USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 32 ASN : amide:sc= 0.92 K(o=1.9,f=-5.4!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.979 K(o=1.9,f=-8.1!) USER MOD Set 2.1: A 53 HIS : no HE2:sc= 1.01 K(o=3.2,f=-5.2!) USER MOD Set 2.2: A 86 THR OG1 : rot -36:sc= 2.19 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.0396 K(o=0.041,f=-1.1!) USER MOD Set 3.2: A 36 CYS SG : rot 96:sc= 0.0415 USER MOD Set 3.3: A 37 SER OG : rot 180:sc= -0.0403 USER MOD Set 4.1: A 14 THR OG1 : rot 140:sc= 1.05 USER MOD Set 4.2: A 85 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0) USER MOD Single : A 11 ASN : amide:sc=-0.00285 X(o=-0.0029,f=0.45) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.59) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -160:sc= -0.142 (180deg=-0.707) USER MOD Single : A 59 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -156:sc= -3.42! USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= -0.103 (180deg=-0.53) USER MOD Single : A 73 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.011) USER MOD Single : A 76 SER OG : rot 83:sc= 1.24 USER MOD Single : A 77 ASN : amide:sc= 0.895 K(o=0.9,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 84 MET CE :methyl -166:sc= -2.76 (180deg=-3.61) USER MOD Single : A 87 MET CE :methyl 168:sc= -0.49 (180deg=-0.656) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.912 -7.658 3.140 1.00 0.00 N ATOM 55 CA ASN A 11 13.626 -7.406 2.476 1.00 0.00 C ATOM 56 C ASN A 11 12.509 -7.182 3.477 1.00 0.00 C ATOM 57 O ASN A 11 11.822 -8.102 3.909 1.00 0.00 O ATOM 58 CB ASN A 11 13.259 -8.490 1.431 1.00 0.00 C ATOM 59 CG ASN A 11 14.177 -8.503 0.208 1.00 0.00 C ATOM 60 OD1 ASN A 11 15.353 -8.107 0.274 1.00 0.00 O ATOM 61 ND2 ASN A 11 13.679 -8.995 -0.901 1.00 0.00 N ATOM 0 HA ASN A 11 13.751 -6.480 1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.292 -9.469 1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.232 -8.331 1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.260 -9.060 -1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.710 -9.313 -0.928 1.00 0.00 H new ATOM 68 N VAL A 12 12.362 -5.957 3.856 1.00 0.00 N ATOM 69 CA VAL A 12 11.395 -5.559 4.802 1.00 0.00 C ATOM 70 C VAL A 12 10.399 -4.680 4.123 1.00 0.00 C ATOM 71 O VAL A 12 10.745 -3.700 3.460 1.00 0.00 O ATOM 72 CB VAL A 12 12.000 -4.806 6.019 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.904 -4.266 6.911 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.865 -5.716 6.840 1.00 0.00 C ATOM 0 H VAL A 12 12.932 -5.189 3.501 1.00 0.00 H new ATOM 0 HA VAL A 12 10.929 -6.463 5.194 1.00 0.00 H new ATOM 0 HB VAL A 12 12.600 -3.986 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.349 -3.742 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.280 -3.575 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.292 -5.091 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.275 -5.163 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.269 -6.551 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.680 -6.096 6.225 1.00 0.00 H new ATOM 84 N THR A 13 9.215 -5.046 4.274 1.00 0.00 N ATOM 85 CA THR A 13 8.101 -4.385 3.759 1.00 0.00 C ATOM 86 C THR A 13 7.275 -3.923 4.937 1.00 0.00 C ATOM 87 O THR A 13 6.836 -4.732 5.780 1.00 0.00 O ATOM 88 CB THR A 13 7.353 -5.382 2.876 1.00 0.00 C ATOM 89 OG1 THR A 13 8.132 -5.674 1.697 1.00 0.00 O ATOM 90 CG2 THR A 13 5.953 -4.936 2.521 1.00 0.00 C ATOM 0 H THR A 13 8.968 -5.883 4.803 1.00 0.00 H new ATOM 0 HA THR A 13 8.352 -3.514 3.154 1.00 0.00 H new ATOM 0 HB THR A 13 7.226 -6.296 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.648 -6.315 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.479 -5.690 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.371 -4.805 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.998 -3.990 1.981 1.00 0.00 H new ATOM 98 N THR A 14 7.139 -2.649 5.040 1.00 0.00 N ATOM 99 CA THR A 14 6.462 -2.057 6.121 1.00 0.00 C ATOM 100 C THR A 14 4.970 -2.043 5.866 1.00 0.00 C ATOM 101 O THR A 14 4.502 -1.775 4.743 1.00 0.00 O ATOM 102 CB THR A 14 6.952 -0.634 6.323 1.00 0.00 C ATOM 103 OG1 THR A 14 8.394 -0.621 6.290 1.00 0.00 O ATOM 104 CG2 THR A 14 6.460 -0.064 7.654 1.00 0.00 C ATOM 0 H THR A 14 7.504 -1.983 4.359 1.00 0.00 H new ATOM 0 HA THR A 14 6.664 -2.643 7.018 1.00 0.00 H new ATOM 0 HB THR A 14 6.554 -0.011 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.703 0.169 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.827 0.956 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.370 -0.062 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.832 -0.679 8.473 1.00 0.00 H new ATOM 112 N VAL A 15 4.255 -2.346 6.884 1.00 0.00 N ATOM 113 CA VAL A 15 2.844 -2.369 6.875 1.00 0.00 C ATOM 114 C VAL A 15 2.352 -1.362 7.855 1.00 0.00 C ATOM 115 O VAL A 15 2.949 -1.186 8.919 1.00 0.00 O ATOM 116 CB VAL A 15 2.326 -3.763 7.273 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.827 -3.756 7.481 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.680 -4.755 6.207 1.00 0.00 C ATOM 0 H VAL A 15 4.658 -2.596 7.787 1.00 0.00 H new ATOM 0 HA VAL A 15 2.483 -2.138 5.873 1.00 0.00 H new ATOM 0 HB VAL A 15 2.798 -4.044 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.494 -4.755 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.573 -3.053 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.333 -3.454 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.312 -5.741 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.223 -4.455 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.763 -4.792 6.089 1.00 0.00 H new ATOM 128 N LEU A 16 1.324 -0.676 7.509 1.00 0.00 N ATOM 129 CA LEU A 16 0.729 0.201 8.422 1.00 0.00 C ATOM 130 C LEU A 16 -0.712 -0.179 8.590 1.00 0.00 C ATOM 131 O LEU A 16 -1.498 -0.073 7.671 1.00 0.00 O ATOM 132 CB LEU A 16 0.828 1.631 7.986 1.00 0.00 C ATOM 133 CG LEU A 16 0.319 2.609 9.018 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.276 2.731 10.172 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.062 3.922 8.415 1.00 0.00 C ATOM 0 H LEU A 16 0.882 -0.713 6.591 1.00 0.00 H new ATOM 0 HA LEU A 16 1.263 0.117 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.869 1.863 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.263 1.762 7.063 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.624 2.221 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.882 3.442 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.399 1.758 10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.242 3.082 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.304 4.608 9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.985 4.313 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.687 3.821 7.629 1.00 0.00 H new ATOM 147 N ILE A 17 -1.057 -0.567 9.753 1.00 0.00 N ATOM 148 CA ILE A 17 -2.386 -0.977 10.044 1.00 0.00 C ATOM 149 C ILE A 17 -3.088 0.201 10.649 1.00 0.00 C ATOM 150 O ILE A 17 -2.481 0.991 11.368 1.00 0.00 O ATOM 151 CB ILE A 17 -2.369 -2.213 11.037 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.875 -3.481 10.353 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.185 -1.966 12.303 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.359 -3.442 10.062 1.00 0.00 C ATOM 0 H ILE A 17 -0.420 -0.613 10.548 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.908 -1.299 9.143 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.327 -2.345 11.328 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.331 -3.626 9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.657 -4.341 10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.137 -2.846 12.945 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.779 -1.106 12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.223 -1.770 12.034 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.659 -4.370 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.910 -3.327 10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.579 -2.601 9.405 1.00 0.00 H new ATOM 166 N ARG A 18 -4.306 0.380 10.253 1.00 0.00 N ATOM 167 CA ARG A 18 -5.135 1.392 10.803 1.00 0.00 C ATOM 168 C ARG A 18 -6.228 0.707 11.549 1.00 0.00 C ATOM 169 O ARG A 18 -7.138 0.163 10.961 1.00 0.00 O ATOM 170 CB ARG A 18 -5.712 2.326 9.715 1.00 0.00 C ATOM 171 CG ARG A 18 -4.766 3.434 9.239 1.00 0.00 C ATOM 172 CD ARG A 18 -3.512 2.940 8.520 1.00 0.00 C ATOM 173 NE ARG A 18 -3.787 2.332 7.202 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.192 2.708 6.045 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.383 3.766 6.015 1.00 0.00 N ATOM 176 NH2 ARG A 18 -3.420 2.040 4.925 1.00 0.00 N ATOM 0 H ARG A 18 -4.755 -0.181 9.529 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.549 2.029 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.000 1.721 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.622 2.787 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.314 4.098 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.463 4.029 10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.825 3.776 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.007 2.208 9.150 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.472 1.577 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.208 4.299 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.938 4.043 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.048 1.236 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.968 2.329 4.058 1.00 0.00 H new ATOM 190 N ARG A 19 -6.104 0.683 12.830 1.00 0.00 N ATOM 191 CA ARG A 19 -7.060 0.019 13.648 1.00 0.00 C ATOM 192 C ARG A 19 -7.918 1.034 14.383 1.00 0.00 C ATOM 193 O ARG A 19 -7.433 1.712 15.262 1.00 0.00 O ATOM 194 CB ARG A 19 -6.353 -0.917 14.621 1.00 0.00 C ATOM 195 CG ARG A 19 -7.294 -1.655 15.539 1.00 0.00 C ATOM 196 CD ARG A 19 -6.571 -2.681 16.381 1.00 0.00 C ATOM 197 NE ARG A 19 -7.520 -3.468 17.136 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.256 -4.257 18.174 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.089 -4.201 18.769 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.196 -5.079 18.632 1.00 0.00 N ATOM 0 H ARG A 19 -5.338 1.122 13.341 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.717 -0.580 13.018 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.768 -1.642 14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.650 -0.340 15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.799 -0.942 16.190 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.065 -2.149 14.948 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.975 -3.332 15.741 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.880 -2.182 17.060 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.495 -3.412 16.842 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.378 -3.550 18.436 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.892 -4.808 19.564 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.114 -5.102 18.188 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.999 -5.686 19.428 1.00 0.00 H new ATOM 214 N PRO A 20 -9.195 1.170 14.003 1.00 0.00 N ATOM 215 CA PRO A 20 -10.113 2.130 14.629 1.00 0.00 C ATOM 216 C PRO A 20 -10.173 1.991 16.164 1.00 0.00 C ATOM 217 O PRO A 20 -9.878 2.947 16.906 1.00 0.00 O ATOM 218 CB PRO A 20 -11.465 1.778 14.001 1.00 0.00 C ATOM 219 CG PRO A 20 -11.122 1.179 12.689 1.00 0.00 C ATOM 220 CD PRO A 20 -9.847 0.424 12.906 1.00 0.00 C ATOM 0 HA PRO A 20 -9.799 3.160 14.461 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.021 1.077 14.624 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.089 2.663 13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.915 0.516 12.343 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.996 1.949 11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.035 -0.614 13.181 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.230 0.409 12.007 1.00 0.00 H new ATOM 228 N ASP A 21 -10.486 0.809 16.633 1.00 0.00 N ATOM 229 CA ASP A 21 -10.621 0.568 18.047 1.00 0.00 C ATOM 230 C ASP A 21 -10.413 -0.908 18.338 1.00 0.00 C ATOM 231 O ASP A 21 -10.142 -1.692 17.418 1.00 0.00 O ATOM 232 CB ASP A 21 -11.976 1.082 18.595 1.00 0.00 C ATOM 233 CG ASP A 21 -13.188 0.310 18.139 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.558 -0.659 18.815 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.803 0.693 17.127 1.00 0.00 O ATOM 0 H ASP A 21 -10.654 -0.010 16.048 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.850 1.134 18.569 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.941 1.061 19.684 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.097 2.124 18.300 1.00 0.00 H new ATOM 240 N LEU A 22 -10.567 -1.292 19.586 1.00 0.00 N ATOM 241 CA LEU A 22 -10.253 -2.640 20.057 1.00 0.00 C ATOM 242 C LEU A 22 -11.261 -3.680 19.640 1.00 0.00 C ATOM 243 O LEU A 22 -10.995 -4.876 19.696 1.00 0.00 O ATOM 244 CB LEU A 22 -10.073 -2.633 21.559 1.00 0.00 C ATOM 245 CG LEU A 22 -8.876 -1.848 22.045 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.739 -1.951 23.529 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.640 -2.349 21.354 1.00 0.00 C ATOM 0 H LEU A 22 -10.918 -0.675 20.319 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.319 -2.929 19.576 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.972 -2.221 22.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.981 -3.662 21.906 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.016 -0.795 21.803 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.871 -1.378 23.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.635 -1.554 24.006 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.611 -2.996 23.811 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.775 -1.785 21.702 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.499 -3.406 21.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.748 -2.220 20.277 1.00 0.00 H new ATOM 259 N ARG A 23 -12.383 -3.234 19.192 1.00 0.00 N ATOM 260 CA ARG A 23 -13.429 -4.123 18.735 1.00 0.00 C ATOM 261 C ARG A 23 -13.157 -4.560 17.304 1.00 0.00 C ATOM 262 O ARG A 23 -13.814 -5.468 16.767 1.00 0.00 O ATOM 263 CB ARG A 23 -14.778 -3.460 18.875 1.00 0.00 C ATOM 264 CG ARG A 23 -15.105 -3.118 20.315 1.00 0.00 C ATOM 265 CD ARG A 23 -16.341 -2.275 20.411 1.00 0.00 C ATOM 266 NE ARG A 23 -16.193 -0.999 19.691 1.00 0.00 N ATOM 267 CZ ARG A 23 -17.059 0.010 19.761 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.982 0.019 20.705 1.00 0.00 N ATOM 269 NH2 ARG A 23 -16.966 1.035 18.923 1.00 0.00 N ATOM 0 H ARG A 23 -12.615 -2.243 19.126 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.439 -5.018 19.357 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.797 -2.550 18.275 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.548 -4.121 18.477 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.244 -4.036 20.886 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.265 -2.587 20.764 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.189 -2.826 20.003 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.565 -2.077 21.459 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.371 -0.880 19.098 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.030 -0.746 21.378 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.647 0.791 20.761 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.228 1.053 18.220 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.633 1.804 18.982 1.00 0.00 H new ATOM 283 N TYR A 24 -12.200 -3.896 16.683 1.00 0.00 N ATOM 284 CA TYR A 24 -11.788 -4.212 15.339 1.00 0.00 C ATOM 285 C TYR A 24 -10.621 -5.133 15.373 1.00 0.00 C ATOM 286 O TYR A 24 -9.600 -4.809 15.969 1.00 0.00 O ATOM 287 CB TYR A 24 -11.412 -2.958 14.560 1.00 0.00 C ATOM 288 CG TYR A 24 -12.576 -2.215 13.983 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.520 -1.622 14.792 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.732 -2.119 12.609 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.583 -0.945 14.254 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.792 -1.441 12.065 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.714 -0.857 12.890 1.00 0.00 C ATOM 294 OH TYR A 24 -15.786 -0.178 12.348 1.00 0.00 O ATOM 0 H TYR A 24 -11.688 -3.120 17.103 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.630 -4.690 14.837 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.860 -2.288 15.219 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.737 -3.237 13.751 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.421 -1.692 15.865 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.008 -2.585 11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.315 -0.483 14.900 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.899 -1.368 10.993 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.731 -0.207 11.370 1.00 0.00 H new ATOM 304 N GLN A 25 -10.774 -6.279 14.780 1.00 0.00 N ATOM 305 CA GLN A 25 -9.701 -7.221 14.698 1.00 0.00 C ATOM 306 C GLN A 25 -8.814 -6.901 13.532 1.00 0.00 C ATOM 307 O GLN A 25 -9.249 -6.267 12.573 1.00 0.00 O ATOM 308 CB GLN A 25 -10.208 -8.648 14.643 1.00 0.00 C ATOM 309 CG GLN A 25 -10.937 -9.052 15.902 1.00 0.00 C ATOM 310 CD GLN A 25 -10.083 -8.869 17.140 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.094 -7.810 17.767 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.346 -9.881 17.497 1.00 0.00 N ATOM 0 H GLN A 25 -11.642 -6.585 14.342 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.107 -7.137 15.608 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.876 -8.760 13.789 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.367 -9.323 14.481 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.847 -8.460 15.999 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.243 -10.095 15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.364 -10.743 16.951 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.751 -9.812 18.322 1.00 0.00 H new ATOM 321 N LEU A 26 -7.595 -7.370 13.614 1.00 0.00 N ATOM 322 CA LEU A 26 -6.531 -7.025 12.684 1.00 0.00 C ATOM 323 C LEU A 26 -6.878 -7.449 11.261 1.00 0.00 C ATOM 324 O LEU A 26 -6.690 -6.687 10.317 1.00 0.00 O ATOM 325 CB LEU A 26 -5.182 -7.654 13.118 1.00 0.00 C ATOM 326 CG LEU A 26 -4.756 -7.566 14.622 1.00 0.00 C ATOM 327 CD1 LEU A 26 -5.100 -6.228 15.266 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.287 -8.742 15.446 1.00 0.00 C ATOM 0 H LEU A 26 -7.300 -8.018 14.344 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.426 -5.940 12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.207 -8.709 12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.395 -7.188 12.525 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.668 -7.635 14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.779 -6.232 16.308 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.591 -5.426 14.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.177 -6.068 15.219 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.965 -8.635 16.482 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.376 -8.753 15.404 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.899 -9.676 15.040 1.00 0.00 H new ATOM 340 N GLY A 27 -7.400 -8.643 11.113 1.00 0.00 N ATOM 341 CA GLY A 27 -7.782 -9.093 9.806 1.00 0.00 C ATOM 342 C GLY A 27 -6.753 -9.977 9.153 1.00 0.00 C ATOM 343 O GLY A 27 -6.679 -10.035 7.935 1.00 0.00 O ATOM 0 H GLY A 27 -7.566 -9.307 11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.724 -9.637 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.962 -8.226 9.170 1.00 0.00 H new ATOM 347 N PHE A 28 -5.953 -10.648 9.936 1.00 0.00 N ATOM 348 CA PHE A 28 -4.992 -11.588 9.402 1.00 0.00 C ATOM 349 C PHE A 28 -4.734 -12.652 10.438 1.00 0.00 C ATOM 350 O PHE A 28 -5.156 -12.521 11.578 1.00 0.00 O ATOM 351 CB PHE A 28 -3.663 -10.910 8.929 1.00 0.00 C ATOM 352 CG PHE A 28 -2.768 -10.363 10.022 1.00 0.00 C ATOM 353 CD1 PHE A 28 -3.014 -9.131 10.598 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.665 -11.086 10.452 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.184 -8.629 11.580 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.834 -10.591 11.436 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.097 -9.361 12.002 1.00 0.00 C ATOM 0 H PHE A 28 -5.944 -10.564 10.952 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.416 -12.037 8.504 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.093 -11.638 8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.916 -10.094 8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.867 -8.553 10.275 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.454 -12.049 10.011 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.387 -7.663 12.017 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.020 -11.165 11.762 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.451 -8.973 12.775 1.00 0.00 H new ATOM 367 N SER A 29 -4.091 -13.695 10.040 1.00 0.00 N ATOM 368 CA SER A 29 -3.785 -14.788 10.909 1.00 0.00 C ATOM 369 C SER A 29 -2.283 -15.012 10.870 1.00 0.00 C ATOM 370 O SER A 29 -1.689 -15.025 9.782 1.00 0.00 O ATOM 371 CB SER A 29 -4.547 -15.996 10.408 1.00 0.00 C ATOM 372 OG SER A 29 -5.926 -15.647 10.266 1.00 0.00 O ATOM 0 H SER A 29 -3.755 -13.818 9.085 1.00 0.00 H new ATOM 0 HA SER A 29 -4.075 -14.594 11.942 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.142 -16.328 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.438 -16.826 11.106 1.00 0.00 H new ATOM 0 HG SER A 29 -6.428 -16.423 9.940 1.00 0.00 H new ATOM 378 N VAL A 30 -1.668 -15.179 12.011 1.00 0.00 N ATOM 379 CA VAL A 30 -0.243 -15.251 12.068 1.00 0.00 C ATOM 380 C VAL A 30 0.186 -16.547 12.783 1.00 0.00 C ATOM 381 O VAL A 30 -0.437 -16.956 13.757 1.00 0.00 O ATOM 382 CB VAL A 30 0.324 -13.970 12.793 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.442 -14.101 14.305 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.603 -13.494 12.181 1.00 0.00 C ATOM 0 H VAL A 30 -2.138 -15.267 12.912 1.00 0.00 H new ATOM 0 HA VAL A 30 0.168 -15.276 11.059 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.433 -13.204 12.629 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.840 -13.175 14.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.542 -14.297 14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.113 -14.925 14.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.955 -12.610 12.714 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.354 -14.281 12.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.434 -13.243 11.134 1.00 0.00 H new ATOM 394 N GLN A 31 1.203 -17.199 12.265 1.00 0.00 N ATOM 395 CA GLN A 31 1.766 -18.388 12.869 1.00 0.00 C ATOM 396 C GLN A 31 3.103 -18.036 13.531 1.00 0.00 C ATOM 397 O GLN A 31 4.148 -17.960 12.883 1.00 0.00 O ATOM 398 CB GLN A 31 1.887 -19.562 11.847 1.00 0.00 C ATOM 399 CG GLN A 31 2.658 -19.229 10.568 1.00 0.00 C ATOM 400 CD GLN A 31 2.709 -20.368 9.575 1.00 0.00 C ATOM 401 OE1 GLN A 31 1.833 -20.506 8.726 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.741 -21.156 9.633 1.00 0.00 N ATOM 0 H GLN A 31 1.668 -16.916 11.403 1.00 0.00 H new ATOM 0 HA GLN A 31 1.088 -18.749 13.642 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.375 -20.403 12.339 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.884 -19.891 11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.197 -18.364 10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.676 -18.943 10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.451 -21.014 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.841 -21.916 8.960 1.00 0.00 H new ATOM 411 N ASN A 32 3.028 -17.713 14.816 1.00 0.00 N ATOM 412 CA ASN A 32 4.201 -17.321 15.653 1.00 0.00 C ATOM 413 C ASN A 32 4.954 -16.106 15.130 1.00 0.00 C ATOM 414 O ASN A 32 6.097 -15.861 15.508 1.00 0.00 O ATOM 415 CB ASN A 32 5.159 -18.495 15.902 1.00 0.00 C ATOM 416 CG ASN A 32 4.543 -19.566 16.765 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.679 -19.288 17.590 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.965 -20.777 16.597 1.00 0.00 N ATOM 0 H ASN A 32 2.148 -17.710 15.332 1.00 0.00 H new ATOM 0 HA ASN A 32 3.771 -17.026 16.610 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.455 -18.928 14.946 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.066 -18.125 16.379 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.578 -21.535 17.160 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.685 -20.974 15.902 1.00 0.00 H new ATOM 425 N GLY A 33 4.293 -15.318 14.309 1.00 0.00 N ATOM 426 CA GLY A 33 4.916 -14.132 13.769 1.00 0.00 C ATOM 427 C GLY A 33 4.920 -14.130 12.263 1.00 0.00 C ATOM 428 O GLY A 33 5.214 -13.126 11.639 1.00 0.00 O ATOM 0 H GLY A 33 3.333 -15.476 14.004 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.389 -13.249 14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.941 -14.063 14.134 1.00 0.00 H new ATOM 432 N ILE A 34 4.570 -15.248 11.673 1.00 0.00 N ATOM 433 CA ILE A 34 4.547 -15.356 10.222 1.00 0.00 C ATOM 434 C ILE A 34 3.112 -15.361 9.735 1.00 0.00 C ATOM 435 O ILE A 34 2.336 -16.207 10.117 1.00 0.00 O ATOM 436 CB ILE A 34 5.312 -16.616 9.674 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.830 -16.597 10.011 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.144 -16.703 8.169 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.198 -16.778 11.475 1.00 0.00 C ATOM 0 H ILE A 34 4.297 -16.097 12.168 1.00 0.00 H new ATOM 0 HA ILE A 34 5.076 -14.487 9.832 1.00 0.00 H new ATOM 0 HB ILE A 34 4.876 -17.486 10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.318 -17.384 9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.244 -15.649 9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.676 -17.577 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.085 -16.790 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.550 -15.804 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.282 -16.747 11.584 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.751 -15.977 12.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.825 -17.740 11.828 1.00 0.00 H new ATOM 451 N ILE A 35 2.766 -14.384 8.949 1.00 0.00 N ATOM 452 CA ILE A 35 1.435 -14.241 8.400 1.00 0.00 C ATOM 453 C ILE A 35 1.061 -15.456 7.559 1.00 0.00 C ATOM 454 O ILE A 35 1.672 -15.732 6.521 1.00 0.00 O ATOM 455 CB ILE A 35 1.341 -12.956 7.571 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.669 -11.777 8.487 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.076 -12.805 6.981 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.994 -10.517 7.760 1.00 0.00 C ATOM 0 H ILE A 35 3.409 -13.646 8.662 1.00 0.00 H new ATOM 0 HA ILE A 35 0.726 -14.175 9.225 1.00 0.00 H new ATOM 0 HB ILE A 35 2.046 -12.989 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.820 -11.595 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.513 -12.047 9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.130 -11.888 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.296 -13.659 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.804 -12.761 7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.215 -9.728 8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.862 -10.679 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.143 -10.221 7.147 1.00 0.00 H new ATOM 470 N CYS A 36 0.076 -16.167 8.029 1.00 0.00 N ATOM 471 CA CYS A 36 -0.362 -17.395 7.431 1.00 0.00 C ATOM 472 C CYS A 36 -1.526 -17.141 6.487 1.00 0.00 C ATOM 473 O CYS A 36 -1.624 -17.758 5.429 1.00 0.00 O ATOM 474 CB CYS A 36 -0.778 -18.367 8.540 1.00 0.00 C ATOM 475 SG CYS A 36 -1.325 -19.993 7.987 1.00 0.00 S ATOM 0 H CYS A 36 -0.457 -15.902 8.858 1.00 0.00 H new ATOM 0 HA CYS A 36 0.454 -17.828 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.065 -18.498 9.218 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.582 -17.910 9.116 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.332 -20.830 8.050 1.00 0.00 H new ATOM 481 N SER A 37 -2.404 -16.236 6.860 1.00 0.00 N ATOM 482 CA SER A 37 -3.572 -15.939 6.061 1.00 0.00 C ATOM 483 C SER A 37 -3.954 -14.487 6.268 1.00 0.00 C ATOM 484 O SER A 37 -3.668 -13.916 7.329 1.00 0.00 O ATOM 485 CB SER A 37 -4.743 -16.835 6.487 1.00 0.00 C ATOM 486 OG SER A 37 -4.369 -18.209 6.522 1.00 0.00 O ATOM 0 H SER A 37 -2.330 -15.690 7.718 1.00 0.00 H new ATOM 0 HA SER A 37 -3.347 -16.122 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.096 -16.529 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.574 -16.702 5.795 1.00 0.00 H new ATOM 0 HG SER A 37 -5.138 -18.750 6.798 1.00 0.00 H new ATOM 492 N LEU A 38 -4.553 -13.896 5.277 1.00 0.00 N ATOM 493 CA LEU A 38 -5.022 -12.543 5.347 1.00 0.00 C ATOM 494 C LEU A 38 -6.513 -12.539 5.089 1.00 0.00 C ATOM 495 O LEU A 38 -6.994 -13.257 4.207 1.00 0.00 O ATOM 496 CB LEU A 38 -4.288 -11.687 4.305 1.00 0.00 C ATOM 497 CG LEU A 38 -4.693 -10.217 4.203 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.541 -9.536 5.531 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.836 -9.514 3.189 1.00 0.00 C ATOM 0 H LEU A 38 -4.733 -14.349 4.381 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.824 -12.122 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.221 -11.730 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.432 -12.146 3.327 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.737 -10.172 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.834 -8.490 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.177 -10.028 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.501 -9.595 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.133 -8.467 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.790 -9.576 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.962 -9.988 2.215 1.00 0.00 H new ATOM 511 N MET A 39 -7.249 -11.790 5.872 1.00 0.00 N ATOM 512 CA MET A 39 -8.672 -11.697 5.691 1.00 0.00 C ATOM 513 C MET A 39 -8.962 -10.668 4.641 1.00 0.00 C ATOM 514 O MET A 39 -8.621 -9.484 4.797 1.00 0.00 O ATOM 515 CB MET A 39 -9.390 -11.370 7.001 1.00 0.00 C ATOM 516 CG MET A 39 -10.900 -11.221 6.864 1.00 0.00 C ATOM 517 SD MET A 39 -11.719 -10.910 8.445 1.00 0.00 S ATOM 518 CE MET A 39 -11.343 -12.431 9.332 1.00 0.00 C ATOM 0 H MET A 39 -6.882 -11.234 6.644 1.00 0.00 H new ATOM 0 HA MET A 39 -9.051 -12.665 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.178 -12.157 7.725 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.980 -10.445 7.406 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.119 -10.402 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.311 -12.127 6.419 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.047 -12.556 10.155 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.426 -13.279 8.652 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.328 -12.380 9.727 1.00 0.00 H new ATOM 528 N ARG A 40 -9.573 -11.116 3.582 1.00 0.00 N ATOM 529 CA ARG A 40 -9.840 -10.287 2.446 1.00 0.00 C ATOM 530 C ARG A 40 -10.874 -9.252 2.819 1.00 0.00 C ATOM 531 O ARG A 40 -11.949 -9.580 3.328 1.00 0.00 O ATOM 532 CB ARG A 40 -10.312 -11.152 1.277 1.00 0.00 C ATOM 533 CG ARG A 40 -10.058 -10.560 -0.107 1.00 0.00 C ATOM 534 CD ARG A 40 -10.966 -9.396 -0.461 1.00 0.00 C ATOM 535 NE ARG A 40 -12.344 -9.824 -0.715 1.00 0.00 N ATOM 536 CZ ARG A 40 -12.886 -9.890 -1.939 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.118 -9.696 -3.011 1.00 0.00 N ATOM 538 NH2 ARG A 40 -14.169 -10.200 -2.091 1.00 0.00 N ATOM 0 H ARG A 40 -9.902 -12.076 3.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.932 -9.770 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.816 -12.121 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.381 -11.334 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.021 -10.228 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.183 -11.344 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.957 -8.671 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.576 -8.889 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.922 -10.086 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.124 -9.499 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.525 -9.745 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.748 -10.390 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.575 -10.248 -3.026 1.00 0.00 H new ATOM 552 N GLY A 41 -10.533 -8.020 2.595 1.00 0.00 N ATOM 553 CA GLY A 41 -11.397 -6.934 2.920 1.00 0.00 C ATOM 554 C GLY A 41 -11.186 -6.426 4.332 1.00 0.00 C ATOM 555 O GLY A 41 -11.869 -5.499 4.766 1.00 0.00 O ATOM 0 H GLY A 41 -9.644 -7.742 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.231 -6.119 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.433 -7.251 2.803 1.00 0.00 H new ATOM 559 N GLY A 42 -10.254 -7.030 5.051 1.00 0.00 N ATOM 560 CA GLY A 42 -9.983 -6.617 6.414 1.00 0.00 C ATOM 561 C GLY A 42 -9.001 -5.466 6.477 1.00 0.00 C ATOM 562 O GLY A 42 -8.379 -5.114 5.462 1.00 0.00 O ATOM 0 H GLY A 42 -9.678 -7.802 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.916 -6.324 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.586 -7.462 6.976 1.00 0.00 H new ATOM 566 N ILE A 43 -8.824 -4.898 7.662 1.00 0.00 N ATOM 567 CA ILE A 43 -7.900 -3.778 7.843 1.00 0.00 C ATOM 568 C ILE A 43 -6.474 -4.130 7.549 1.00 0.00 C ATOM 569 O ILE A 43 -5.722 -3.284 7.114 1.00 0.00 O ATOM 570 CB ILE A 43 -7.987 -3.056 9.207 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.507 -3.962 10.334 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.754 -1.763 9.091 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.553 -3.280 11.693 1.00 0.00 C ATOM 0 H ILE A 43 -9.305 -5.191 8.513 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.252 -3.068 7.094 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.968 -2.799 9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.508 -4.309 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.871 -4.845 10.401 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.799 -1.278 10.066 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.253 -1.105 8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.766 -1.970 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.930 -3.980 12.439 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.550 -2.957 11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.212 -2.413 11.643 1.00 0.00 H new ATOM 585 N ALA A 44 -6.100 -5.369 7.788 1.00 0.00 N ATOM 586 CA ALA A 44 -4.760 -5.833 7.498 1.00 0.00 C ATOM 587 C ALA A 44 -4.474 -5.735 6.008 1.00 0.00 C ATOM 588 O ALA A 44 -3.385 -5.313 5.596 1.00 0.00 O ATOM 589 CB ALA A 44 -4.590 -7.235 8.003 1.00 0.00 C ATOM 0 H ALA A 44 -6.713 -6.080 8.187 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.038 -5.197 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.580 -7.581 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.754 -7.256 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.312 -7.888 7.513 1.00 0.00 H new ATOM 595 N GLU A 45 -5.468 -6.065 5.210 1.00 0.00 N ATOM 596 CA GLU A 45 -5.374 -5.951 3.773 1.00 0.00 C ATOM 597 C GLU A 45 -5.193 -4.482 3.427 1.00 0.00 C ATOM 598 O GLU A 45 -4.323 -4.109 2.652 1.00 0.00 O ATOM 599 CB GLU A 45 -6.647 -6.482 3.135 1.00 0.00 C ATOM 600 CG GLU A 45 -6.661 -6.406 1.629 1.00 0.00 C ATOM 601 CD GLU A 45 -7.987 -6.777 1.081 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.246 -7.977 0.890 1.00 0.00 O ATOM 603 OE2 GLU A 45 -8.817 -5.875 0.842 1.00 0.00 O ATOM 0 H GLU A 45 -6.365 -6.420 5.542 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.530 -6.531 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.786 -7.520 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.497 -5.921 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.404 -5.395 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.899 -7.071 1.223 1.00 0.00 H new ATOM 610 N ARG A 46 -5.977 -3.654 4.090 1.00 0.00 N ATOM 611 CA ARG A 46 -5.928 -2.196 3.916 1.00 0.00 C ATOM 612 C ARG A 46 -4.676 -1.587 4.537 1.00 0.00 C ATOM 613 O ARG A 46 -4.434 -0.394 4.413 1.00 0.00 O ATOM 614 CB ARG A 46 -7.170 -1.536 4.504 1.00 0.00 C ATOM 615 CG ARG A 46 -8.431 -1.888 3.769 1.00 0.00 C ATOM 616 CD ARG A 46 -9.643 -1.207 4.358 1.00 0.00 C ATOM 617 NE ARG A 46 -10.806 -1.401 3.498 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.896 -0.625 3.494 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.097 0.277 4.463 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.803 -0.781 2.546 1.00 0.00 N ATOM 0 H ARG A 46 -6.672 -3.964 4.769 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.896 -2.008 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.271 -1.832 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.039 -0.454 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.330 -1.604 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.575 -2.968 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.846 -1.608 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.446 -0.142 4.479 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.786 -2.189 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.415 0.378 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.932 0.863 4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.670 -1.489 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.637 -0.193 2.536 1.00 0.00 H new ATOM 634 N GLY A 47 -3.913 -2.399 5.224 1.00 0.00 N ATOM 635 CA GLY A 47 -2.692 -1.953 5.827 1.00 0.00 C ATOM 636 C GLY A 47 -1.493 -2.309 4.977 1.00 0.00 C ATOM 637 O GLY A 47 -0.399 -1.732 5.123 1.00 0.00 O ATOM 0 H GLY A 47 -4.124 -3.385 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.729 -0.873 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.586 -2.403 6.814 1.00 0.00 H new ATOM 641 N GLY A 48 -1.696 -3.247 4.073 1.00 0.00 N ATOM 642 CA GLY A 48 -0.636 -3.680 3.211 1.00 0.00 C ATOM 643 C GLY A 48 -0.007 -4.973 3.675 1.00 0.00 C ATOM 644 O GLY A 48 1.118 -5.301 3.287 1.00 0.00 O ATOM 0 H GLY A 48 -2.588 -3.718 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.023 -3.810 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.128 -2.904 3.162 1.00 0.00 H new ATOM 648 N VAL A 49 -0.720 -5.708 4.502 1.00 0.00 N ATOM 649 CA VAL A 49 -0.258 -6.996 4.982 1.00 0.00 C ATOM 650 C VAL A 49 -0.162 -7.993 3.810 1.00 0.00 C ATOM 651 O VAL A 49 -0.926 -7.908 2.839 1.00 0.00 O ATOM 652 CB VAL A 49 -1.197 -7.523 6.114 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.934 -8.966 6.481 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.041 -6.675 7.356 1.00 0.00 C ATOM 0 H VAL A 49 -1.634 -5.432 4.861 1.00 0.00 H new ATOM 0 HA VAL A 49 0.739 -6.885 5.408 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.212 -7.458 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.619 -9.271 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.087 -9.598 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.093 -9.071 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.700 -7.051 8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.007 -6.720 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.303 -5.642 7.127 1.00 0.00 H new ATOM 664 N ARG A 50 0.813 -8.866 3.884 1.00 0.00 N ATOM 665 CA ARG A 50 1.061 -9.881 2.893 1.00 0.00 C ATOM 666 C ARG A 50 1.368 -11.163 3.584 1.00 0.00 C ATOM 667 O ARG A 50 2.081 -11.184 4.585 1.00 0.00 O ATOM 668 CB ARG A 50 2.210 -9.471 1.961 1.00 0.00 C ATOM 669 CG ARG A 50 1.824 -8.418 0.946 1.00 0.00 C ATOM 670 CD ARG A 50 1.023 -9.029 -0.189 1.00 0.00 C ATOM 671 NE ARG A 50 0.458 -8.026 -1.101 1.00 0.00 N ATOM 672 CZ ARG A 50 0.995 -7.637 -2.268 1.00 0.00 C ATOM 673 NH1 ARG A 50 2.291 -7.818 -2.518 1.00 0.00 N ATOM 674 NH2 ARG A 50 0.249 -6.977 -3.132 1.00 0.00 N ATOM 0 H ARG A 50 1.475 -8.889 4.660 1.00 0.00 H new ATOM 0 HA ARG A 50 0.173 -10.006 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.038 -9.096 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.572 -10.354 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.238 -7.637 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.721 -7.943 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.664 -9.706 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.214 -9.629 0.227 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.419 -7.586 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.889 -8.257 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.685 -7.517 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.724 -6.768 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.645 -6.676 -4.022 1.00 0.00 H new ATOM 688 N VAL A 51 0.834 -12.193 3.061 1.00 0.00 N ATOM 689 CA VAL A 51 0.962 -13.521 3.593 1.00 0.00 C ATOM 690 C VAL A 51 2.341 -14.077 3.266 1.00 0.00 C ATOM 691 O VAL A 51 2.924 -13.720 2.241 1.00 0.00 O ATOM 692 CB VAL A 51 -0.163 -14.397 2.995 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.006 -15.867 3.316 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.501 -13.918 3.490 1.00 0.00 C ATOM 0 H VAL A 51 0.268 -12.151 2.214 1.00 0.00 H new ATOM 0 HA VAL A 51 0.863 -13.513 4.678 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.096 -14.296 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.827 -16.427 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.941 -16.228 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.019 -16.007 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.290 -14.539 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.532 -13.985 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.652 -12.882 3.186 1.00 0.00 H new ATOM 704 N GLY A 52 2.874 -14.916 4.143 1.00 0.00 N ATOM 705 CA GLY A 52 4.199 -15.470 3.927 1.00 0.00 C ATOM 706 C GLY A 52 5.229 -14.476 4.347 1.00 0.00 C ATOM 707 O GLY A 52 6.330 -14.409 3.821 1.00 0.00 O ATOM 0 H GLY A 52 2.415 -15.224 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.316 -16.393 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.331 -15.724 2.875 1.00 0.00 H new ATOM 711 N HIS A 53 4.838 -13.668 5.276 1.00 0.00 N ATOM 712 CA HIS A 53 5.662 -12.633 5.792 1.00 0.00 C ATOM 713 C HIS A 53 5.845 -12.780 7.275 1.00 0.00 C ATOM 714 O HIS A 53 4.899 -13.056 7.993 1.00 0.00 O ATOM 715 CB HIS A 53 5.065 -11.261 5.487 1.00 0.00 C ATOM 716 CG HIS A 53 5.385 -10.699 4.129 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.696 -9.364 3.917 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.443 -11.286 2.915 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.931 -9.174 2.638 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.786 -10.319 2.011 1.00 0.00 N ATOM 0 H HIS A 53 3.914 -13.713 5.706 1.00 0.00 H new ATOM 0 HA HIS A 53 6.634 -12.715 5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.982 -11.326 5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.413 -10.557 6.243 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.736 -8.644 4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.254 -12.327 2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.199 -8.234 2.179 1.00 0.00 H new ATOM 729 N ARG A 54 7.057 -12.600 7.726 1.00 0.00 N ATOM 730 CA ARG A 54 7.346 -12.628 9.130 1.00 0.00 C ATOM 731 C ARG A 54 7.297 -11.225 9.614 1.00 0.00 C ATOM 732 O ARG A 54 7.984 -10.358 9.063 1.00 0.00 O ATOM 733 CB ARG A 54 8.738 -13.218 9.441 1.00 0.00 C ATOM 734 CG ARG A 54 9.126 -13.074 10.918 1.00 0.00 C ATOM 735 CD ARG A 54 10.548 -13.534 11.210 1.00 0.00 C ATOM 736 NE ARG A 54 10.726 -14.976 11.085 1.00 0.00 N ATOM 737 CZ ARG A 54 11.579 -15.702 11.825 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.382 -15.118 12.713 1.00 0.00 N ATOM 739 NH2 ARG A 54 11.636 -17.005 11.649 1.00 0.00 N ATOM 0 H ARG A 54 7.868 -12.431 7.131 1.00 0.00 H new ATOM 0 HA ARG A 54 6.614 -13.266 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.750 -14.273 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.485 -12.720 8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.020 -12.031 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.431 -13.651 11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.233 -13.030 10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.821 -13.228 12.220 1.00 0.00 H new ATOM 0 HE ARG A 54 10.165 -15.466 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.354 -14.106 12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.025 -15.683 13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.036 -17.453 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.280 -17.567 12.205 1.00 0.00 H new ATOM 753 N ILE A 55 6.479 -10.976 10.569 1.00 0.00 N ATOM 754 CA ILE A 55 6.427 -9.681 11.153 1.00 0.00 C ATOM 755 C ILE A 55 7.574 -9.548 12.115 1.00 0.00 C ATOM 756 O ILE A 55 7.720 -10.342 13.039 1.00 0.00 O ATOM 757 CB ILE A 55 5.132 -9.418 11.903 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.933 -9.692 11.014 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.109 -7.969 12.375 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.650 -9.380 11.694 1.00 0.00 C ATOM 0 H ILE A 55 5.830 -11.655 10.968 1.00 0.00 H new ATOM 0 HA ILE A 55 6.486 -8.954 10.343 1.00 0.00 H new ATOM 0 HB ILE A 55 5.079 -10.085 12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.014 -9.098 10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.938 -10.739 10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.181 -7.776 12.914 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.957 -7.788 13.036 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.173 -7.305 11.513 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.820 -9.591 11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.555 -9.993 12.590 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.632 -8.326 11.972 1.00 0.00 H new ATOM 772 N ILE A 56 8.400 -8.587 11.877 1.00 0.00 N ATOM 773 CA ILE A 56 9.525 -8.373 12.702 1.00 0.00 C ATOM 774 C ILE A 56 9.317 -7.255 13.687 1.00 0.00 C ATOM 775 O ILE A 56 10.041 -7.158 14.682 1.00 0.00 O ATOM 776 CB ILE A 56 10.819 -8.172 11.909 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.779 -6.882 11.127 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.026 -9.352 10.963 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.076 -6.555 10.493 1.00 0.00 C ATOM 0 H ILE A 56 8.309 -7.930 11.102 1.00 0.00 H new ATOM 0 HA ILE A 56 9.640 -9.294 13.273 1.00 0.00 H new ATOM 0 HB ILE A 56 11.652 -8.116 12.610 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.011 -6.953 10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.489 -6.068 11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.947 -9.209 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.094 -10.274 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.184 -9.417 10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.987 -5.617 9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.842 -6.454 11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.356 -7.353 9.805 1.00 0.00 H new ATOM 791 N GLU A 57 8.301 -6.452 13.467 1.00 0.00 N ATOM 792 CA GLU A 57 8.092 -5.302 14.320 1.00 0.00 C ATOM 793 C GLU A 57 6.669 -4.914 14.248 1.00 0.00 C ATOM 794 O GLU A 57 6.074 -5.015 13.196 1.00 0.00 O ATOM 795 CB GLU A 57 8.986 -4.132 13.879 1.00 0.00 C ATOM 796 CG GLU A 57 8.934 -2.910 14.782 1.00 0.00 C ATOM 797 CD GLU A 57 9.836 -1.795 14.301 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.080 -1.979 14.277 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.330 -0.715 13.935 1.00 0.00 O ATOM 0 H GLU A 57 7.617 -6.569 12.719 1.00 0.00 H new ATOM 0 HA GLU A 57 8.356 -5.556 15.347 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.017 -4.482 13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.698 -3.833 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.908 -2.545 14.836 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.224 -3.197 15.793 1.00 0.00 H new ATOM 806 N ILE A 58 6.126 -4.526 15.364 1.00 0.00 N ATOM 807 CA ILE A 58 4.764 -4.087 15.473 1.00 0.00 C ATOM 808 C ILE A 58 4.731 -2.927 16.422 1.00 0.00 C ATOM 809 O ILE A 58 5.296 -3.009 17.503 1.00 0.00 O ATOM 810 CB ILE A 58 3.856 -5.183 16.066 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.826 -6.412 15.174 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.439 -4.639 16.264 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.270 -7.628 15.851 1.00 0.00 C ATOM 0 H ILE A 58 6.632 -4.505 16.249 1.00 0.00 H new ATOM 0 HA ILE A 58 4.406 -3.830 14.476 1.00 0.00 H new ATOM 0 HB ILE A 58 4.265 -5.478 17.032 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.229 -6.194 14.288 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.838 -6.627 14.831 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.805 -5.420 16.683 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.467 -3.789 16.946 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.034 -4.320 15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.279 -8.467 15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.880 -7.871 16.721 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.246 -7.431 16.169 1.00 0.00 H new ATOM 825 N ASN A 59 4.162 -1.832 15.977 1.00 0.00 N ATOM 826 CA ASN A 59 3.892 -0.650 16.806 1.00 0.00 C ATOM 827 C ASN A 59 5.203 0.015 17.269 1.00 0.00 C ATOM 828 O ASN A 59 5.217 0.886 18.139 1.00 0.00 O ATOM 829 CB ASN A 59 2.980 -1.046 18.002 1.00 0.00 C ATOM 830 CG ASN A 59 2.318 0.121 18.713 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.854 0.682 19.668 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.143 0.474 18.266 1.00 0.00 N ATOM 0 H ASN A 59 3.862 -1.722 15.008 1.00 0.00 H new ATOM 0 HA ASN A 59 3.362 0.092 16.209 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.204 -1.720 17.641 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.575 -1.603 18.725 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.637 1.239 18.711 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.731 -0.016 17.471 1.00 0.00 H new ATOM 839 N GLY A 60 6.291 -0.365 16.638 1.00 0.00 N ATOM 840 CA GLY A 60 7.573 0.190 16.980 1.00 0.00 C ATOM 841 C GLY A 60 8.415 -0.747 17.816 1.00 0.00 C ATOM 842 O GLY A 60 9.554 -0.430 18.149 1.00 0.00 O ATOM 0 H GLY A 60 6.310 -1.055 15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.112 0.437 16.065 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.426 1.122 17.525 1.00 0.00 H new ATOM 846 N GLN A 61 7.874 -1.903 18.153 1.00 0.00 N ATOM 847 CA GLN A 61 8.610 -2.853 18.942 1.00 0.00 C ATOM 848 C GLN A 61 8.868 -4.107 18.156 1.00 0.00 C ATOM 849 O GLN A 61 7.974 -4.627 17.480 1.00 0.00 O ATOM 850 CB GLN A 61 7.961 -3.096 20.325 1.00 0.00 C ATOM 851 CG GLN A 61 6.552 -3.670 20.317 1.00 0.00 C ATOM 852 CD GLN A 61 5.908 -3.600 21.689 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.232 -2.626 22.020 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.126 -4.598 22.498 1.00 0.00 N ATOM 0 H GLN A 61 6.934 -2.199 17.891 1.00 0.00 H new ATOM 0 HA GLN A 61 9.587 -2.427 19.171 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.603 -3.772 20.890 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.942 -2.149 20.865 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.940 -3.122 19.600 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.584 -4.707 19.983 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.691 -5.390 22.191 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.731 -4.588 23.439 1.00 0.00 H new ATOM 863 N SER A 62 10.107 -4.527 18.166 1.00 0.00 N ATOM 864 CA SER A 62 10.547 -5.685 17.447 1.00 0.00 C ATOM 865 C SER A 62 9.981 -6.939 18.096 1.00 0.00 C ATOM 866 O SER A 62 10.407 -7.339 19.176 1.00 0.00 O ATOM 867 CB SER A 62 12.067 -5.711 17.462 1.00 0.00 C ATOM 868 OG SER A 62 12.584 -4.439 17.065 1.00 0.00 O ATOM 0 H SER A 62 10.850 -4.061 18.686 1.00 0.00 H new ATOM 0 HA SER A 62 10.195 -5.649 16.416 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.424 -5.962 18.461 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.432 -6.487 16.789 1.00 0.00 H new ATOM 0 HG SER A 62 13.564 -4.465 17.079 1.00 0.00 H new ATOM 874 N VAL A 63 9.033 -7.564 17.429 1.00 0.00 N ATOM 875 CA VAL A 63 8.347 -8.691 17.973 1.00 0.00 C ATOM 876 C VAL A 63 8.888 -9.959 17.361 1.00 0.00 C ATOM 877 O VAL A 63 8.352 -11.052 17.539 1.00 0.00 O ATOM 878 CB VAL A 63 6.848 -8.553 17.716 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.353 -7.231 18.319 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.565 -8.619 16.226 1.00 0.00 C ATOM 0 H VAL A 63 8.725 -7.296 16.494 1.00 0.00 H new ATOM 0 HA VAL A 63 8.507 -8.735 19.050 1.00 0.00 H new ATOM 0 HB VAL A 63 6.314 -9.375 18.191 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.283 -7.127 18.139 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.542 -7.227 19.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.882 -6.399 17.855 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.493 -8.520 16.054 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.090 -7.809 15.720 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.908 -9.576 15.833 1.00 0.00 H new ATOM 890 N VAL A 64 10.006 -9.806 16.707 1.00 0.00 N ATOM 891 CA VAL A 64 10.654 -10.878 16.012 1.00 0.00 C ATOM 892 C VAL A 64 11.314 -11.851 17.011 1.00 0.00 C ATOM 893 O VAL A 64 11.675 -12.974 16.665 1.00 0.00 O ATOM 894 CB VAL A 64 11.681 -10.307 15.010 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.981 -9.872 15.658 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.878 -11.226 13.843 1.00 0.00 C ATOM 0 H VAL A 64 10.499 -8.916 16.642 1.00 0.00 H new ATOM 0 HA VAL A 64 9.911 -11.444 15.450 1.00 0.00 H new ATOM 0 HB VAL A 64 11.252 -9.385 14.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.655 -9.482 14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.778 -9.095 16.395 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.446 -10.726 16.150 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.607 -10.793 13.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.241 -12.191 14.197 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.929 -11.364 13.324 1.00 0.00 H new ATOM 906 N ALA A 65 11.427 -11.399 18.246 1.00 0.00 N ATOM 907 CA ALA A 65 11.978 -12.180 19.331 1.00 0.00 C ATOM 908 C ALA A 65 10.967 -12.210 20.476 1.00 0.00 C ATOM 909 O ALA A 65 11.293 -12.475 21.631 1.00 0.00 O ATOM 910 CB ALA A 65 13.288 -11.564 19.782 1.00 0.00 C ATOM 0 H ALA A 65 11.133 -10.463 18.525 1.00 0.00 H new ATOM 0 HA ALA A 65 12.175 -13.201 19.004 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.704 -12.152 20.600 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.991 -11.553 18.949 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.112 -10.543 20.122 1.00 0.00 H new ATOM 916 N THR A 66 9.742 -11.925 20.134 1.00 0.00 N ATOM 917 CA THR A 66 8.652 -11.902 21.033 1.00 0.00 C ATOM 918 C THR A 66 7.865 -13.213 20.852 1.00 0.00 C ATOM 919 O THR A 66 7.731 -13.698 19.731 1.00 0.00 O ATOM 920 CB THR A 66 7.810 -10.668 20.669 1.00 0.00 C ATOM 921 OG1 THR A 66 8.649 -9.517 20.784 1.00 0.00 O ATOM 922 CG2 THR A 66 6.626 -10.475 21.560 1.00 0.00 C ATOM 0 H THR A 66 9.478 -11.694 19.176 1.00 0.00 H new ATOM 0 HA THR A 66 8.955 -11.833 22.078 1.00 0.00 H new ATOM 0 HB THR A 66 7.431 -10.814 19.658 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.096 -8.723 20.937 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.076 -9.587 21.248 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.975 -11.347 21.494 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.962 -10.350 22.589 1.00 0.00 H new ATOM 930 N PRO A 67 7.429 -13.855 21.942 1.00 0.00 N ATOM 931 CA PRO A 67 6.683 -15.100 21.857 1.00 0.00 C ATOM 932 C PRO A 67 5.245 -14.898 21.350 1.00 0.00 C ATOM 933 O PRO A 67 4.707 -13.776 21.390 1.00 0.00 O ATOM 934 CB PRO A 67 6.689 -15.624 23.295 1.00 0.00 C ATOM 935 CG PRO A 67 6.833 -14.411 24.137 1.00 0.00 C ATOM 936 CD PRO A 67 7.655 -13.440 23.337 1.00 0.00 C ATOM 0 HA PRO A 67 7.130 -15.790 21.142 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.768 -16.159 23.525 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.511 -16.320 23.459 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.858 -13.988 24.380 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.322 -14.649 25.082 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.335 -12.412 23.505 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.710 -13.494 23.604 1.00 0.00 H new ATOM 944 N HIS A 68 4.650 -16.004 20.928 1.00 0.00 N ATOM 945 CA HIS A 68 3.304 -16.124 20.339 1.00 0.00 C ATOM 946 C HIS A 68 2.279 -15.282 21.068 1.00 0.00 C ATOM 947 O HIS A 68 1.635 -14.424 20.469 1.00 0.00 O ATOM 948 CB HIS A 68 2.900 -17.620 20.416 1.00 0.00 C ATOM 949 CG HIS A 68 1.528 -18.016 19.900 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.361 -18.878 18.853 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.275 -17.746 20.351 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.087 -19.123 18.677 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.594 -18.453 19.568 1.00 0.00 N ATOM 0 H HIS A 68 5.118 -16.908 20.988 1.00 0.00 H new ATOM 0 HA HIS A 68 3.331 -15.763 19.311 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.643 -18.195 19.864 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.967 -17.931 21.459 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.116 -19.272 18.292 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.015 -17.096 21.173 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.331 -19.771 17.921 1.00 0.00 H new ATOM 962 N GLU A 69 2.135 -15.527 22.344 1.00 0.00 N ATOM 963 CA GLU A 69 1.119 -14.872 23.111 1.00 0.00 C ATOM 964 C GLU A 69 1.399 -13.395 23.262 1.00 0.00 C ATOM 965 O GLU A 69 0.490 -12.598 23.159 1.00 0.00 O ATOM 966 CB GLU A 69 0.944 -15.539 24.444 1.00 0.00 C ATOM 967 CG GLU A 69 -0.075 -14.878 25.344 1.00 0.00 C ATOM 968 CD GLU A 69 -0.123 -15.525 26.678 1.00 0.00 C ATOM 969 OE1 GLU A 69 0.926 -15.586 27.352 1.00 0.00 O ATOM 970 OE2 GLU A 69 -1.198 -16.001 27.085 1.00 0.00 O ATOM 0 H GLU A 69 2.714 -16.180 22.872 1.00 0.00 H new ATOM 0 HA GLU A 69 0.180 -14.963 22.565 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.649 -16.576 24.282 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.906 -15.557 24.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.170 -13.822 25.459 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.059 -14.928 24.879 1.00 0.00 H new ATOM 977 N LYS A 70 2.663 -13.026 23.474 1.00 0.00 N ATOM 978 CA LYS A 70 3.005 -11.621 23.573 1.00 0.00 C ATOM 979 C LYS A 70 2.638 -10.878 22.329 1.00 0.00 C ATOM 980 O LYS A 70 1.995 -9.854 22.406 1.00 0.00 O ATOM 981 CB LYS A 70 4.454 -11.366 23.890 1.00 0.00 C ATOM 982 CG LYS A 70 4.717 -11.064 25.333 1.00 0.00 C ATOM 983 CD LYS A 70 5.987 -10.258 25.457 1.00 0.00 C ATOM 984 CE LYS A 70 6.203 -9.766 26.864 1.00 0.00 C ATOM 985 NZ LYS A 70 5.054 -8.983 27.380 1.00 0.00 N ATOM 0 H LYS A 70 3.447 -13.671 23.578 1.00 0.00 H new ATOM 0 HA LYS A 70 2.418 -11.252 24.414 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.038 -12.239 23.600 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.806 -10.531 23.284 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.880 -10.510 25.758 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.806 -11.991 25.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.836 -10.869 25.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.945 -9.407 24.777 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.380 -10.619 27.519 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.101 -9.149 26.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.405 -8.162 27.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.471 -8.655 26.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.479 -9.582 28.006 1.00 0.00 H new ATOM 999 N ILE A 71 3.026 -11.423 21.192 1.00 0.00 N ATOM 1000 CA ILE A 71 2.723 -10.843 19.888 1.00 0.00 C ATOM 1001 C ILE A 71 1.215 -10.560 19.766 1.00 0.00 C ATOM 1002 O ILE A 71 0.804 -9.468 19.361 1.00 0.00 O ATOM 1003 CB ILE A 71 3.201 -11.792 18.746 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.721 -11.965 18.811 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.802 -11.269 17.383 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.301 -12.869 17.744 1.00 0.00 C ATOM 0 H ILE A 71 3.565 -12.288 21.142 1.00 0.00 H new ATOM 0 HA ILE A 71 3.258 -9.898 19.793 1.00 0.00 H new ATOM 0 HB ILE A 71 2.716 -12.757 18.891 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.188 -10.984 18.730 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.986 -12.365 19.790 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.152 -11.956 16.613 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.717 -11.186 17.329 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.250 -10.288 17.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.382 -12.932 17.869 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.867 -13.865 17.835 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.072 -12.462 16.759 1.00 0.00 H new ATOM 1018 N VAL A 72 0.412 -11.512 20.208 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.032 -11.370 20.166 1.00 0.00 C ATOM 1020 C VAL A 72 -1.514 -10.371 21.233 1.00 0.00 C ATOM 1021 O VAL A 72 -2.429 -9.586 20.990 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.734 -12.749 20.350 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.254 -12.615 20.356 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.301 -13.697 19.249 1.00 0.00 C ATOM 0 H VAL A 72 0.738 -12.395 20.602 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.302 -10.980 19.185 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.434 -13.149 21.318 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.705 -13.599 20.486 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.559 -11.964 21.176 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.585 -12.186 19.410 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.795 -14.660 19.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.576 -13.279 18.280 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.221 -13.835 19.291 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.843 -10.360 22.373 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.203 -9.513 23.518 1.00 0.00 C ATOM 1036 C HIS A 73 -0.994 -8.049 23.147 1.00 0.00 C ATOM 1037 O HIS A 73 -1.857 -7.189 23.390 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.324 -9.906 24.743 1.00 0.00 C ATOM 1039 CG HIS A 73 -0.550 -9.120 26.015 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.103 -9.659 27.154 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -0.238 -7.841 26.331 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.127 -8.742 28.099 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -0.606 -7.638 27.621 1.00 0.00 N ATOM 0 H HIS A 73 -0.022 -10.942 22.540 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.251 -9.659 23.780 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.492 -10.961 24.959 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.723 -9.802 24.459 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.220 -7.115 25.676 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.511 -8.877 29.099 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.495 -6.765 28.137 1.00 0.00 H new ATOM 1052 N ILE A 74 0.141 -7.794 22.548 1.00 0.00 N ATOM 1053 CA ILE A 74 0.533 -6.495 22.113 1.00 0.00 C ATOM 1054 C ILE A 74 -0.413 -6.006 21.022 1.00 0.00 C ATOM 1055 O ILE A 74 -0.928 -4.883 21.096 1.00 0.00 O ATOM 1056 CB ILE A 74 1.985 -6.555 21.617 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.884 -6.870 22.820 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.381 -5.236 20.975 1.00 0.00 C ATOM 1059 CD1 ILE A 74 4.139 -7.610 22.480 1.00 0.00 C ATOM 0 H ILE A 74 0.834 -8.515 22.347 1.00 0.00 H new ATOM 0 HA ILE A 74 0.477 -5.786 22.939 1.00 0.00 H new ATOM 0 HB ILE A 74 2.095 -7.331 20.860 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.151 -5.935 23.313 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.314 -7.458 23.539 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.413 -5.295 20.629 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.725 -5.032 20.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.289 -4.433 21.707 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.713 -7.790 23.389 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.885 -8.563 22.016 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.735 -7.017 21.786 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.683 -6.878 20.042 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.621 -6.562 18.956 1.00 0.00 C ATOM 1073 C LEU A 75 -3.001 -6.226 19.479 1.00 0.00 C ATOM 1074 O LEU A 75 -3.540 -5.180 19.160 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.724 -7.703 17.939 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.570 -7.842 16.955 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.753 -9.096 16.110 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.511 -6.615 16.058 1.00 0.00 C ATOM 0 H LEU A 75 -0.266 -7.807 19.978 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.215 -5.683 18.455 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.820 -8.641 18.487 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.644 -7.571 17.370 1.00 0.00 H new ATOM 0 HG LEU A 75 0.364 -7.925 17.510 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.077 -9.187 15.409 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.778 -9.972 16.759 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.689 -9.028 15.556 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.316 -6.718 15.355 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.447 -6.522 15.507 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.360 -5.725 16.669 1.00 0.00 H new ATOM 1090 N SER A 76 -3.541 -7.095 20.314 1.00 0.00 N ATOM 1091 CA SER A 76 -4.885 -6.957 20.863 1.00 0.00 C ATOM 1092 C SER A 76 -5.105 -5.630 21.603 1.00 0.00 C ATOM 1093 O SER A 76 -6.214 -5.116 21.617 1.00 0.00 O ATOM 1094 CB SER A 76 -5.215 -8.145 21.770 1.00 0.00 C ATOM 1095 OG SER A 76 -5.085 -9.373 21.049 1.00 0.00 O ATOM 0 H SER A 76 -3.054 -7.931 20.637 1.00 0.00 H new ATOM 0 HA SER A 76 -5.569 -6.949 20.014 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.548 -8.149 22.632 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.230 -8.047 22.154 1.00 0.00 H new ATOM 0 HG SER A 76 -4.145 -9.648 21.039 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.057 -5.052 22.155 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.207 -3.808 22.904 1.00 0.00 C ATOM 1103 C ASN A 77 -3.764 -2.574 22.116 1.00 0.00 C ATOM 1104 O ASN A 77 -3.926 -1.449 22.584 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.496 -3.874 24.268 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.171 -4.823 25.252 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.046 -4.422 26.018 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -3.770 -6.075 25.246 1.00 0.00 N ATOM 0 H ASN A 77 -3.104 -5.412 22.104 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.277 -3.697 23.082 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.464 -4.191 24.118 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.463 -2.875 24.702 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.187 -6.747 25.890 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.042 -6.374 24.597 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.213 -2.764 20.931 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.768 -1.626 20.130 1.00 0.00 C ATOM 1117 C ALA A 78 -3.754 -1.320 19.004 1.00 0.00 C ATOM 1118 O ALA A 78 -4.198 -2.232 18.307 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.365 -1.879 19.560 1.00 0.00 C ATOM 0 H ALA A 78 -3.062 -3.677 20.503 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.726 -0.756 20.785 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.053 -1.019 18.967 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.661 -2.030 20.379 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.383 -2.768 18.929 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.127 -0.049 18.855 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.983 0.386 17.752 1.00 0.00 C ATOM 1127 C VAL A 79 -4.327 1.618 17.083 1.00 0.00 C ATOM 1128 O VAL A 79 -3.206 2.000 17.462 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.462 0.729 18.206 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.983 -0.240 19.149 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.690 2.130 18.676 1.00 0.00 C ATOM 0 H VAL A 79 -3.848 0.701 19.488 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.071 -0.441 17.048 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.036 0.658 17.282 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.999 0.037 19.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.991 -1.228 18.689 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.352 -0.259 20.038 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.735 2.253 18.961 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.053 2.333 19.537 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.449 2.827 17.873 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.995 2.227 16.131 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.475 3.389 15.472 1.00 0.00 C ATOM 1143 C GLY A 80 -3.581 2.997 14.354 1.00 0.00 C ATOM 1144 O GLY A 80 -3.739 1.907 13.796 1.00 0.00 O ATOM 0 H GLY A 80 -5.911 1.927 15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.296 3.997 15.093 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.926 4.004 16.185 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.675 3.866 14.011 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.681 3.588 13.015 1.00 0.00 C ATOM 1150 C GLU A 81 -0.603 2.739 13.643 1.00 0.00 C ATOM 1151 O GLU A 81 0.069 3.163 14.591 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.100 4.881 12.492 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.086 5.723 11.720 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.549 7.090 11.471 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.796 7.284 10.497 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.827 7.999 12.286 1.00 0.00 O ATOM 0 H GLU A 81 -2.605 4.798 14.419 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.126 3.053 12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.718 5.463 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.250 4.653 11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.314 5.241 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.022 5.793 12.275 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.474 1.552 13.162 1.00 0.00 N ATOM 1164 CA ILE A 82 0.470 0.609 13.697 1.00 0.00 C ATOM 1165 C ILE A 82 1.447 0.232 12.616 1.00 0.00 C ATOM 1166 O ILE A 82 1.054 -0.302 11.577 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.279 -0.656 14.194 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.308 -0.265 15.270 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.704 -1.691 14.741 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.277 -1.362 15.636 1.00 0.00 C ATOM 0 H ILE A 82 -1.022 1.196 12.379 1.00 0.00 H new ATOM 0 HA ILE A 82 1.004 1.055 14.536 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.803 -1.105 13.350 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.775 0.047 16.168 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.872 0.599 14.918 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.155 -2.569 15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.401 -1.982 13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.258 -1.261 15.576 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.965 -1.000 16.400 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.841 -1.660 14.752 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.726 -2.220 16.021 1.00 0.00 H new ATOM 1182 N HIS A 83 2.700 0.538 12.840 1.00 0.00 N ATOM 1183 CA HIS A 83 3.750 0.204 11.898 1.00 0.00 C ATOM 1184 C HIS A 83 4.204 -1.186 12.170 1.00 0.00 C ATOM 1185 O HIS A 83 4.526 -1.525 13.306 1.00 0.00 O ATOM 1186 CB HIS A 83 4.981 1.115 12.039 1.00 0.00 C ATOM 1187 CG HIS A 83 4.829 2.554 11.670 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.656 3.181 10.769 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.007 3.507 12.137 1.00 0.00 C ATOM 1190 CE1 HIS A 83 5.343 4.448 10.706 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.345 4.676 11.525 1.00 0.00 N ATOM 0 H HIS A 83 3.025 1.024 13.676 1.00 0.00 H new ATOM 0 HA HIS A 83 3.337 0.325 10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.315 1.069 13.076 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.780 0.695 11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.221 3.372 12.865 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.826 5.185 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.896 5.579 11.678 1.00 0.00 H new ATOM 1200 N MET A 84 4.193 -1.987 11.184 1.00 0.00 N ATOM 1201 CA MET A 84 4.732 -3.288 11.297 1.00 0.00 C ATOM 1202 C MET A 84 5.755 -3.450 10.236 1.00 0.00 C ATOM 1203 O MET A 84 5.662 -2.831 9.180 1.00 0.00 O ATOM 1204 CB MET A 84 3.705 -4.376 11.112 1.00 0.00 C ATOM 1205 CG MET A 84 2.481 -4.308 11.990 1.00 0.00 C ATOM 1206 SD MET A 84 1.484 -5.790 11.808 1.00 0.00 S ATOM 1207 CE MET A 84 1.601 -6.019 10.037 1.00 0.00 C ATOM 0 H MET A 84 3.808 -1.763 10.266 1.00 0.00 H new ATOM 0 HA MET A 84 5.140 -3.387 12.303 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.379 -4.363 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.192 -5.336 11.281 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.781 -4.191 13.031 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.889 -3.431 11.729 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.849 -6.738 9.713 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.432 -5.066 9.535 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.593 -6.392 9.783 1.00 0.00 H new ATOM 1217 N LYS A 85 6.701 -4.269 10.474 1.00 0.00 N ATOM 1218 CA LYS A 85 7.722 -4.516 9.518 1.00 0.00 C ATOM 1219 C LYS A 85 7.659 -5.956 9.202 1.00 0.00 C ATOM 1220 O LYS A 85 7.690 -6.777 10.094 1.00 0.00 O ATOM 1221 CB LYS A 85 9.084 -4.166 10.080 1.00 0.00 C ATOM 1222 CG LYS A 85 9.312 -2.724 10.379 1.00 0.00 C ATOM 1223 CD LYS A 85 9.440 -1.935 9.116 1.00 0.00 C ATOM 1224 CE LYS A 85 10.059 -0.612 9.387 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.196 0.182 8.159 1.00 0.00 N ATOM 0 H LYS A 85 6.797 -4.795 11.342 1.00 0.00 H new ATOM 0 HA LYS A 85 7.574 -3.904 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.235 -4.736 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.844 -4.495 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.485 -2.336 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.216 -2.610 10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.046 -2.486 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.457 -1.797 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.451 -0.066 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.040 -0.755 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.235 1.193 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.070 -0.090 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.380 0.006 7.539 1.00 0.00 H new ATOM 1239 N THR A 86 7.490 -6.268 7.982 1.00 0.00 N ATOM 1240 CA THR A 86 7.373 -7.636 7.607 1.00 0.00 C ATOM 1241 C THR A 86 8.461 -8.043 6.608 1.00 0.00 C ATOM 1242 O THR A 86 8.801 -7.282 5.717 1.00 0.00 O ATOM 1243 CB THR A 86 5.964 -7.936 7.036 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.742 -7.248 5.783 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.877 -7.528 8.027 1.00 0.00 C ATOM 0 H THR A 86 7.428 -5.600 7.214 1.00 0.00 H new ATOM 0 HA THR A 86 7.512 -8.233 8.508 1.00 0.00 H new ATOM 0 HB THR A 86 5.914 -9.011 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.173 -6.368 5.812 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.897 -7.748 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.004 -8.084 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.952 -6.460 8.230 1.00 0.00 H new ATOM 1253 N MET A 87 8.995 -9.230 6.779 1.00 0.00 N ATOM 1254 CA MET A 87 10.010 -9.784 5.889 1.00 0.00 C ATOM 1255 C MET A 87 9.357 -10.913 5.135 1.00 0.00 C ATOM 1256 O MET A 87 8.274 -11.317 5.523 1.00 0.00 O ATOM 1257 CB MET A 87 11.196 -10.320 6.711 1.00 0.00 C ATOM 1258 CG MET A 87 12.018 -9.252 7.386 1.00 0.00 C ATOM 1259 SD MET A 87 13.341 -9.921 8.427 1.00 0.00 S ATOM 1260 CE MET A 87 14.255 -10.941 7.262 1.00 0.00 C ATOM 0 H MET A 87 8.739 -9.852 7.546 1.00 0.00 H new ATOM 0 HA MET A 87 10.390 -9.023 5.207 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.817 -11.004 7.470 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.845 -10.900 6.055 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.455 -8.604 6.626 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.363 -8.630 7.997 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.205 -11.238 7.706 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.672 -11.830 7.022 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.442 -10.373 6.351 1.00 0.00 H new ATOM 1270 N PRO A 88 9.977 -11.496 4.085 1.00 0.00 N ATOM 1271 CA PRO A 88 9.376 -12.613 3.311 1.00 0.00 C ATOM 1272 C PRO A 88 9.423 -13.947 4.067 1.00 0.00 C ATOM 1273 O PRO A 88 9.453 -15.025 3.460 1.00 0.00 O ATOM 1274 CB PRO A 88 10.242 -12.680 2.041 1.00 0.00 C ATOM 1275 CG PRO A 88 11.076 -11.443 2.070 1.00 0.00 C ATOM 1276 CD PRO A 88 11.277 -11.123 3.513 1.00 0.00 C ATOM 0 HA PRO A 88 8.318 -12.442 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.865 -13.575 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.624 -12.717 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.030 -11.603 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.578 -10.623 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.095 -11.696 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.506 -10.069 3.670 1.00 0.00 H new ATOM 1284 N ALA A 89 9.368 -13.843 5.383 1.00 0.00 N ATOM 1285 CA ALA A 89 9.406 -14.945 6.304 1.00 0.00 C ATOM 1286 C ALA A 89 10.669 -15.734 6.166 1.00 0.00 C ATOM 1287 O ALA A 89 10.683 -16.889 5.734 1.00 0.00 O ATOM 1288 CB ALA A 89 8.154 -15.794 6.251 1.00 0.00 C ATOM 0 H ALA A 89 9.292 -12.941 5.852 1.00 0.00 H new ATOM 0 HA ALA A 89 9.418 -14.524 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.238 -16.611 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.288 -15.181 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.033 -16.202 5.247 1.00 0.00 H new ATOM 1294 N ALA A 90 11.731 -15.038 6.392 1.00 0.00 N ATOM 1295 CA ALA A 90 13.029 -15.612 6.469 1.00 0.00 C ATOM 1296 C ALA A 90 13.363 -15.728 7.937 1.00 0.00 C ATOM 1297 O ALA A 90 13.777 -14.734 8.528 1.00 0.00 O ATOM 1298 CB ALA A 90 14.051 -14.748 5.730 1.00 0.00 C ATOM 1299 OXT ALA A 90 13.111 -16.807 8.518 1.00 0.00 O ATOM 0 H ALA A 90 11.719 -14.028 6.532 1.00 0.00 H new ATOM 0 HA ALA A 90 13.055 -16.592 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.037 -15.208 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.766 -14.665 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.080 -13.755 6.178 1.00 0.00 H new