USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 82 THR OG1 : rot 82:sc= 0.0546 USER MOD Set 1.2: A 83 CYS SG : rot 180:sc= -0.294 USER MOD Set 2.1: A 79 HIS : no HD1:sc= -0.905 K(o=-1.6,f=1.7) USER MOD Set 2.2: A 84 SER OG : rot 51:sc= -0.72 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 12 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.31) USER MOD Single : A 15 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.764 K(o=-0.76,f=-2.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.555! USER MOD Single : A 29 SER OG : rot 43:sc= -0.276 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.6) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.158 K(o=-0.16,f=-6.4!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.87) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 THR OG1 : rot 14:sc= 0.0521 USER MOD Single : A 61 HIS : no HE2:sc= -0.779 K(o=-0.78,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 165:sc= 0.0814 USER MOD Single : A 88 GLN : amide:sc= -3.2! C(o=-3.2!,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -3.84! (180deg=-4.46!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 60.465 -12.179 13.445 1.00 0.00 N ATOM 45 CA GLU A 4 61.756 -11.517 13.275 1.00 0.00 C ATOM 46 C GLU A 4 61.578 -10.110 12.724 1.00 0.00 C ATOM 47 O GLU A 4 60.461 -9.609 12.599 1.00 0.00 O ATOM 48 CB GLU A 4 62.626 -12.305 12.290 1.00 0.00 C ATOM 49 CG GLU A 4 63.012 -13.660 12.881 1.00 0.00 C ATOM 50 CD GLU A 4 63.894 -13.467 14.111 1.00 0.00 C ATOM 51 OE1 GLU A 4 63.980 -14.389 14.904 1.00 0.00 O ATOM 52 OE2 GLU A 4 64.467 -12.398 14.241 1.00 0.00 O1- ATOM 0 HA GLU A 4 62.233 -11.470 14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.086 -12.450 11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 4 63.525 -11.736 12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.114 -14.216 13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 4 63.541 -14.253 12.135 1.00 0.00 H new ATOM 59 N VAL A 5 62.699 -9.490 12.374 1.00 0.00 N ATOM 60 CA VAL A 5 62.685 -8.152 11.806 1.00 0.00 C ATOM 61 C VAL A 5 61.772 -8.148 10.580 1.00 0.00 C ATOM 62 O VAL A 5 61.879 -9.034 9.731 1.00 0.00 O ATOM 63 CB VAL A 5 64.125 -7.777 11.406 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.550 -8.604 10.188 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.226 -6.271 11.089 1.00 0.00 C ATOM 0 H VAL A 5 63.630 -9.895 12.475 1.00 0.00 H new ATOM 0 HA VAL A 5 62.312 -7.426 12.528 1.00 0.00 H new ATOM 0 HB VAL A 5 64.792 -7.995 12.240 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.569 -8.338 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.507 -9.665 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.877 -8.398 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.250 -6.026 10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.556 -6.027 10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.943 -5.694 11.969 1.00 0.00 H new ATOM 75 N THR A 6 60.864 -7.175 10.479 1.00 0.00 N ATOM 76 CA THR A 6 59.957 -7.148 9.320 1.00 0.00 C ATOM 77 C THR A 6 60.666 -6.519 8.140 1.00 0.00 C ATOM 78 O THR A 6 61.150 -5.403 8.243 1.00 0.00 O ATOM 79 CB THR A 6 58.690 -6.348 9.626 1.00 0.00 C ATOM 80 OG1 THR A 6 58.159 -6.760 10.877 1.00 0.00 O ATOM 81 CG2 THR A 6 57.655 -6.595 8.525 1.00 0.00 C ATOM 0 H THR A 6 60.735 -6.421 11.154 1.00 0.00 H new ATOM 0 HA THR A 6 59.671 -8.174 9.088 1.00 0.00 H new ATOM 0 HB THR A 6 58.931 -5.286 9.668 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.348 -6.246 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.751 -6.026 8.741 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.062 -6.278 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.414 -7.657 8.484 1.00 0.00 H new ATOM 89 N ILE A 7 60.742 -7.240 7.023 1.00 0.00 N ATOM 90 CA ILE A 7 61.431 -6.721 5.840 1.00 0.00 C ATOM 91 C ILE A 7 60.474 -6.356 4.718 1.00 0.00 C ATOM 92 O ILE A 7 59.781 -7.206 4.160 1.00 0.00 O ATOM 93 CB ILE A 7 62.440 -7.754 5.340 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.197 -8.319 6.550 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.421 -7.087 4.365 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.445 -9.081 6.097 1.00 0.00 C ATOM 0 H ILE A 7 60.342 -8.172 6.911 1.00 0.00 H new ATOM 0 HA ILE A 7 61.941 -5.805 6.139 1.00 0.00 H new ATOM 0 HB ILE A 7 61.927 -8.561 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 7 63.483 -7.507 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.544 -8.983 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.140 -7.826 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.871 -6.679 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.950 -6.282 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.968 -9.474 6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.152 -9.906 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 7 65.105 -8.407 5.551 1.00 0.00 H new ATOM 108 N LEU A 8 60.492 -5.072 4.375 1.00 0.00 N ATOM 109 CA LEU A 8 59.679 -4.536 3.286 1.00 0.00 C ATOM 110 C LEU A 8 60.605 -3.794 2.330 1.00 0.00 C ATOM 111 O LEU A 8 61.175 -2.760 2.681 1.00 0.00 O ATOM 112 CB LEU A 8 58.615 -3.579 3.832 1.00 0.00 C ATOM 113 CG LEU A 8 57.681 -4.317 4.801 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.750 -3.300 5.465 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.838 -5.358 4.044 1.00 0.00 C ATOM 0 H LEU A 8 61.070 -4.373 4.843 1.00 0.00 H new ATOM 0 HA LEU A 8 59.167 -5.348 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 8 59.095 -2.745 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.037 -3.159 3.009 1.00 0.00 H new ATOM 0 HG LEU A 8 58.280 -4.829 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.082 -3.815 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.343 -2.567 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.161 -2.793 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.181 -5.873 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.238 -4.857 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.498 -6.082 3.566 1.00 0.00 H new ATOM 127 N GLU A 9 60.781 -4.349 1.134 1.00 0.00 N ATOM 128 CA GLU A 9 61.676 -3.761 0.138 1.00 0.00 C ATOM 129 C GLU A 9 60.935 -3.463 -1.170 1.00 0.00 C ATOM 130 O GLU A 9 60.916 -4.293 -2.077 1.00 0.00 O ATOM 131 CB GLU A 9 62.820 -4.746 -0.132 1.00 0.00 C ATOM 132 CG GLU A 9 62.267 -6.181 -0.245 1.00 0.00 C ATOM 133 CD GLU A 9 62.173 -6.830 1.136 1.00 0.00 C ATOM 134 OE1 GLU A 9 61.167 -6.633 1.797 1.00 0.00 O ATOM 135 OE2 GLU A 9 63.110 -7.518 1.509 1.00 0.00 O1- ATOM 0 H GLU A 9 60.317 -5.205 0.830 1.00 0.00 H new ATOM 0 HA GLU A 9 62.064 -2.818 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.336 -4.473 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.554 -4.693 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 9 61.282 -6.162 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.914 -6.776 -0.890 1.00 0.00 H new ATOM 142 N PRO A 10 60.348 -2.296 -1.298 1.00 0.00 N ATOM 143 CA PRO A 10 59.626 -1.907 -2.539 1.00 0.00 C ATOM 144 C PRO A 10 60.616 -1.572 -3.658 1.00 0.00 C ATOM 145 O PRO A 10 60.229 -1.372 -4.808 1.00 0.00 O ATOM 146 CB PRO A 10 58.781 -0.672 -2.136 1.00 0.00 C ATOM 147 CG PRO A 10 59.070 -0.405 -0.677 1.00 0.00 C ATOM 148 CD PRO A 10 60.303 -1.227 -0.291 1.00 0.00 C ATOM 0 HA PRO A 10 59.000 -2.711 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.043 0.192 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.719 -0.862 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.250 0.657 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.216 -0.684 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.209 -0.621 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.213 -1.632 0.717 1.00 0.00 H new ATOM 156 N LEU A 11 61.892 -1.511 -3.293 1.00 0.00 N ATOM 157 CA LEU A 11 62.950 -1.193 -4.246 1.00 0.00 C ATOM 158 C LEU A 11 63.131 -2.328 -5.249 1.00 0.00 C ATOM 159 O LEU A 11 64.024 -3.162 -5.096 1.00 0.00 O ATOM 160 CB LEU A 11 64.266 -0.985 -3.497 1.00 0.00 C ATOM 161 CG LEU A 11 64.099 0.108 -2.436 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.377 0.185 -1.597 1.00 0.00 C ATOM 163 CD2 LEU A 11 63.822 1.475 -3.102 1.00 0.00 C ATOM 0 H LEU A 11 62.220 -1.678 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 11 62.670 -0.285 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.576 -1.917 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.053 -0.706 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 11 63.250 -0.138 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.268 0.960 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.552 -0.775 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.222 0.425 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.706 2.238 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.656 1.739 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 11 62.908 1.414 -3.692 1.00 0.00 H new ATOM 175 N GLN A 12 62.286 -2.356 -6.274 1.00 0.00 N ATOM 176 CA GLN A 12 62.376 -3.399 -7.291 1.00 0.00 C ATOM 177 C GLN A 12 63.604 -3.189 -8.176 1.00 0.00 C ATOM 178 O GLN A 12 64.471 -4.060 -8.268 1.00 0.00 O ATOM 179 CB GLN A 12 61.120 -3.387 -8.169 1.00 0.00 C ATOM 180 CG GLN A 12 59.891 -3.723 -7.321 1.00 0.00 C ATOM 181 CD GLN A 12 59.971 -5.164 -6.825 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.159 -6.086 -7.619 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.835 -5.414 -5.551 1.00 0.00 N ATOM 0 H GLN A 12 61.539 -1.677 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 12 62.463 -4.359 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 12 60.998 -2.407 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.224 -4.110 -8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 12 59.828 -3.042 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 12 58.984 -3.583 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 12 59.679 -4.649 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 12 59.884 -6.375 -5.212 1.00 0.00 H new ATOM 192 N ASP A 13 63.665 -2.029 -8.827 1.00 0.00 N ATOM 193 CA ASP A 13 64.781 -1.704 -9.715 1.00 0.00 C ATOM 194 C ASP A 13 64.643 -0.274 -10.227 1.00 0.00 C ATOM 195 O ASP A 13 63.546 0.154 -10.587 1.00 0.00 O ATOM 196 CB ASP A 13 64.792 -2.670 -10.904 1.00 0.00 C ATOM 197 CG ASP A 13 65.939 -2.336 -11.851 1.00 0.00 C ATOM 198 OD1 ASP A 13 66.593 -1.330 -11.631 1.00 0.00 O ATOM 199 OD2 ASP A 13 66.144 -3.090 -12.790 1.00 0.00 O1- ATOM 0 H ASP A 13 62.956 -1.299 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 13 65.714 -1.798 -9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.894 -3.695 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.843 -2.611 -11.437 1.00 0.00 H new ATOM 204 N VAL A 14 65.752 0.472 -10.265 1.00 0.00 N ATOM 205 CA VAL A 14 65.710 1.862 -10.747 1.00 0.00 C ATOM 206 C VAL A 14 66.899 2.176 -11.653 1.00 0.00 C ATOM 207 O VAL A 14 67.947 1.534 -11.573 1.00 0.00 O ATOM 208 CB VAL A 14 65.705 2.829 -9.560 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.435 2.620 -8.733 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.931 2.572 -8.682 1.00 0.00 C ATOM 0 H VAL A 14 66.674 0.148 -9.975 1.00 0.00 H new ATOM 0 HA VAL A 14 64.795 1.984 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 14 65.733 3.853 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.433 3.309 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.560 2.807 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.405 1.595 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.925 3.262 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 14 66.906 1.547 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.837 2.724 -9.269 1.00 0.00 H new ATOM 220 N GLN A 15 66.720 3.188 -12.509 1.00 0.00 N ATOM 221 CA GLN A 15 67.770 3.624 -13.439 1.00 0.00 C ATOM 222 C GLN A 15 68.076 5.104 -13.220 1.00 0.00 C ATOM 223 O GLN A 15 67.165 5.926 -13.119 1.00 0.00 O ATOM 224 CB GLN A 15 67.319 3.389 -14.887 1.00 0.00 C ATOM 225 CG GLN A 15 66.052 4.198 -15.177 1.00 0.00 C ATOM 226 CD GLN A 15 65.504 3.836 -16.554 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.977 2.888 -17.183 1.00 0.00 O ATOM 228 NE2 GLN A 15 64.530 4.540 -17.064 1.00 0.00 N ATOM 0 H GLN A 15 65.854 3.723 -12.578 1.00 0.00 H new ATOM 0 HA GLN A 15 68.674 3.044 -13.252 1.00 0.00 H new ATOM 0 HB2 GLN A 15 68.112 3.680 -15.576 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.129 2.328 -15.050 1.00 0.00 H new ATOM 0 HG2 GLN A 15 65.300 3.998 -14.413 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.274 5.264 -15.134 1.00 0.00 H new ATOM 0 HE21 GLN A 15 64.140 5.324 -16.542 1.00 0.00 H new ATOM 0 HE22 GLN A 15 64.159 4.306 -17.985 1.00 0.00 H new ATOM 237 N LEU A 16 69.364 5.437 -13.121 1.00 0.00 N ATOM 238 CA LEU A 16 69.784 6.822 -12.888 1.00 0.00 C ATOM 239 C LEU A 16 70.676 7.330 -14.011 1.00 0.00 C ATOM 240 O LEU A 16 71.731 6.757 -14.282 1.00 0.00 O ATOM 241 CB LEU A 16 70.572 6.899 -11.586 1.00 0.00 C ATOM 242 CG LEU A 16 69.762 6.281 -10.448 1.00 0.00 C ATOM 243 CD1 LEU A 16 70.615 6.289 -9.179 1.00 0.00 C ATOM 244 CD2 LEU A 16 68.472 7.088 -10.220 1.00 0.00 C ATOM 0 H LEU A 16 70.132 4.771 -13.198 1.00 0.00 H new ATOM 0 HA LEU A 16 68.886 7.438 -12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 16 71.521 6.374 -11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 16 70.806 7.938 -11.354 1.00 0.00 H new ATOM 0 HG LEU A 16 69.488 5.257 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 70.049 5.850 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.522 5.707 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.883 7.315 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 16 67.901 6.640 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 16 68.727 8.116 -9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 16 67.873 7.081 -11.131 1.00 0.00 H new ATOM 256 N SER A 17 70.277 8.433 -14.629 1.00 0.00 N ATOM 257 CA SER A 17 71.086 9.025 -15.680 1.00 0.00 C ATOM 258 C SER A 17 72.280 9.722 -15.040 1.00 0.00 C ATOM 259 O SER A 17 72.169 10.264 -13.942 1.00 0.00 O ATOM 260 CB SER A 17 70.267 10.031 -16.486 1.00 0.00 C ATOM 261 OG SER A 17 71.132 10.754 -17.351 1.00 0.00 O ATOM 0 H SER A 17 69.410 8.929 -14.423 1.00 0.00 H new ATOM 0 HA SER A 17 71.427 8.244 -16.359 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.503 9.514 -17.066 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.749 10.716 -15.815 1.00 0.00 H new ATOM 0 HG SER A 17 70.610 11.400 -17.871 1.00 0.00 H new ATOM 267 N GLU A 18 73.423 9.699 -15.710 1.00 0.00 N ATOM 268 CA GLU A 18 74.613 10.336 -15.159 1.00 0.00 C ATOM 269 C GLU A 18 74.360 11.824 -14.928 1.00 0.00 C ATOM 270 O GLU A 18 73.760 12.500 -15.763 1.00 0.00 O ATOM 271 CB GLU A 18 75.803 10.139 -16.108 1.00 0.00 C ATOM 272 CG GLU A 18 77.063 10.780 -15.511 1.00 0.00 C ATOM 273 CD GLU A 18 77.447 10.077 -14.218 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.137 10.691 -13.423 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.045 8.938 -14.040 1.00 0.00 O1- ATOM 0 H GLU A 18 73.553 9.255 -16.619 1.00 0.00 H new ATOM 0 HA GLU A 18 74.847 9.872 -14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.971 9.075 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.583 10.585 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.884 10.718 -16.225 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.886 11.838 -15.319 1.00 0.00 H new ATOM 282 N GLY A 19 74.832 12.324 -13.786 1.00 0.00 N ATOM 283 CA GLY A 19 74.665 13.737 -13.440 1.00 0.00 C ATOM 284 C GLY A 19 73.395 13.967 -12.625 1.00 0.00 C ATOM 285 O GLY A 19 73.098 15.097 -12.236 1.00 0.00 O ATOM 0 H GLY A 19 75.331 11.775 -13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.530 14.078 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.627 14.334 -14.351 1.00 0.00 H new ATOM 289 N GLN A 20 72.648 12.893 -12.366 1.00 0.00 N ATOM 290 CA GLN A 20 71.404 12.987 -11.590 1.00 0.00 C ATOM 291 C GLN A 20 71.533 12.234 -10.266 1.00 0.00 C ATOM 292 O GLN A 20 72.001 11.097 -10.230 1.00 0.00 O ATOM 293 CB GLN A 20 70.240 12.414 -12.404 1.00 0.00 C ATOM 294 CG GLN A 20 69.950 13.337 -13.592 1.00 0.00 C ATOM 295 CD GLN A 20 68.851 12.741 -14.464 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.257 11.722 -14.109 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.550 13.317 -15.596 1.00 0.00 N ATOM 0 H GLN A 20 72.879 11.950 -12.679 1.00 0.00 H new ATOM 0 HA GLN A 20 71.211 14.037 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.487 11.413 -12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.354 12.321 -11.777 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.646 14.320 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.856 13.479 -14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 20 69.044 14.161 -15.886 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.820 12.923 -16.190 1.00 0.00 H new ATOM 306 N ASP A 21 71.110 12.881 -9.182 1.00 0.00 N ATOM 307 CA ASP A 21 71.180 12.270 -7.858 1.00 0.00 C ATOM 308 C ASP A 21 70.034 11.283 -7.666 1.00 0.00 C ATOM 309 O ASP A 21 69.135 11.197 -8.504 1.00 0.00 O ATOM 310 CB ASP A 21 71.113 13.352 -6.775 1.00 0.00 C ATOM 311 CG ASP A 21 69.765 14.070 -6.820 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.633 15.080 -6.148 1.00 0.00 O ATOM 313 OD2 ASP A 21 68.883 13.602 -7.522 1.00 0.00 O1- ATOM 0 H ASP A 21 70.718 13.822 -9.194 1.00 0.00 H new ATOM 0 HA ASP A 21 72.126 11.735 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 21 71.260 12.902 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 21 71.920 14.071 -6.920 1.00 0.00 H new ATOM 318 N ALA A 22 70.070 10.535 -6.567 1.00 0.00 N ATOM 319 CA ALA A 22 69.022 9.555 -6.299 1.00 0.00 C ATOM 320 C ALA A 22 68.979 9.182 -4.823 1.00 0.00 C ATOM 321 O ALA A 22 69.839 9.587 -4.041 1.00 0.00 O ATOM 322 CB ALA A 22 69.262 8.300 -7.130 1.00 0.00 C ATOM 0 H ALA A 22 70.801 10.586 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 22 68.066 10.003 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 22 68.477 7.572 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 22 69.251 8.557 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 22 70.230 7.871 -6.870 1.00 0.00 H new ATOM 328 N SER A 23 67.966 8.402 -4.454 1.00 0.00 N ATOM 329 CA SER A 23 67.807 7.965 -3.073 1.00 0.00 C ATOM 330 C SER A 23 67.021 6.659 -3.013 1.00 0.00 C ATOM 331 O SER A 23 66.341 6.287 -3.969 1.00 0.00 O ATOM 332 CB SER A 23 67.078 9.039 -2.263 1.00 0.00 C ATOM 333 OG SER A 23 65.879 9.402 -2.935 1.00 0.00 O ATOM 0 H SER A 23 67.246 8.061 -5.091 1.00 0.00 H new ATOM 0 HA SER A 23 68.797 7.802 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.850 8.666 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 23 67.717 9.913 -2.138 1.00 0.00 H new ATOM 0 HG SER A 23 65.409 10.089 -2.417 1.00 0.00 H new ATOM 339 N PHE A 24 67.117 5.971 -1.879 1.00 0.00 N ATOM 340 CA PHE A 24 66.412 4.702 -1.680 1.00 0.00 C ATOM 341 C PHE A 24 65.610 4.748 -0.384 1.00 0.00 C ATOM 342 O PHE A 24 65.961 5.471 0.548 1.00 0.00 O ATOM 343 CB PHE A 24 67.413 3.546 -1.610 1.00 0.00 C ATOM 344 CG PHE A 24 68.065 3.336 -2.956 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.321 3.891 -3.230 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.413 2.571 -3.927 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.922 3.678 -4.477 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.011 2.361 -5.173 1.00 0.00 C ATOM 349 CZ PHE A 24 69.266 2.912 -5.449 1.00 0.00 C ATOM 0 H PHE A 24 67.677 6.269 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 24 65.737 4.546 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.174 3.759 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.904 2.634 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.826 4.483 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.445 2.141 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.891 4.104 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.503 1.773 -5.923 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.729 2.747 -6.411 1.00 0.00 H new ATOM 359 N GLN A 25 64.525 3.975 -0.331 1.00 0.00 N ATOM 360 CA GLN A 25 63.666 3.934 0.857 1.00 0.00 C ATOM 361 C GLN A 25 63.398 2.491 1.272 1.00 0.00 C ATOM 362 O GLN A 25 63.009 1.663 0.448 1.00 0.00 O ATOM 363 CB GLN A 25 62.337 4.632 0.551 1.00 0.00 C ATOM 364 CG GLN A 25 61.478 4.694 1.815 1.00 0.00 C ATOM 365 CD GLN A 25 60.174 5.429 1.521 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.044 6.073 0.480 1.00 0.00 O ATOM 367 NE2 GLN A 25 59.197 5.382 2.387 1.00 0.00 N ATOM 0 H GLN A 25 64.219 3.370 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 25 64.173 4.447 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.523 5.639 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.806 4.094 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.265 3.686 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.022 5.204 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 25 59.305 4.848 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 25 58.326 5.879 2.201 1.00 0.00 H new ATOM 376 N CYS A 26 63.604 2.196 2.555 1.00 0.00 N ATOM 377 CA CYS A 26 63.374 0.841 3.071 1.00 0.00 C ATOM 378 C CYS A 26 62.765 0.900 4.466 1.00 0.00 C ATOM 379 O CYS A 26 62.792 1.941 5.117 1.00 0.00 O ATOM 380 CB CYS A 26 64.689 0.060 3.124 1.00 0.00 C ATOM 381 SG CYS A 26 64.347 -1.651 3.607 1.00 0.00 S ATOM 0 H CYS A 26 63.926 2.867 3.252 1.00 0.00 H new ATOM 0 HA CYS A 26 62.682 0.334 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.180 0.085 2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.372 0.522 3.837 1.00 0.00 H new ATOM 0 HG CYS A 26 65.461 -2.320 3.651 1.00 0.00 H new ATOM 387 N ARG A 27 62.216 -0.225 4.923 1.00 0.00 N ATOM 388 CA ARG A 27 61.600 -0.279 6.255 1.00 0.00 C ATOM 389 C ARG A 27 61.906 -1.602 6.943 1.00 0.00 C ATOM 390 O ARG A 27 61.556 -2.666 6.434 1.00 0.00 O ATOM 391 CB ARG A 27 60.086 -0.115 6.136 1.00 0.00 C ATOM 392 CG ARG A 27 59.753 1.332 5.782 1.00 0.00 C ATOM 393 CD ARG A 27 58.241 1.473 5.600 1.00 0.00 C ATOM 394 NE ARG A 27 57.899 2.856 5.292 1.00 0.00 N ATOM 395 CZ ARG A 27 56.642 3.284 5.360 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.796 2.702 6.166 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 56.257 4.286 4.619 1.00 0.00 N ATOM 0 H ARG A 27 62.183 -1.101 4.402 1.00 0.00 H new ATOM 0 HA ARG A 27 62.015 0.533 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.697 -0.786 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.606 -0.390 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.100 2.000 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.270 1.623 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.901 0.819 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.727 1.157 6.508 1.00 0.00 H new ATOM 0 HE ARG A 27 58.636 3.506 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.099 1.918 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.832 3.031 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 27 56.920 4.739 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 55.293 4.617 4.669 1.00 0.00 H new ATOM 411 N LEU A 28 62.546 -1.528 8.115 1.00 0.00 N ATOM 412 CA LEU A 28 62.884 -2.737 8.879 1.00 0.00 C ATOM 413 C LEU A 28 62.354 -2.641 10.315 1.00 0.00 C ATOM 414 O LEU A 28 62.946 -1.964 11.152 1.00 0.00 O ATOM 415 CB LEU A 28 64.407 -2.921 8.909 1.00 0.00 C ATOM 416 CG LEU A 28 64.957 -3.022 7.478 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.485 -3.123 7.526 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.389 -4.268 6.775 1.00 0.00 C ATOM 0 H LEU A 28 62.838 -0.654 8.553 1.00 0.00 H new ATOM 0 HA LEU A 28 62.418 -3.593 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.872 -2.082 9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.661 -3.821 9.469 1.00 0.00 H new ATOM 0 HG LEU A 28 64.660 -2.133 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.877 -3.195 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.893 -2.236 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.773 -4.010 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.787 -4.327 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.675 -5.161 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.302 -4.199 6.734 1.00 0.00 H new ATOM 430 N SER A 29 61.246 -3.337 10.607 1.00 0.00 N ATOM 431 CA SER A 29 60.682 -3.314 11.961 1.00 0.00 C ATOM 432 C SER A 29 61.669 -3.925 12.937 1.00 0.00 C ATOM 433 O SER A 29 62.663 -4.505 12.520 1.00 0.00 O ATOM 434 CB SER A 29 59.366 -4.086 12.034 1.00 0.00 C ATOM 435 OG SER A 29 58.803 -3.912 13.327 1.00 0.00 O ATOM 0 H SER A 29 60.733 -3.911 9.938 1.00 0.00 H new ATOM 0 HA SER A 29 60.486 -2.274 12.222 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.676 -3.727 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.538 -5.144 11.837 1.00 0.00 H new ATOM 0 HG SER A 29 58.889 -2.974 13.598 1.00 0.00 H new ATOM 441 N ARG A 30 61.389 -3.791 14.232 1.00 0.00 N ATOM 442 CA ARG A 30 62.287 -4.311 15.259 1.00 0.00 C ATOM 443 C ARG A 30 62.617 -5.782 15.027 1.00 0.00 C ATOM 444 O ARG A 30 61.763 -6.576 14.632 1.00 0.00 O ATOM 445 CB ARG A 30 61.650 -4.144 16.645 1.00 0.00 C ATOM 446 CG ARG A 30 60.361 -4.974 16.739 1.00 0.00 C ATOM 447 CD ARG A 30 59.754 -4.819 18.134 1.00 0.00 C ATOM 448 NE ARG A 30 58.554 -5.639 18.247 1.00 0.00 N ATOM 449 CZ ARG A 30 57.920 -5.774 19.406 1.00 0.00 C ATOM 450 NH1 ARG A 30 57.223 -6.849 19.644 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 57.997 -4.834 20.306 1.00 0.00 N ATOM 0 H ARG A 30 60.553 -3.330 14.592 1.00 0.00 H new ATOM 0 HA ARG A 30 63.215 -3.742 15.205 1.00 0.00 H new ATOM 0 HB2 ARG A 30 62.352 -4.460 17.417 1.00 0.00 H new ATOM 0 HB3 ARG A 30 61.428 -3.092 16.827 1.00 0.00 H new ATOM 0 HG2 ARG A 30 59.648 -4.645 15.982 1.00 0.00 H new ATOM 0 HG3 ARG A 30 60.577 -6.024 16.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.480 -5.115 18.891 1.00 0.00 H new ATOM 0 HD3 ARG A 30 59.509 -3.773 18.319 1.00 0.00 H new ATOM 0 HE ARG A 30 58.195 -6.118 17.421 1.00 0.00 H new ATOM 0 HH11 ARG A 30 57.165 -7.585 18.941 1.00 0.00 H new ATOM 0 HH12 ARG A 30 56.735 -6.954 20.534 1.00 0.00 H new ATOM 0 HH21 ARG A 30 58.545 -3.994 20.120 1.00 0.00 H new ATOM 0 HH22 ARG A 30 57.510 -4.939 21.196 1.00 0.00 H new ATOM 465 N ALA A 31 63.883 -6.119 15.271 1.00 0.00 N ATOM 466 CA ALA A 31 64.383 -7.479 15.092 1.00 0.00 C ATOM 467 C ALA A 31 64.264 -8.284 16.380 1.00 0.00 C ATOM 468 O ALA A 31 63.678 -7.830 17.363 1.00 0.00 O ATOM 469 CB ALA A 31 65.846 -7.440 14.641 1.00 0.00 C ATOM 0 H ALA A 31 64.588 -5.458 15.597 1.00 0.00 H new ATOM 0 HA ALA A 31 63.776 -7.965 14.328 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.213 -8.458 14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 65.921 -6.902 13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.446 -6.933 15.396 1.00 0.00 H new ATOM 475 N SER A 32 64.832 -9.486 16.361 1.00 0.00 N ATOM 476 CA SER A 32 64.801 -10.367 17.524 1.00 0.00 C ATOM 477 C SER A 32 66.037 -11.245 17.512 1.00 0.00 C ATOM 478 O SER A 32 66.861 -11.195 18.426 1.00 0.00 O ATOM 479 CB SER A 32 63.547 -11.238 17.489 1.00 0.00 C ATOM 480 OG SER A 32 63.512 -12.055 18.651 1.00 0.00 O ATOM 0 H SER A 32 65.320 -9.873 15.553 1.00 0.00 H new ATOM 0 HA SER A 32 64.784 -9.767 18.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.656 -10.612 17.443 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.546 -11.859 16.593 1.00 0.00 H new ATOM 0 HG SER A 32 62.708 -12.615 18.633 1.00 0.00 H new ATOM 486 N GLY A 33 66.173 -12.031 16.451 1.00 0.00 N ATOM 487 CA GLY A 33 67.330 -12.896 16.308 1.00 0.00 C ATOM 488 C GLY A 33 68.551 -12.052 15.975 1.00 0.00 C ATOM 489 O GLY A 33 69.250 -11.582 16.873 1.00 0.00 O ATOM 0 H GLY A 33 65.501 -12.085 15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.499 -13.452 17.230 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.155 -13.629 15.521 1.00 0.00 H new ATOM 493 N GLN A 34 68.794 -11.846 14.677 1.00 0.00 N ATOM 494 CA GLN A 34 69.930 -11.036 14.228 1.00 0.00 C ATOM 495 C GLN A 34 69.463 -9.886 13.336 1.00 0.00 C ATOM 496 O GLN A 34 68.525 -10.034 12.551 1.00 0.00 O ATOM 497 CB GLN A 34 70.930 -11.917 13.472 1.00 0.00 C ATOM 498 CG GLN A 34 71.551 -12.933 14.436 1.00 0.00 C ATOM 499 CD GLN A 34 72.464 -13.887 13.673 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.115 -14.349 12.586 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.620 -14.216 14.183 1.00 0.00 N ATOM 0 H GLN A 34 68.223 -12.227 13.923 1.00 0.00 H new ATOM 0 HA GLN A 34 70.417 -10.609 15.105 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.428 -12.435 12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.710 -11.299 13.026 1.00 0.00 H new ATOM 0 HG2 GLN A 34 72.118 -12.414 15.208 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.765 -13.495 14.941 1.00 0.00 H new ATOM 0 HE21 GLN A 34 73.908 -13.833 15.083 1.00 0.00 H new ATOM 0 HE22 GLN A 34 74.235 -14.856 13.681 1.00 0.00 H new ATOM 510 N GLU A 35 70.123 -8.739 13.471 1.00 0.00 N ATOM 511 CA GLU A 35 69.777 -7.556 12.686 1.00 0.00 C ATOM 512 C GLU A 35 70.351 -7.640 11.271 1.00 0.00 C ATOM 513 O GLU A 35 71.390 -8.261 11.045 1.00 0.00 O ATOM 514 CB GLU A 35 70.324 -6.303 13.381 1.00 0.00 C ATOM 515 CG GLU A 35 69.877 -5.050 12.623 1.00 0.00 C ATOM 516 CD GLU A 35 70.364 -3.799 13.348 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.200 -3.934 14.225 1.00 0.00 O ATOM 518 OE2 GLU A 35 69.893 -2.724 13.015 1.00 0.00 O1- ATOM 0 H GLU A 35 70.901 -8.603 14.117 1.00 0.00 H new ATOM 0 HA GLU A 35 68.691 -7.503 12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 69.968 -6.263 14.410 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.412 -6.345 13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 70.273 -5.069 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 35 68.790 -5.033 12.541 1.00 0.00 H new ATOM 525 N ALA A 36 69.668 -6.996 10.327 1.00 0.00 N ATOM 526 CA ALA A 36 70.108 -6.978 8.933 1.00 0.00 C ATOM 527 C ALA A 36 71.333 -6.079 8.772 1.00 0.00 C ATOM 528 O ALA A 36 71.554 -5.175 9.577 1.00 0.00 O ATOM 529 CB ALA A 36 68.978 -6.457 8.039 1.00 0.00 C ATOM 0 H ALA A 36 68.806 -6.479 10.502 1.00 0.00 H new ATOM 0 HA ALA A 36 70.371 -7.994 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.311 -6.446 7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.109 -7.108 8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.709 -5.446 8.345 1.00 0.00 H new ATOM 535 N ARG A 37 72.135 -6.334 7.730 1.00 0.00 N ATOM 536 CA ARG A 37 73.347 -5.540 7.481 1.00 0.00 C ATOM 537 C ARG A 37 73.352 -4.963 6.065 1.00 0.00 C ATOM 538 O ARG A 37 73.080 -5.663 5.091 1.00 0.00 O ATOM 539 CB ARG A 37 74.592 -6.417 7.677 1.00 0.00 C ATOM 540 CG ARG A 37 74.694 -6.886 9.147 1.00 0.00 C ATOM 541 CD ARG A 37 73.991 -8.238 9.334 1.00 0.00 C ATOM 542 NE ARG A 37 74.027 -8.628 10.741 1.00 0.00 N ATOM 543 CZ ARG A 37 75.062 -9.292 11.245 1.00 0.00 C ATOM 544 NH1 ARG A 37 74.910 -10.519 11.664 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.230 -8.714 11.320 1.00 0.00 N ATOM 0 H ARG A 37 71.970 -7.077 7.051 1.00 0.00 H new ATOM 0 HA ARG A 37 73.359 -4.712 8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.544 -7.282 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.486 -5.857 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.742 -6.972 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.243 -6.142 9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 37 72.958 -8.171 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 37 74.479 -8.999 8.724 1.00 0.00 H new ATOM 0 HE ARG A 37 73.244 -8.386 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 37 73.996 -10.969 11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 37 75.705 -11.028 12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.347 -7.755 10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.026 -9.221 11.706 1.00 0.00 H new ATOM 559 N TRP A 38 73.678 -3.675 5.970 1.00 0.00 N ATOM 560 CA TRP A 38 73.732 -2.981 4.684 1.00 0.00 C ATOM 561 C TRP A 38 75.015 -3.364 3.941 1.00 0.00 C ATOM 562 O TRP A 38 75.987 -3.786 4.566 1.00 0.00 O ATOM 563 CB TRP A 38 73.694 -1.456 4.949 1.00 0.00 C ATOM 564 CG TRP A 38 72.866 -0.749 3.919 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.314 0.233 3.106 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.460 -0.944 3.591 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.272 0.657 2.302 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.108 -0.042 2.560 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.465 -1.810 4.082 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.816 0.003 2.037 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.164 -1.769 3.557 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.841 -0.864 2.536 1.00 0.00 C ATOM 0 H TRP A 38 73.910 -3.089 6.772 1.00 0.00 H new ATOM 0 HA TRP A 38 72.882 -3.266 4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.285 -1.266 5.941 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.708 -1.057 4.941 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.321 0.623 3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.353 1.396 1.603 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.704 -2.511 4.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.571 0.703 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.408 -2.438 3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.838 -0.837 2.135 1.00 0.00 H new ATOM 583 N ALA A 39 75.022 -3.226 2.613 1.00 0.00 N ATOM 584 CA ALA A 39 76.219 -3.582 1.854 1.00 0.00 C ATOM 585 C ALA A 39 76.131 -3.123 0.401 1.00 0.00 C ATOM 586 O ALA A 39 75.044 -3.018 -0.166 1.00 0.00 O ATOM 587 CB ALA A 39 76.417 -5.098 1.892 1.00 0.00 C ATOM 0 H ALA A 39 74.239 -2.882 2.057 1.00 0.00 H new ATOM 0 HA ALA A 39 77.066 -3.075 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.310 -5.363 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.533 -5.424 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 39 75.549 -5.589 1.452 1.00 0.00 H new ATOM 593 N LEU A 40 77.298 -2.876 -0.201 1.00 0.00 N ATOM 594 CA LEU A 40 77.379 -2.455 -1.604 1.00 0.00 C ATOM 595 C LEU A 40 78.307 -3.408 -2.345 1.00 0.00 C ATOM 596 O LEU A 40 79.492 -3.508 -2.026 1.00 0.00 O ATOM 597 CB LEU A 40 77.913 -1.013 -1.688 1.00 0.00 C ATOM 598 CG LEU A 40 77.769 -0.417 -3.110 1.00 0.00 C ATOM 599 CD1 LEU A 40 78.657 -1.175 -4.113 1.00 0.00 C ATOM 600 CD2 LEU A 40 76.298 -0.456 -3.571 1.00 0.00 C ATOM 0 H LEU A 40 78.203 -2.960 0.262 1.00 0.00 H new ATOM 0 HA LEU A 40 76.389 -2.481 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.375 -0.386 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.963 -0.999 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 40 78.096 0.622 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 78.539 -0.739 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 40 79.700 -1.100 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.361 -2.224 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 76.219 -0.033 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 40 75.948 -1.488 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 75.685 0.125 -2.882 1.00 0.00 H new ATOM 612 N GLY A 41 77.760 -4.115 -3.326 1.00 0.00 N ATOM 613 CA GLY A 41 78.546 -5.070 -4.094 1.00 0.00 C ATOM 614 C GLY A 41 78.653 -6.397 -3.345 1.00 0.00 C ATOM 615 O GLY A 41 79.335 -7.318 -3.790 1.00 0.00 O ATOM 0 H GLY A 41 76.782 -4.046 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.084 -5.231 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 41 79.542 -4.667 -4.277 1.00 0.00 H new ATOM 619 N GLY A 42 77.964 -6.484 -2.203 1.00 0.00 N ATOM 620 CA GLY A 42 77.973 -7.703 -1.390 1.00 0.00 C ATOM 621 C GLY A 42 78.885 -7.566 -0.172 1.00 0.00 C ATOM 622 O GLY A 42 78.874 -8.424 0.713 1.00 0.00 O ATOM 0 H GLY A 42 77.395 -5.728 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 42 76.958 -7.928 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.304 -8.544 -1.999 1.00 0.00 H new ATOM 626 N VAL A 43 79.677 -6.491 -0.123 1.00 0.00 N ATOM 627 CA VAL A 43 80.593 -6.267 1.005 1.00 0.00 C ATOM 628 C VAL A 43 80.086 -5.117 1.892 1.00 0.00 C ATOM 629 O VAL A 43 79.358 -4.249 1.408 1.00 0.00 O ATOM 630 CB VAL A 43 81.986 -5.921 0.473 1.00 0.00 C ATOM 631 CG1 VAL A 43 82.644 -7.178 -0.103 1.00 0.00 C ATOM 632 CG2 VAL A 43 81.860 -4.865 -0.626 1.00 0.00 C ATOM 0 H VAL A 43 79.705 -5.768 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 43 80.640 -7.178 1.602 1.00 0.00 H new ATOM 0 HB VAL A 43 82.599 -5.533 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.636 -6.929 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 43 82.733 -7.933 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.033 -7.568 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 43 82.851 -4.616 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.247 -5.256 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.393 -3.969 -0.218 1.00 0.00 H new ATOM 642 N PRO A 44 80.448 -5.068 3.166 1.00 0.00 N ATOM 643 CA PRO A 44 79.988 -3.964 4.065 1.00 0.00 C ATOM 644 C PRO A 44 80.607 -2.613 3.689 1.00 0.00 C ATOM 645 O PRO A 44 81.688 -2.554 3.102 1.00 0.00 O ATOM 646 CB PRO A 44 80.407 -4.396 5.491 1.00 0.00 C ATOM 647 CG PRO A 44 81.055 -5.753 5.370 1.00 0.00 C ATOM 648 CD PRO A 44 81.319 -6.023 3.881 1.00 0.00 C ATOM 0 HA PRO A 44 78.911 -3.815 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.100 -3.675 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.540 -4.440 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.988 -5.781 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.407 -6.523 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.368 -5.866 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.078 -7.053 3.617 1.00 0.00 H new ATOM 656 N LEU A 45 79.910 -1.531 4.045 1.00 0.00 N ATOM 657 CA LEU A 45 80.386 -0.173 3.762 1.00 0.00 C ATOM 658 C LEU A 45 80.314 0.683 5.023 1.00 0.00 C ATOM 659 O LEU A 45 79.960 0.196 6.097 1.00 0.00 O ATOM 660 CB LEU A 45 79.530 0.471 2.657 1.00 0.00 C ATOM 661 CG LEU A 45 78.061 0.043 2.809 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.540 0.440 4.199 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.203 0.719 1.717 1.00 0.00 C ATOM 0 H LEU A 45 79.013 -1.568 4.530 1.00 0.00 H new ATOM 0 HA LEU A 45 81.421 -0.233 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.608 1.557 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.904 0.174 1.677 1.00 0.00 H new ATOM 0 HG LEU A 45 77.993 -1.039 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.499 0.133 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.138 -0.052 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.613 1.521 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.163 0.412 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.275 1.802 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.565 0.420 0.733 1.00 0.00 H new ATOM 675 N GLN A 46 80.639 1.966 4.880 1.00 0.00 N ATOM 676 CA GLN A 46 80.597 2.897 6.005 1.00 0.00 C ATOM 677 C GLN A 46 80.084 4.251 5.529 1.00 0.00 C ATOM 678 O GLN A 46 80.282 4.619 4.372 1.00 0.00 O ATOM 679 CB GLN A 46 81.994 3.048 6.613 1.00 0.00 C ATOM 680 CG GLN A 46 81.918 3.931 7.862 1.00 0.00 C ATOM 681 CD GLN A 46 83.278 3.981 8.550 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.258 4.435 7.958 1.00 0.00 O ATOM 683 NE2 GLN A 46 83.397 3.542 9.773 1.00 0.00 N ATOM 0 H GLN A 46 80.934 2.384 3.998 1.00 0.00 H new ATOM 0 HA GLN A 46 79.923 2.507 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.397 2.069 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.673 3.490 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 46 81.603 4.938 7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.168 3.539 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.584 3.166 10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 46 84.303 3.574 10.241 1.00 0.00 H new ATOM 692 N ALA A 47 79.414 4.978 6.418 1.00 0.00 N ATOM 693 CA ALA A 47 78.863 6.287 6.071 1.00 0.00 C ATOM 694 C ALA A 47 79.916 7.171 5.407 1.00 0.00 C ATOM 695 O ALA A 47 80.542 8.008 6.058 1.00 0.00 O ATOM 696 CB ALA A 47 78.340 6.978 7.331 1.00 0.00 C ATOM 0 H ALA A 47 79.239 4.686 7.380 1.00 0.00 H new ATOM 0 HA ALA A 47 78.047 6.134 5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.930 7.953 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.559 6.367 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.157 7.107 8.041 1.00 0.00 H new ATOM 702 N ASN A 48 80.100 6.979 4.105 1.00 0.00 N ATOM 703 CA ASN A 48 81.072 7.757 3.345 1.00 0.00 C ATOM 704 C ASN A 48 80.489 9.115 2.971 1.00 0.00 C ATOM 705 O ASN A 48 79.277 9.310 3.014 1.00 0.00 O ATOM 706 CB ASN A 48 81.469 6.994 2.080 1.00 0.00 C ATOM 707 CG ASN A 48 82.578 7.736 1.342 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.300 8.534 1.941 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.760 7.517 0.068 1.00 0.00 N ATOM 0 H ASN A 48 79.588 6.290 3.553 1.00 0.00 H new ATOM 0 HA ASN A 48 81.956 7.915 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.805 5.991 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.602 6.880 1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.501 8.007 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.161 6.856 -0.426 1.00 0.00 H new ATOM 716 N GLU A 49 81.352 10.053 2.610 1.00 0.00 N ATOM 717 CA GLU A 49 80.888 11.385 2.240 1.00 0.00 C ATOM 718 C GLU A 49 79.901 11.296 1.079 1.00 0.00 C ATOM 719 O GLU A 49 78.848 11.932 1.099 1.00 0.00 O ATOM 720 CB GLU A 49 82.079 12.257 1.841 1.00 0.00 C ATOM 721 CG GLU A 49 81.603 13.680 1.523 1.00 0.00 C ATOM 722 CD GLU A 49 82.791 14.553 1.131 1.00 0.00 C ATOM 723 OE1 GLU A 49 83.910 14.157 1.411 1.00 0.00 O ATOM 724 OE2 GLU A 49 82.564 15.599 0.547 1.00 0.00 O1- ATOM 0 H GLU A 49 82.363 9.922 2.565 1.00 0.00 H new ATOM 0 HA GLU A 49 80.385 11.833 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.810 12.281 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 82.579 11.829 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 80.876 13.656 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.099 14.106 2.391 1.00 0.00 H new ATOM 731 N MET A 50 80.247 10.502 0.071 1.00 0.00 N ATOM 732 CA MET A 50 79.383 10.340 -1.092 1.00 0.00 C ATOM 733 C MET A 50 78.079 9.641 -0.707 1.00 0.00 C ATOM 734 O MET A 50 77.010 9.984 -1.212 1.00 0.00 O ATOM 735 CB MET A 50 80.116 9.541 -2.174 1.00 0.00 C ATOM 736 CG MET A 50 81.248 10.398 -2.744 1.00 0.00 C ATOM 737 SD MET A 50 82.112 9.487 -4.049 1.00 0.00 S ATOM 738 CE MET A 50 83.481 10.652 -4.267 1.00 0.00 C ATOM 0 H MET A 50 81.113 9.964 0.036 1.00 0.00 H new ATOM 0 HA MET A 50 79.135 11.327 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.517 8.618 -1.754 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.424 9.256 -2.966 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.846 11.329 -3.143 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.947 10.667 -1.952 1.00 0.00 H new ATOM 0 HE1 MET A 50 84.153 10.283 -5.042 1.00 0.00 H new ATOM 0 HE2 MET A 50 83.087 11.625 -4.562 1.00 0.00 H new ATOM 0 HE3 MET A 50 84.028 10.751 -3.329 1.00 0.00 H new ATOM 748 N ASN A 51 78.174 8.659 0.193 1.00 0.00 N ATOM 749 CA ASN A 51 76.995 7.914 0.652 1.00 0.00 C ATOM 750 C ASN A 51 76.656 8.284 2.095 1.00 0.00 C ATOM 751 O ASN A 51 77.388 7.940 3.020 1.00 0.00 O ATOM 752 CB ASN A 51 77.265 6.412 0.567 1.00 0.00 C ATOM 753 CG ASN A 51 77.529 6.012 -0.879 1.00 0.00 C ATOM 754 OD1 ASN A 51 76.709 6.280 -1.756 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.633 5.389 -1.181 1.00 0.00 N ATOM 0 H ASN A 51 79.052 8.361 0.618 1.00 0.00 H new ATOM 0 HA ASN A 51 76.152 8.173 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.123 6.153 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.411 5.858 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.820 5.122 -2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 51 79.310 5.169 -0.451 1.00 0.00 H new ATOM 762 N ASP A 52 75.530 8.972 2.281 1.00 0.00 N ATOM 763 CA ASP A 52 75.087 9.378 3.611 1.00 0.00 C ATOM 764 C ASP A 52 73.930 8.499 4.044 1.00 0.00 C ATOM 765 O ASP A 52 73.118 8.085 3.217 1.00 0.00 O ATOM 766 CB ASP A 52 74.641 10.840 3.592 1.00 0.00 C ATOM 767 CG ASP A 52 75.853 11.750 3.435 1.00 0.00 C ATOM 768 OD1 ASP A 52 76.955 11.279 3.664 1.00 0.00 O ATOM 769 OD2 ASP A 52 75.661 12.904 3.086 1.00 0.00 O1- ATOM 0 H ASP A 52 74.908 9.259 1.525 1.00 0.00 H new ATOM 0 HA ASP A 52 75.914 9.270 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.942 11.006 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.112 11.080 4.514 1.00 0.00 H new ATOM 774 N ILE A 53 73.858 8.207 5.337 1.00 0.00 N ATOM 775 CA ILE A 53 72.793 7.363 5.861 1.00 0.00 C ATOM 776 C ILE A 53 72.067 8.095 6.978 1.00 0.00 C ATOM 777 O ILE A 53 72.691 8.628 7.895 1.00 0.00 O ATOM 778 CB ILE A 53 73.385 6.055 6.380 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.244 5.421 5.281 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.246 5.098 6.724 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.799 4.083 5.764 1.00 0.00 C ATOM 0 H ILE A 53 74.520 8.540 6.038 1.00 0.00 H new ATOM 0 HA ILE A 53 72.081 7.136 5.067 1.00 0.00 H new ATOM 0 HB ILE A 53 73.993 6.250 7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.648 5.274 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.063 6.090 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.659 4.160 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.614 5.546 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.651 4.904 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.409 3.637 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.411 4.242 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.974 3.413 6.007 1.00 0.00 H new ATOM 793 N THR A 54 70.743 8.128 6.884 1.00 0.00 N ATOM 794 CA THR A 54 69.915 8.810 7.877 1.00 0.00 C ATOM 795 C THR A 54 68.876 7.858 8.453 1.00 0.00 C ATOM 796 O THR A 54 68.185 7.153 7.715 1.00 0.00 O ATOM 797 CB THR A 54 69.218 10.004 7.222 1.00 0.00 C ATOM 798 OG1 THR A 54 70.195 10.927 6.764 1.00 0.00 O ATOM 799 CG2 THR A 54 68.298 10.686 8.235 1.00 0.00 C ATOM 0 H THR A 54 70.216 7.690 6.128 1.00 0.00 H new ATOM 0 HA THR A 54 70.552 9.157 8.690 1.00 0.00 H new ATOM 0 HB THR A 54 68.622 9.657 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.750 11.692 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 54 67.804 11.536 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.547 9.976 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.886 11.034 9.084 1.00 0.00 H new ATOM 807 N VAL A 55 68.778 7.844 9.783 1.00 0.00 N ATOM 808 CA VAL A 55 67.828 6.977 10.483 1.00 0.00 C ATOM 809 C VAL A 55 66.740 7.817 11.148 1.00 0.00 C ATOM 810 O VAL A 55 67.028 8.805 11.824 1.00 0.00 O ATOM 811 CB VAL A 55 68.570 6.149 11.536 1.00 0.00 C ATOM 812 CG1 VAL A 55 67.565 5.401 12.419 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.479 5.141 10.830 1.00 0.00 C ATOM 0 H VAL A 55 69.347 8.425 10.399 1.00 0.00 H new ATOM 0 HA VAL A 55 67.359 6.306 9.763 1.00 0.00 H new ATOM 0 HB VAL A 55 69.167 6.812 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 55 68.102 4.815 13.165 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.916 6.119 12.920 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.962 4.736 11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 55 70.011 4.548 11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.876 4.483 10.204 1.00 0.00 H new ATOM 0 HG23 VAL A 55 70.199 5.673 10.208 1.00 0.00 H new ATOM 823 N GLU A 56 65.487 7.417 10.942 1.00 0.00 N ATOM 824 CA GLU A 56 64.341 8.128 11.509 1.00 0.00 C ATOM 825 C GLU A 56 63.332 7.129 12.061 1.00 0.00 C ATOM 826 O GLU A 56 63.309 5.972 11.648 1.00 0.00 O ATOM 827 CB GLU A 56 63.697 8.995 10.419 1.00 0.00 C ATOM 828 CG GLU A 56 62.457 9.705 10.969 1.00 0.00 C ATOM 829 CD GLU A 56 61.884 10.645 9.914 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.591 10.944 8.967 1.00 0.00 O ATOM 831 OE2 GLU A 56 60.742 11.044 10.063 1.00 0.00 O1- ATOM 0 H GLU A 56 65.238 6.600 10.384 1.00 0.00 H new ATOM 0 HA GLU A 56 64.673 8.769 12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.416 9.731 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.421 8.374 9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 61.706 8.970 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.717 10.267 11.866 1.00 0.00 H new ATOM 838 N GLN A 57 62.503 7.575 13.001 1.00 0.00 N ATOM 839 CA GLN A 57 61.504 6.695 13.600 1.00 0.00 C ATOM 840 C GLN A 57 60.843 5.813 12.546 1.00 0.00 C ATOM 841 O GLN A 57 60.970 6.057 11.346 1.00 0.00 O ATOM 842 CB GLN A 57 60.436 7.520 14.317 1.00 0.00 C ATOM 843 CG GLN A 57 60.070 8.739 13.468 1.00 0.00 C ATOM 844 CD GLN A 57 58.909 9.490 14.110 1.00 0.00 C ATOM 845 OE1 GLN A 57 58.599 9.273 15.282 1.00 0.00 O ATOM 846 NE2 GLN A 57 58.245 10.368 13.409 1.00 0.00 N ATOM 0 H GLN A 57 62.502 8.529 13.361 1.00 0.00 H new ATOM 0 HA GLN A 57 62.013 6.053 14.319 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.551 6.910 14.496 1.00 0.00 H new ATOM 0 HB3 GLN A 57 60.804 7.841 15.292 1.00 0.00 H new ATOM 0 HG2 GLN A 57 60.933 9.399 13.373 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.797 8.423 12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 57 58.503 10.546 12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 57 57.468 10.876 13.832 1.00 0.00 H new ATOM 855 N GLY A 58 60.140 4.784 13.007 1.00 0.00 N ATOM 856 CA GLY A 58 59.472 3.866 12.098 1.00 0.00 C ATOM 857 C GLY A 58 60.510 3.049 11.353 1.00 0.00 C ATOM 858 O GLY A 58 60.226 2.440 10.321 1.00 0.00 O ATOM 0 H GLY A 58 60.020 4.568 13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.805 3.207 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.855 4.421 11.392 1.00 0.00 H new ATOM 862 N THR A 59 61.726 3.055 11.887 1.00 0.00 N ATOM 863 CA THR A 59 62.823 2.329 11.276 1.00 0.00 C ATOM 864 C THR A 59 62.946 2.708 9.811 1.00 0.00 C ATOM 865 O THR A 59 63.358 1.895 8.976 1.00 0.00 O ATOM 866 CB THR A 59 62.611 0.829 11.421 1.00 0.00 C ATOM 867 OG1 THR A 59 61.447 0.440 10.705 1.00 0.00 O ATOM 868 CG2 THR A 59 62.443 0.503 12.902 1.00 0.00 C ATOM 0 H THR A 59 61.973 3.555 12.741 1.00 0.00 H new ATOM 0 HA THR A 59 63.749 2.597 11.786 1.00 0.00 H new ATOM 0 HB THR A 59 63.468 0.289 11.018 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.170 1.168 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.290 -0.569 13.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 63.338 0.806 13.445 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.580 1.040 13.297 1.00 0.00 H new ATOM 876 N LEU A 60 62.586 3.956 9.512 1.00 0.00 N ATOM 877 CA LEU A 60 62.665 4.454 8.146 1.00 0.00 C ATOM 878 C LEU A 60 64.128 4.682 7.767 1.00 0.00 C ATOM 879 O LEU A 60 64.873 5.335 8.499 1.00 0.00 O ATOM 880 CB LEU A 60 61.887 5.777 8.020 1.00 0.00 C ATOM 881 CG LEU A 60 60.364 5.522 8.053 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.641 6.802 8.486 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.853 5.138 6.656 1.00 0.00 C ATOM 0 H LEU A 60 62.240 4.632 10.193 1.00 0.00 H new ATOM 0 HA LEU A 60 62.225 3.717 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.166 6.447 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.157 6.276 7.089 1.00 0.00 H new ATOM 0 HG LEU A 60 60.168 4.711 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.566 6.623 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 60 59.982 7.094 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.860 7.601 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.778 4.962 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.061 5.948 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.357 4.231 6.321 1.00 0.00 H new ATOM 895 N HIS A 61 64.529 4.143 6.617 1.00 0.00 N ATOM 896 CA HIS A 61 65.905 4.284 6.129 1.00 0.00 C ATOM 897 C HIS A 61 65.921 5.138 4.873 1.00 0.00 C ATOM 898 O HIS A 61 64.954 5.145 4.108 1.00 0.00 O ATOM 899 CB HIS A 61 66.492 2.912 5.807 1.00 0.00 C ATOM 900 CG HIS A 61 66.664 2.125 7.076 1.00 0.00 C ATOM 901 ND1 HIS A 61 65.625 1.406 7.643 1.00 0.00 N ATOM 902 CD2 HIS A 61 67.751 1.921 7.891 1.00 0.00 C ATOM 903 CE1 HIS A 61 66.104 0.807 8.750 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.394 1.090 8.948 1.00 0.00 N ATOM 0 H HIS A 61 63.920 3.603 6.002 1.00 0.00 H new ATOM 0 HA HIS A 61 66.503 4.760 6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.835 2.376 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.453 3.025 5.305 1.00 0.00 H new ATOM 0 HD1 HIS A 61 64.671 1.342 7.287 1.00 0.00 H new ATOM 0 HD2 HIS A 61 68.733 2.342 7.735 1.00 0.00 H new ATOM 0 HE1 HIS A 61 65.516 0.175 9.399 1.00 0.00 H new ATOM 912 N LEU A 62 67.017 5.867 4.661 1.00 0.00 N ATOM 913 CA LEU A 62 67.125 6.732 3.489 1.00 0.00 C ATOM 914 C LEU A 62 68.578 6.893 3.057 1.00 0.00 C ATOM 915 O LEU A 62 69.345 7.616 3.696 1.00 0.00 O ATOM 916 CB LEU A 62 66.530 8.105 3.836 1.00 0.00 C ATOM 917 CG LEU A 62 66.672 9.082 2.658 1.00 0.00 C ATOM 918 CD1 LEU A 62 66.001 8.507 1.401 1.00 0.00 C ATOM 919 CD2 LEU A 62 66.004 10.412 3.036 1.00 0.00 C ATOM 0 H LEU A 62 67.831 5.876 5.276 1.00 0.00 H new ATOM 0 HA LEU A 62 66.579 6.280 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.477 7.994 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.033 8.512 4.713 1.00 0.00 H new ATOM 0 HG LEU A 62 67.729 9.240 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.110 9.211 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 62 66.474 7.561 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.942 8.340 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.098 11.115 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 62 64.949 10.241 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.491 10.825 3.919 1.00 0.00 H new ATOM 931 N LEU A 63 68.949 6.245 1.950 1.00 0.00 N ATOM 932 CA LEU A 63 70.309 6.362 1.432 1.00 0.00 C ATOM 933 C LEU A 63 70.366 7.577 0.511 1.00 0.00 C ATOM 934 O LEU A 63 69.857 7.534 -0.604 1.00 0.00 O ATOM 935 CB LEU A 63 70.691 5.070 0.658 1.00 0.00 C ATOM 936 CG LEU A 63 71.732 4.214 1.412 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.100 4.912 1.419 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.265 3.934 2.851 1.00 0.00 C ATOM 0 H LEU A 63 68.334 5.642 1.403 1.00 0.00 H new ATOM 0 HA LEU A 63 71.019 6.488 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.794 4.476 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.088 5.341 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 63 71.832 3.261 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 73.821 4.294 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.439 5.059 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.012 5.879 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.012 3.330 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.134 4.877 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 70.317 3.396 2.828 1.00 0.00 H new ATOM 950 N THR A 64 70.979 8.660 0.975 1.00 0.00 N ATOM 951 CA THR A 64 71.073 9.866 0.161 1.00 0.00 C ATOM 952 C THR A 64 72.364 9.861 -0.642 1.00 0.00 C ATOM 953 O THR A 64 73.451 10.052 -0.096 1.00 0.00 O ATOM 954 CB THR A 64 71.031 11.105 1.055 1.00 0.00 C ATOM 955 OG1 THR A 64 69.823 11.105 1.804 1.00 0.00 O ATOM 956 CG2 THR A 64 71.094 12.363 0.187 1.00 0.00 C ATOM 0 H THR A 64 71.412 8.729 1.896 1.00 0.00 H new ATOM 0 HA THR A 64 70.227 9.888 -0.526 1.00 0.00 H new ATOM 0 HB THR A 64 71.882 11.092 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.795 11.898 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.064 13.247 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.020 12.362 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.243 12.378 -0.494 1.00 0.00 H new ATOM 964 N LEU A 65 72.230 9.638 -1.946 1.00 0.00 N ATOM 965 CA LEU A 65 73.390 9.604 -2.843 1.00 0.00 C ATOM 966 C LEU A 65 73.563 10.948 -3.544 1.00 0.00 C ATOM 967 O LEU A 65 72.757 11.324 -4.395 1.00 0.00 O ATOM 968 CB LEU A 65 73.198 8.495 -3.886 1.00 0.00 C ATOM 969 CG LEU A 65 74.343 8.507 -4.911 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.700 8.403 -4.197 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.171 7.311 -5.855 1.00 0.00 C ATOM 0 H LEU A 65 71.335 9.478 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 65 74.285 9.402 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.158 7.525 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.245 8.631 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 65 74.315 9.440 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.501 8.413 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.821 9.248 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.742 7.474 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.978 7.307 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.200 6.386 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.213 7.388 -6.370 1.00 0.00 H new ATOM 983 N HIS A 66 74.624 11.668 -3.175 1.00 0.00 N ATOM 984 CA HIS A 66 74.911 12.978 -3.762 1.00 0.00 C ATOM 985 C HIS A 66 75.838 12.840 -4.976 1.00 0.00 C ATOM 986 O HIS A 66 76.740 12.003 -4.986 1.00 0.00 O ATOM 987 CB HIS A 66 75.562 13.885 -2.683 1.00 0.00 C ATOM 988 CG HIS A 66 74.742 15.131 -2.468 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.136 15.413 -1.255 1.00 0.00 N ATOM 990 CD2 HIS A 66 74.417 16.173 -3.302 1.00 0.00 C ATOM 991 CE1 HIS A 66 73.483 16.582 -1.389 1.00 0.00 C ATOM 992 NE2 HIS A 66 73.621 17.089 -2.619 1.00 0.00 N ATOM 0 H HIS A 66 75.299 11.366 -2.472 1.00 0.00 H new ATOM 0 HA HIS A 66 73.980 13.429 -4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 66 75.651 13.336 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 66 76.572 14.157 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.731 16.267 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 66 72.917 17.053 -0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 66 73.228 17.959 -2.979 1.00 0.00 H new ATOM 1000 N LYS A 67 75.614 13.683 -5.983 1.00 0.00 N ATOM 1001 CA LYS A 67 76.438 13.667 -7.189 1.00 0.00 C ATOM 1002 C LYS A 67 76.734 12.237 -7.633 1.00 0.00 C ATOM 1003 O LYS A 67 77.655 11.597 -7.124 1.00 0.00 O ATOM 1004 CB LYS A 67 77.749 14.406 -6.922 1.00 0.00 C ATOM 1005 CG LYS A 67 77.454 15.891 -6.705 1.00 0.00 C ATOM 1006 CD LYS A 67 78.751 16.634 -6.385 1.00 0.00 C ATOM 1007 CE LYS A 67 78.451 18.122 -6.190 1.00 0.00 C ATOM 1008 NZ LYS A 67 79.709 18.842 -5.854 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.872 14.383 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 67 75.889 14.165 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.243 13.989 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 67 78.431 14.277 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 67 76.992 16.314 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 67 76.742 16.015 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.206 16.222 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.469 16.500 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 67 78.013 18.538 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 67 77.719 18.255 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 79.505 19.853 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 80.109 18.451 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 80.393 18.725 -6.628 1.00 0.00 H new ATOM 1022 N VAL A 68 75.948 11.739 -8.581 1.00 0.00 N ATOM 1023 CA VAL A 68 76.139 10.380 -9.075 1.00 0.00 C ATOM 1024 C VAL A 68 77.355 10.301 -9.998 1.00 0.00 C ATOM 1025 O VAL A 68 77.762 11.295 -10.599 1.00 0.00 O ATOM 1026 CB VAL A 68 74.878 9.892 -9.814 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.829 10.485 -11.230 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.893 8.359 -9.913 1.00 0.00 C ATOM 0 H VAL A 68 75.181 12.249 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 68 76.316 9.731 -8.217 1.00 0.00 H new ATOM 0 HB VAL A 68 74.000 10.217 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.933 10.132 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.807 11.573 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.712 10.171 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.999 8.019 -10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.779 8.038 -10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.912 7.930 -8.911 1.00 0.00 H new ATOM 1038 N THR A 69 77.914 9.102 -10.107 1.00 0.00 N ATOM 1039 CA THR A 69 79.075 8.856 -10.956 1.00 0.00 C ATOM 1040 C THR A 69 78.845 7.580 -11.758 1.00 0.00 C ATOM 1041 O THR A 69 78.055 6.726 -11.359 1.00 0.00 O ATOM 1042 CB THR A 69 80.330 8.707 -10.086 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.422 9.815 -9.200 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.579 8.661 -10.974 1.00 0.00 C ATOM 0 H THR A 69 77.578 8.276 -9.612 1.00 0.00 H new ATOM 0 HA THR A 69 79.216 9.694 -11.638 1.00 0.00 H new ATOM 0 HB THR A 69 80.263 7.781 -9.514 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.222 9.722 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.466 8.555 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.511 7.812 -11.654 1.00 0.00 H new ATOM 0 HG23 THR A 69 81.649 9.583 -11.551 1.00 0.00 H new ATOM 1052 N LEU A 70 79.528 7.451 -12.887 1.00 0.00 N ATOM 1053 CA LEU A 70 79.372 6.266 -13.721 1.00 0.00 C ATOM 1054 C LEU A 70 79.680 5.020 -12.901 1.00 0.00 C ATOM 1055 O LEU A 70 79.208 3.925 -13.207 1.00 0.00 O ATOM 1056 CB LEU A 70 80.328 6.342 -14.915 1.00 0.00 C ATOM 1057 CG LEU A 70 79.903 7.474 -15.864 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.047 7.768 -16.838 1.00 0.00 C ATOM 1059 CD2 LEU A 70 78.650 7.069 -16.665 1.00 0.00 C ATOM 0 H LEU A 70 80.188 8.142 -13.244 1.00 0.00 H new ATOM 0 HA LEU A 70 78.346 6.217 -14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.346 6.514 -14.565 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.331 5.392 -15.449 1.00 0.00 H new ATOM 0 HG LEU A 70 79.672 8.360 -15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 70 80.752 8.570 -17.514 1.00 0.00 H new ATOM 0 HD12 LEU A 70 81.932 8.072 -16.279 1.00 0.00 H new ATOM 0 HD13 LEU A 70 81.273 6.871 -17.415 1.00 0.00 H new ATOM 0 HD21 LEU A 70 78.365 7.883 -17.331 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.867 6.178 -17.254 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.831 6.859 -15.977 1.00 0.00 H new ATOM 1071 N GLU A 71 80.477 5.201 -11.857 1.00 0.00 N ATOM 1072 CA GLU A 71 80.856 4.095 -10.983 1.00 0.00 C ATOM 1073 C GLU A 71 79.695 3.688 -10.079 1.00 0.00 C ATOM 1074 O GLU A 71 79.783 2.702 -9.344 1.00 0.00 O ATOM 1075 CB GLU A 71 82.054 4.505 -10.123 1.00 0.00 C ATOM 1076 CG GLU A 71 83.280 4.722 -11.014 1.00 0.00 C ATOM 1077 CD GLU A 71 83.725 3.397 -11.623 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.370 2.366 -11.072 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.411 3.430 -12.632 1.00 0.00 O1- ATOM 0 H GLU A 71 80.875 6.102 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 71 81.123 3.242 -11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.825 5.419 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.263 3.733 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.043 5.434 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 71 84.092 5.154 -10.429 1.00 0.00 H new ATOM 1086 N ASP A 72 78.609 4.454 -10.126 1.00 0.00 N ATOM 1087 CA ASP A 72 77.445 4.165 -9.296 1.00 0.00 C ATOM 1088 C ASP A 72 76.880 2.786 -9.619 1.00 0.00 C ATOM 1089 O ASP A 72 76.452 2.054 -8.725 1.00 0.00 O ATOM 1090 CB ASP A 72 76.364 5.221 -9.528 1.00 0.00 C ATOM 1091 CG ASP A 72 75.228 5.032 -8.528 1.00 0.00 C ATOM 1092 OD1 ASP A 72 74.248 5.753 -8.631 1.00 0.00 O ATOM 1093 OD2 ASP A 72 75.355 4.171 -7.673 1.00 0.00 O1- ATOM 0 H ASP A 72 78.511 5.273 -10.725 1.00 0.00 H new ATOM 0 HA ASP A 72 77.758 4.182 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 72 76.790 6.219 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.981 5.144 -10.545 1.00 0.00 H new ATOM 1098 N ALA A 73 76.875 2.441 -10.902 1.00 0.00 N ATOM 1099 CA ALA A 73 76.354 1.148 -11.336 1.00 0.00 C ATOM 1100 C ALA A 73 76.852 0.030 -10.421 1.00 0.00 C ATOM 1101 O ALA A 73 78.054 -0.117 -10.201 1.00 0.00 O ATOM 1102 CB ALA A 73 76.796 0.873 -12.777 1.00 0.00 C ATOM 0 H ALA A 73 77.223 3.033 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 73 75.266 1.177 -11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.406 -0.093 -13.099 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.412 1.656 -13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.885 0.860 -12.827 1.00 0.00 H new ATOM 1108 N GLY A 74 75.915 -0.750 -9.890 1.00 0.00 N ATOM 1109 CA GLY A 74 76.262 -1.850 -8.996 1.00 0.00 C ATOM 1110 C GLY A 74 75.013 -2.607 -8.550 1.00 0.00 C ATOM 1111 O GLY A 74 74.023 -2.674 -9.278 1.00 0.00 O ATOM 0 H GLY A 74 74.915 -0.642 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.944 -2.533 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.788 -1.462 -8.123 1.00 0.00 H new ATOM 1115 N THR A 75 75.071 -3.181 -7.350 1.00 0.00 N ATOM 1116 CA THR A 75 73.943 -3.940 -6.810 1.00 0.00 C ATOM 1117 C THR A 75 73.931 -3.860 -5.283 1.00 0.00 C ATOM 1118 O THR A 75 74.759 -4.482 -4.618 1.00 0.00 O ATOM 1119 CB THR A 75 74.058 -5.404 -7.246 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.352 -5.462 -8.636 1.00 0.00 O ATOM 1121 CG2 THR A 75 72.742 -6.132 -6.970 1.00 0.00 C ATOM 0 H THR A 75 75.883 -3.136 -6.735 1.00 0.00 H new ATOM 0 HA THR A 75 73.015 -3.514 -7.192 1.00 0.00 H new ATOM 0 HB THR A 75 74.858 -5.886 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.427 -6.398 -8.916 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.830 -7.173 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.520 -6.090 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 75 71.937 -5.653 -7.527 1.00 0.00 H new ATOM 1129 N VAL A 76 72.991 -3.086 -4.732 1.00 0.00 N ATOM 1130 CA VAL A 76 72.891 -2.934 -3.277 1.00 0.00 C ATOM 1131 C VAL A 76 72.107 -4.099 -2.684 1.00 0.00 C ATOM 1132 O VAL A 76 71.050 -4.463 -3.196 1.00 0.00 O ATOM 1133 CB VAL A 76 72.187 -1.613 -2.926 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.491 -1.229 -1.474 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.665 -0.508 -3.875 1.00 0.00 C ATOM 0 H VAL A 76 72.296 -2.561 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 76 73.898 -2.924 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 76 71.110 -1.738 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.989 -0.292 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.134 -2.014 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.567 -1.107 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.165 0.428 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.743 -0.382 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.427 -0.783 -4.903 1.00 0.00 H new ATOM 1145 N SER A 77 72.625 -4.688 -1.609 1.00 0.00 N ATOM 1146 CA SER A 77 71.950 -5.821 -0.977 1.00 0.00 C ATOM 1147 C SER A 77 72.263 -5.892 0.515 1.00 0.00 C ATOM 1148 O SER A 77 73.214 -5.277 0.996 1.00 0.00 O ATOM 1149 CB SER A 77 72.403 -7.121 -1.637 1.00 0.00 C ATOM 1150 OG SER A 77 73.826 -7.179 -1.629 1.00 0.00 O ATOM 0 H SER A 77 73.497 -4.406 -1.162 1.00 0.00 H new ATOM 0 HA SER A 77 70.876 -5.684 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 77 71.989 -7.977 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 77 72.031 -7.172 -2.660 1.00 0.00 H new ATOM 0 HG SER A 77 74.122 -8.013 -2.050 1.00 0.00 H new ATOM 1156 N PHE A 78 71.455 -6.669 1.235 1.00 0.00 N ATOM 1157 CA PHE A 78 71.640 -6.854 2.673 1.00 0.00 C ATOM 1158 C PHE A 78 71.335 -8.302 3.044 1.00 0.00 C ATOM 1159 O PHE A 78 70.478 -8.938 2.429 1.00 0.00 O ATOM 1160 CB PHE A 78 70.725 -5.903 3.450 1.00 0.00 C ATOM 1161 CG PHE A 78 69.280 -6.178 3.111 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.564 -7.135 3.837 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.652 -5.468 2.079 1.00 0.00 C ATOM 1164 CE1 PHE A 78 67.221 -7.384 3.536 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.308 -5.718 1.776 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.593 -6.675 2.505 1.00 0.00 C ATOM 0 H PHE A 78 70.664 -7.181 0.845 1.00 0.00 H new ATOM 0 HA PHE A 78 72.674 -6.628 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.885 -6.027 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 78 70.973 -4.869 3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 78 69.049 -7.683 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.204 -4.729 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.669 -8.123 4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.823 -5.172 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.556 -6.867 2.272 1.00 0.00 H new ATOM 1176 N HIS A 79 72.052 -8.825 4.042 1.00 0.00 N ATOM 1177 CA HIS A 79 71.866 -10.215 4.477 1.00 0.00 C ATOM 1178 C HIS A 79 71.427 -10.291 5.937 1.00 0.00 C ATOM 1179 O HIS A 79 72.047 -9.701 6.820 1.00 0.00 O ATOM 1180 CB HIS A 79 73.174 -10.994 4.301 1.00 0.00 C ATOM 1181 CG HIS A 79 73.429 -11.234 2.836 1.00 0.00 C ATOM 1182 ND1 HIS A 79 74.117 -10.328 2.043 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.087 -12.273 2.006 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.166 -10.836 0.796 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.554 -12.019 0.720 1.00 0.00 N ATOM 0 H HIS A 79 72.763 -8.312 4.563 1.00 0.00 H new ATOM 0 HA HIS A 79 71.082 -10.655 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 79 74.002 -10.436 4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.116 -11.945 4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 79 72.539 -13.154 2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 79 74.642 -10.345 -0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.451 -12.611 -0.104 1.00 0.00 H new ATOM 1193 N VAL A 80 70.352 -11.045 6.174 1.00 0.00 N ATOM 1194 CA VAL A 80 69.814 -11.235 7.524 1.00 0.00 C ATOM 1195 C VAL A 80 69.830 -12.727 7.862 1.00 0.00 C ATOM 1196 O VAL A 80 69.399 -13.555 7.059 1.00 0.00 O ATOM 1197 CB VAL A 80 68.375 -10.694 7.602 1.00 0.00 C ATOM 1198 CG1 VAL A 80 68.029 -10.321 9.047 1.00 0.00 C ATOM 1199 CG2 VAL A 80 68.242 -9.464 6.701 1.00 0.00 C ATOM 0 H VAL A 80 69.834 -11.536 5.445 1.00 0.00 H new ATOM 0 HA VAL A 80 70.429 -10.690 8.240 1.00 0.00 H new ATOM 0 HB VAL A 80 67.684 -11.467 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 80 67.009 -9.940 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 80 68.113 -11.204 9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.718 -9.554 9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.223 -9.081 6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.938 -8.693 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.470 -9.741 5.672 1.00 0.00 H new ATOM 1209 N GLY A 81 70.331 -13.067 9.043 1.00 0.00 N ATOM 1210 CA GLY A 81 70.396 -14.467 9.454 1.00 0.00 C ATOM 1211 C GLY A 81 69.049 -15.166 9.269 1.00 0.00 C ATOM 1212 O GLY A 81 68.941 -16.381 9.441 1.00 0.00 O ATOM 0 H GLY A 81 70.695 -12.403 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 81 71.159 -14.984 8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.698 -14.527 10.500 1.00 0.00 H new ATOM 1216 N THR A 82 68.021 -14.394 8.912 1.00 0.00 N ATOM 1217 CA THR A 82 66.681 -14.947 8.700 1.00 0.00 C ATOM 1218 C THR A 82 66.394 -15.075 7.206 1.00 0.00 C ATOM 1219 O THR A 82 66.013 -16.143 6.728 1.00 0.00 O ATOM 1220 CB THR A 82 65.641 -14.028 9.345 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.397 -12.921 8.489 1.00 0.00 O ATOM 1222 CG2 THR A 82 66.168 -13.528 10.690 1.00 0.00 C ATOM 0 H THR A 82 68.090 -13.387 8.764 1.00 0.00 H new ATOM 0 HA THR A 82 66.629 -15.936 9.156 1.00 0.00 H new ATOM 0 HB THR A 82 64.713 -14.578 9.502 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.753 -13.179 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 82 65.428 -12.873 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 82 66.358 -14.378 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 82 67.095 -12.975 10.535 1.00 0.00 H new ATOM 1230 N CYS A 83 66.591 -13.981 6.474 1.00 0.00 N ATOM 1231 CA CYS A 83 66.365 -13.978 5.026 1.00 0.00 C ATOM 1232 C CYS A 83 67.253 -12.923 4.361 1.00 0.00 C ATOM 1233 O CYS A 83 67.753 -12.020 5.024 1.00 0.00 O ATOM 1234 CB CYS A 83 64.886 -13.694 4.723 1.00 0.00 C ATOM 1235 SG CYS A 83 64.225 -12.553 5.961 1.00 0.00 S ATOM 0 H CYS A 83 66.905 -13.088 6.855 1.00 0.00 H new ATOM 0 HA CYS A 83 66.622 -14.959 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.784 -13.265 3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 83 64.317 -14.624 4.730 1.00 0.00 H new ATOM 0 HG CYS A 83 62.974 -12.311 5.704 1.00 0.00 H new ATOM 1241 N SER A 84 67.451 -13.044 3.047 1.00 0.00 N ATOM 1242 CA SER A 84 68.292 -12.091 2.311 1.00 0.00 C ATOM 1243 C SER A 84 67.629 -11.674 1.003 1.00 0.00 C ATOM 1244 O SER A 84 66.983 -12.482 0.335 1.00 0.00 O ATOM 1245 CB SER A 84 69.654 -12.718 2.013 1.00 0.00 C ATOM 1246 OG SER A 84 70.425 -11.812 1.234 1.00 0.00 O ATOM 0 H SER A 84 67.046 -13.784 2.473 1.00 0.00 H new ATOM 0 HA SER A 84 68.423 -11.206 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 84 70.173 -12.949 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.525 -13.659 1.478 1.00 0.00 H new ATOM 0 HG SER A 84 70.421 -10.929 1.659 1.00 0.00 H new ATOM 1252 N SER A 85 67.802 -10.402 0.642 1.00 0.00 N ATOM 1253 CA SER A 85 67.228 -9.860 -0.592 1.00 0.00 C ATOM 1254 C SER A 85 68.266 -9.034 -1.345 1.00 0.00 C ATOM 1255 O SER A 85 69.260 -8.592 -0.765 1.00 0.00 O ATOM 1256 CB SER A 85 66.019 -8.984 -0.269 1.00 0.00 C ATOM 1257 OG SER A 85 64.974 -9.797 0.246 1.00 0.00 O ATOM 0 H SER A 85 68.336 -9.726 1.188 1.00 0.00 H new ATOM 0 HA SER A 85 66.914 -10.694 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 85 66.293 -8.220 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.682 -8.464 -1.166 1.00 0.00 H new ATOM 0 HG SER A 85 64.302 -9.230 0.680 1.00 0.00 H new ATOM 1263 N GLU A 86 68.029 -8.830 -2.642 1.00 0.00 N ATOM 1264 CA GLU A 86 68.949 -8.056 -3.479 1.00 0.00 C ATOM 1265 C GLU A 86 68.192 -7.003 -4.286 1.00 0.00 C ATOM 1266 O GLU A 86 66.999 -7.145 -4.553 1.00 0.00 O ATOM 1267 CB GLU A 86 69.686 -8.991 -4.448 1.00 0.00 C ATOM 1268 CG GLU A 86 70.617 -9.937 -3.674 1.00 0.00 C ATOM 1269 CD GLU A 86 69.829 -11.119 -3.117 1.00 0.00 C ATOM 1270 OE1 GLU A 86 70.450 -12.007 -2.553 1.00 0.00 O ATOM 1271 OE2 GLU A 86 68.616 -11.121 -3.264 1.00 0.00 O1- ATOM 0 H GLU A 86 67.211 -9.188 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 86 69.665 -7.558 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 86 68.965 -9.571 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.265 -8.404 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 86 71.409 -10.297 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 86 71.100 -9.397 -2.859 1.00 0.00 H new ATOM 1278 N ALA A 87 68.910 -5.952 -4.681 1.00 0.00 N ATOM 1279 CA ALA A 87 68.332 -4.864 -5.473 1.00 0.00 C ATOM 1280 C ALA A 87 69.278 -4.519 -6.616 1.00 0.00 C ATOM 1281 O ALA A 87 70.497 -4.563 -6.451 1.00 0.00 O ATOM 1282 CB ALA A 87 68.113 -3.630 -4.597 1.00 0.00 C ATOM 0 H ALA A 87 69.899 -5.830 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 87 67.370 -5.184 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.683 -2.829 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.432 -3.878 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.067 -3.302 -4.185 1.00 0.00 H new ATOM 1288 N GLN A 88 68.717 -4.197 -7.781 1.00 0.00 N ATOM 1289 CA GLN A 88 69.531 -3.879 -8.960 1.00 0.00 C ATOM 1290 C GLN A 88 69.512 -2.387 -9.281 1.00 0.00 C ATOM 1291 O GLN A 88 68.450 -1.772 -9.423 1.00 0.00 O ATOM 1292 CB GLN A 88 69.010 -4.668 -10.164 1.00 0.00 C ATOM 1293 CG GLN A 88 68.931 -6.154 -9.802 1.00 0.00 C ATOM 1294 CD GLN A 88 67.730 -6.407 -8.896 1.00 0.00 C ATOM 1295 OE1 GLN A 88 66.611 -6.016 -9.226 1.00 0.00 O ATOM 1296 NE2 GLN A 88 67.898 -7.031 -7.762 1.00 0.00 N ATOM 0 H GLN A 88 67.710 -4.149 -7.936 1.00 0.00 H new ATOM 0 HA GLN A 88 70.562 -4.158 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.026 -4.301 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 88 69.670 -4.525 -11.020 1.00 0.00 H new ATOM 0 HG2 GLN A 88 68.846 -6.754 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.848 -6.464 -9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 88 68.827 -7.354 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 88 67.101 -7.195 -7.147 1.00 0.00 H new ATOM 1305 N LEU A 89 70.713 -1.821 -9.407 1.00 0.00 N ATOM 1306 CA LEU A 89 70.879 -0.405 -9.730 1.00 0.00 C ATOM 1307 C LEU A 89 71.650 -0.277 -11.044 1.00 0.00 C ATOM 1308 O LEU A 89 72.821 -0.644 -11.122 1.00 0.00 O ATOM 1309 CB LEU A 89 71.657 0.277 -8.599 1.00 0.00 C ATOM 1310 CG LEU A 89 71.509 1.804 -8.679 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.190 2.433 -7.458 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.157 2.343 -9.967 1.00 0.00 C ATOM 0 H LEU A 89 71.591 -2.327 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 89 69.905 0.072 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.293 -0.078 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.711 0.005 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 89 70.450 2.061 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 89 72.091 3.517 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.717 2.064 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.247 2.165 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.042 3.426 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.217 2.090 -9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.671 1.895 -10.834 1.00 0.00 H new ATOM 1324 N LYS A 90 70.985 0.243 -12.075 1.00 0.00 N ATOM 1325 CA LYS A 90 71.611 0.416 -13.390 1.00 0.00 C ATOM 1326 C LYS A 90 71.833 1.895 -13.686 1.00 0.00 C ATOM 1327 O LYS A 90 71.123 2.752 -13.165 1.00 0.00 O ATOM 1328 CB LYS A 90 70.713 -0.190 -14.473 1.00 0.00 C ATOM 1329 CG LYS A 90 70.620 -1.703 -14.266 1.00 0.00 C ATOM 1330 CD LYS A 90 69.730 -2.327 -15.351 1.00 0.00 C ATOM 1331 CE LYS A 90 68.287 -1.803 -15.234 1.00 0.00 C ATOM 1332 NZ LYS A 90 67.928 -1.602 -13.801 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.014 0.552 -12.028 1.00 0.00 H new ATOM 0 HA LYS A 90 72.576 -0.092 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.719 0.256 -14.429 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.117 0.029 -15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 90 71.616 -2.145 -14.302 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.210 -1.919 -13.279 1.00 0.00 H new ATOM 0 HD2 LYS A 90 70.130 -2.091 -16.337 1.00 0.00 H new ATOM 0 HD3 LYS A 90 69.737 -3.413 -15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 90 68.188 -0.863 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 90 67.597 -2.510 -15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 66.899 -1.700 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 68.412 -2.314 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.221 -0.651 -13.500 1.00 0.00 H new ATOM 1346 N VAL A 91 72.824 2.187 -14.530 1.00 0.00 N ATOM 1347 CA VAL A 91 73.139 3.571 -14.902 1.00 0.00 C ATOM 1348 C VAL A 91 72.975 3.746 -16.408 1.00 0.00 C ATOM 1349 O VAL A 91 73.484 2.945 -17.193 1.00 0.00 O ATOM 1350 CB VAL A 91 74.583 3.904 -14.497 1.00 0.00 C ATOM 1351 CG1 VAL A 91 75.006 5.245 -15.106 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.672 3.997 -12.972 1.00 0.00 C ATOM 0 H VAL A 91 73.422 1.487 -14.969 1.00 0.00 H new ATOM 0 HA VAL A 91 72.458 4.246 -14.383 1.00 0.00 H new ATOM 0 HB VAL A 91 75.244 3.119 -14.863 1.00 0.00 H new ATOM 0 HG11 VAL A 91 76.031 5.471 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.944 5.187 -16.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.344 6.033 -14.747 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.696 4.233 -12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.003 4.781 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.381 3.043 -12.532 1.00 0.00 H new ATOM 1362 N THR A 92 72.264 4.797 -16.806 1.00 0.00 N ATOM 1363 CA THR A 92 72.046 5.060 -18.228 1.00 0.00 C ATOM 1364 C THR A 92 73.228 5.839 -18.799 1.00 0.00 C ATOM 1365 O THR A 92 73.671 6.829 -18.216 1.00 0.00 O ATOM 1366 CB THR A 92 70.751 5.857 -18.425 1.00 0.00 C ATOM 1367 OG1 THR A 92 69.739 5.318 -17.588 1.00 0.00 O ATOM 1368 CG2 THR A 92 70.302 5.756 -19.886 1.00 0.00 C ATOM 0 H THR A 92 71.834 5.473 -16.175 1.00 0.00 H new ATOM 0 HA THR A 92 71.958 4.109 -18.753 1.00 0.00 H new ATOM 0 HB THR A 92 70.926 6.902 -18.170 1.00 0.00 H new ATOM 0 HG1 THR A 92 68.909 5.826 -17.709 1.00 0.00 H new ATOM 0 HG21 THR A 92 69.381 6.323 -20.024 1.00 0.00 H new ATOM 0 HG22 THR A 92 71.079 6.162 -20.534 1.00 0.00 H new ATOM 0 HG23 THR A 92 70.126 4.711 -20.141 1.00 0.00 H new