0.00 C ATOM 716 CG GLU A 47 2.462 8.267 -1.413 1.00 0.00 C ATOM 717 CD GLU A 47 2.083 9.705 -1.814 1.00 0.00 C ATOM 718 OE1 GLU A 47 1.778 10.531 -0.949 1.00 0.00 O ATOM 719 OE2 GLU A 47 1.966 9.986 -3.052 1.00 0.00 O ATOM 0 H GLU A 47 6.255 6.930 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 47 3.564 5.954 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.146 8.370 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.580 8.512 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.181 7.606 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.852 7.987 -0.554 1.00 0.00 H new ATOM 726 N PHE A 48 3.221 5.114 -2.808 1.00 0.00 N ATOM 727 CA PHE A 48 3.037 4.660 -4.149 1.00 0.00 C ATOM 728 C PHE A 48 1.576 4.551 -4.479 1.00 0.00 C ATOM 729 O PHE A 48 0.718 4.790 -3.625 1.00 0.00 O ATOM 730 CB PHE A 48 3.809 3.349 -4.435 1.00 0.00 C ATOM 731 CG PHE A 48 3.430 2.175 -3.579 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.881 2.079 -2.277 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.639 1.160 -4.085 1.00 0.00 C ATOM 734 CE1 PHE A 48 3.554 1.003 -1.496 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.307 0.079 -3.306 1.00 0.00 C ATOM 736 CZ PHE A 48 2.767 0.003 -2.009 1.00 0.00 C ATOM 0 H PHE A 48 2.622 4.668 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 48 3.467 5.409 -4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.656 3.079 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.874 3.540 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.501 2.864 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.279 1.218 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.914 0.942 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.688 -0.709 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.507 -0.846 -1.395 1.00 0.00 H new ATOM 746 N THR A 49 1.298 4.234 -5.707 1.00 0.00 N ATOM 747 CA THR A 49 -0.039 4.127 -6.178 1.00 0.00 C ATOM 748 C THR A 49 -0.427 2.679 -6.212 1.00 0.00 C ATOM 749 O THR A 49 0.215 1.877 -6.886 1.00 0.00 O ATOM 750 CB THR A 49 -0.132 4.728 -7.578 1.00 0.00 C ATOM 751 OG1 THR A 49 0.453 6.029 -7.518 1.00 0.00 O ATOM 752 CG2 THR A 49 -1.581 4.840 -8.029 1.00 0.00 C ATOM 0 H THR A 49 2.006 4.041 -6.415 1.00 0.00 H new ATOM 0 HA THR A 49 -0.715 4.668 -5.515 1.00 0.00 H new ATOM 0 HB THR A 49 0.388 4.090 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.559 6.382 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.618 5.271 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.035 3.849 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.129 5.480 -7.337 1.00 0.00 H new ATOM 760 N ALA A 50 -1.425 2.343 -5.472 1.00 0.00 N ATOM 761 CA ALA A 50 -1.864 0.978 -5.424 1.00 0.00 C ATOM 762 C ALA A 50 -3.203 0.807 -6.103 1.00 0.00 C ATOM 763 O ALA A 50 -4.103 1.620 -5.931 1.00 0.00 O ATOM 764 CB ALA A 50 -1.927 0.502 -4.001 1.00 0.00 C ATOM 0 H ALA A 50 -1.958 2.989 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.139 0.370 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.262 -0.535 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.938 0.574 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.628 1.121 -3.441 1.00 0.00 H new ATOM 770 N ARG A 51 -3.327 -0.239 -6.884 1.00 0.00 N ATOM 771 CA ARG A 51 -4.582 -0.552 -7.538 1.00 0.00 C ATOM 772 C ARG A 51 -5.371 -1.463 -6.636 1.00 0.00 C ATOM 773 O ARG A 51 -4.779 -2.224 -5.880 1.00 0.00 O ATOM 774 CB ARG A 51 -4.333 -1.280 -8.864 1.00 0.00 C ATOM 775 CG ARG A 51 -3.718 -0.437 -9.967 1.00 0.00 C ATOM 776 CD ARG A 51 -3.285 -1.306 -11.150 1.00 0.00 C ATOM 777 NE ARG A 51 -4.364 -2.205 -11.641 1.00 0.00 N ATOM 778 CZ ARG A 51 -4.330 -2.903 -12.794 1.00 0.00 C ATOM 779 NH1 ARG A 51 -3.327 -2.723 -13.663 1.00 0.00 N ATOM 780 NH2 ARG A 51 -5.304 -3.778 -13.070 1.00 0.00 N ATOM 0 H ARG A 51 -2.571 -0.894 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.122 0.374 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.679 -2.131 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.281 -1.680 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.439 0.308 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.857 0.106 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.958 -0.661 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.425 -1.908 -10.855 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.196 -2.301 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.585 -2.056 -13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.306 -3.253 -14.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.069 -3.915 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.282 -4.308 -13.941 1.00 0.00 H new ATOM 794 N GLY A 52 -6.693 -1.457 -6.754 1.00 0.00 N ATOM 795 CA GLY A 52 -7.547 -2.359 -5.947 1.00 0.00 C ATOM 796 C GLY A 52 -7.482 -3.819 -6.420 1.00 0.00 C ATOM 797 O GLY A 52 -8.429 -4.574 -6.316 1.00 0.00 O ATOM 0 H GLY A 52 -7.206 -0.848 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.239 -2.306 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.579 -2.012 -5.993 1.00 0.00 H new ATOM 801 N ASN A 53 -6.357 -4.173 -6.974 1.00 0.00 N ATOM 802 CA ASN A 53 -6.062 -5.508 -7.447 1.00 0.00 C ATOM 803 C ASN A 53 -4.783 -5.940 -6.768 1.00 0.00 C ATOM 804 O ASN A 53 -4.367 -7.077 -6.844 1.00 0.00 O ATOM 805 CB ASN A 53 -5.827 -5.495 -8.973 1.00 0.00 C ATOM 806 CG ASN A 53 -7.012 -4.995 -9.791 1.00 0.00 C ATOM 807 OD1 ASN A 53 -6.831 -4.388 -10.858 1.00 0.00 O ATOM 808 ND2 ASN A 53 -8.213 -5.215 -9.310 1.00 0.00 N ATOM 0 H ASN A 53 -5.587 -3.519 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.891 -6.181 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.962 -4.868 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.578 -6.505 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.034 -4.883 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.326 -5.718 -8.430 1.00 0.00 H new ATOM 815 N GLN A 54 -4.178 -4.978 -6.090 1.00 0.00 N ATOM 816 CA GLN A 54 -2.898 -5.128 -5.440 1.00 0.00 C ATOM 817 C GLN A 54 -3.049 -4.956 -3.953 1.00 0.00 C ATOM 818 O GLN A 54 -2.084 -5.088 -3.215 1.00 0.00 O ATOM 819 CB GLN A 54 -1.968 -4.021 -5.941 1.00 0.00 C ATOM 820 CG GLN A 54 -1.495 -4.159 -7.364 1.00 0.00 C ATOM 821 CD GLN A 54 -0.690 -2.954 -7.787 1.00 0.00 C ATOM 822 OE1 GLN A 54 -1.241 -1.991 -8.316 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.589 -2.967 -7.512 1.00 0.00 N ATOM 0 H GLN A 54 -4.580 -4.047 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.499 -6.118 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.483 -3.066 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.095 -3.983 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.888 -5.059 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.353 -4.278 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.008 -3.787 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.167 -2.158 -7.737 1.00 0.00 H new ATOM 832 N VAL A 55 -4.256 -4.678 -3.511 1.00 0.00 N ATOM 833 CA VAL A 55 -4.473 -4.310 -2.132 1.00 0.00 C ATOM 834 C VAL A 55 -5.469 -5.216 -1.521 1.00 0.00 C ATOM 835 O VAL A 55 -6.477 -5.566 -2.137 1.00 0.00 O ATOM 836 CB VAL A 55 -4.999 -2.849 -1.972 1.00 0.00 C ATOM 837 CG1 VAL A 55 -5.047 -2.424 -0.519 1.00 0.00 C ATOM 838 CG2 VAL A 55 -4.203 -1.860 -2.785 1.00 0.00 C ATOM 0 H VAL A 55 -5.099 -4.700 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.505 -4.387 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.018 -2.850 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.418 -1.401 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.712 -3.089 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.046 -2.475 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.609 -0.859 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.162 -1.880 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.262 -2.125 -3.841 1.00 0.00 H new ATOM 848 N ARG A 56 -5.161 -5.623 -0.348 1.00 0.00 N ATOM 849 CA ARG A 56 -5.990 -6.397 0.454 1.00 0.00 C ATOM 850 C ARG A 56 -5.833 -5.835 1.827 1.00 0.00 C ATOM 851 O ARG A 56 -4.714 -5.507 2.221 1.00 0.00 O ATOM 852 CB ARG A 56 -5.481 -7.797 0.443 1.00 0.00 C ATOM 853 CG ARG A 56 -5.455 -8.431 -0.921 1.00 0.00 C ATOM 854 CD ARG A 56 -6.804 -8.932 -1.386 1.00 0.00 C ATOM 855 NE ARG A 56 -7.386 -9.977 -0.509 1.00 0.00 N ATOM 856 CZ ARG A 56 -8.309 -10.872 -0.903 1.00 0.00 C ATOM 857 NH1 ARG A 56 -8.707 -10.909 -2.187 1.00 0.00 N ATOM 858 NH2 ARG A 56 -8.829 -11.721 -0.031 1.00 0.00 N ATOM 0 H ARG A 56 -4.267 -5.405 0.092 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.028 -6.391 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.473 -7.809 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.103 -8.403 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.079 -7.705 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.752 -9.264 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.495 -8.091 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.705 -9.331 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.064 -10.020 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.309 -10.258 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.407 -11.588 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.530 -11.698 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.529 -12.398 -0.334 1.00 0.00 H new ATOM 872 N LEU A 57 -6.897 -5.649 2.513 1.00 0.00 N ATOM 873 CA LEU A 57 -6.826 -5.175 3.886 1.00 0.00 C ATOM 874 C LEU A 57 -6.288 -6.262 4.832 1.00 0.00 C ATOM 875 O LEU A 57 -5.797 -7.302 4.375 1.00 0.00 O ATOM 876 CB LEU A 57 -8.173 -4.558 4.341 1.00 0.00 C ATOM 877 CG LEU A 57 -9.449 -5.370 4.080 1.00 0.00 C ATOM 878 CD1 LEU A 57 -9.578 -6.575 5.002 1.00 0.00 C ATOM 879 CD2 LEU A 57 -10.681 -4.486 4.157 1.00 0.00 C ATOM 0 H LEU A 57 -7.842 -5.812 2.165 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.100 -4.364 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.110 -4.366 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.283 -3.591 3.850 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.370 -5.763 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.498 -7.112 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.725 -7.238 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.603 -6.239 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.571 -5.086 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.747 -4.040 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.610 -3.697 3.409 1.00 0.00 H new ATOM 891 N ILE A 58 -6.313 -5.996 6.111 1.00 0.00 N ATOM 892 CA ILE A 58 -5.868 -6.948 7.113 1.00 0.00 C ATOM 893 C ILE A 58 -6.725 -8.227 7.155 1.00 0.00 C ATOM 894 O ILE A 58 -7.777 -8.286 7.797 1.00 0.00 O ATOM 895 CB ILE A 58 -5.714 -6.315 8.528 1.00 0.00 C ATOM 896 CG1 ILE A 58 -6.974 -5.508 8.925 1.00 0.00 C ATOM 897 CG2 ILE A 58 -4.459 -5.450 8.587 1.00 0.00 C ATOM 898 CD1 ILE A 58 -6.922 -4.911 10.320 1.00 0.00 C ATOM 0 H ILE A 58 -6.643 -5.111 6.496 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.871 -7.250 6.793 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.608 -7.122 9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.118 -4.703 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.845 -6.159 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.364 -5.014 9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.584 -6.064 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.531 -4.653 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.844 -4.363 10.516 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.812 -5.710 11.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.073 -4.231 10.393 1.00 0.00 H new ATOM 910 N GLU A 59 -6.264 -9.197 6.418 1.00 0.00 N ATOM 911 CA GLU A 59 -6.822 -10.511 6.301 1.00 0.00 C ATOM 912 C GLU A 59 -5.729 -11.371 5.716 1.00 0.00 C ATOM 913 O GLU A 59 -5.982 -12.268 4.931 1.00 0.00 O ATOM 914 CB GLU A 59 -8.140 -10.496 5.439 1.00 0.00 C ATOM 915 CG GLU A 59 -8.102 -9.776 4.054 1.00 0.00 C ATOM 916 CD GLU A 59 -7.682 -10.635 2.857 1.00 0.00 C ATOM 917 OE1 GLU A 59 -8.413 -11.567 2.502 1.00 0.00 O ATOM 918 OE2 GLU A 59 -6.674 -10.307 2.165 1.00 0.00 O ATOM 919 OXT GLU A 59 -4.537 -10.990 5.916 1.00 0.00 O ATOM 0 H GLU A 59 -5.429 -9.080 5.843 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.135 -10.914 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.440 -11.530 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.924 -10.030 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.093 -9.368 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.418 -8.930 4.126 1.00 0.00 H new TER 926 GLU A 59