USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 935 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 119 HIS : no HD1:sc= -2.39! C(o=-3.2!,f=-16!) USER MOD Set 1.2: A 120 HIS : no HD1:sc= -0.764 K(o=-3.2,f=-2.6) USER MOD Set 2.1: A 28 SER OG : rot 44:sc= 0.245! USER MOD Set 2.2: A 85 ASN : amide:sc= -2.88! K(o=-2.6!,f=0.97) USER MOD Set 3.1: A 13 THR OG1 : rot 47:sc= -0.0376! USER MOD Set 3.2: A 39 THR OG1 : rot -7:sc= 0.154 USER MOD Set 4.1: A 5 GLN : amide:sc= -1.5 X(o=-1.4,f=-1.5) USER MOD Set 4.2: A 109 SER OG : rot 140:sc= 0.0453 USER MOD Set 4.3: A 111 SER OG : rot 130:sc= 0.0225 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.139 (180deg=-0.867) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0303 (180deg=-0.374) USER MOD Single : A 7 SER OG : rot 136:sc= 0.223 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.164 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0792 (180deg=-0.525) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0285 (180deg=-0.491) USER MOD Single : A 25 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.6!) USER MOD Single : A 30 MET CE :methyl -144:sc=-0.00332 (180deg=-4.09!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= -4.35! (180deg=-4.55!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -120:sc= -0.0195 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -132:sc= -0.0807 (180deg=-1.21) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0284 (180deg=-0.353) USER MOD Single : A 69 LYS NZ :NH3+ -144:sc= 0.961 (180deg=-0.0105) USER MOD Single : A 72 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.14) USER MOD Single : A 76 THR OG1 : rot -138:sc= -0.556 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.573 USER MOD Single : A 87 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2!) USER MOD Single : A 94 MET CE :methyl -149:sc= -0.27 (180deg=-1.46!) USER MOD Single : A 97 MET CE :methyl 157:sc= 0 (180deg=-0.00393) USER MOD Single : A 100 TYR OH : rot -85:sc= -0.357 USER MOD Single : A 104 ASN : amide:sc= -3! K(o=-3!,f=-1.3) USER MOD Single : A 110 LYS NZ :NH3+ -119:sc= 0.0327 (180deg=-1.19) USER MOD Single : A 115 HIS : no HD1:sc= 0.246 K(o=0.25,f=-1.8!) USER MOD Single : A 116 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-10!) USER MOD Single : A 117 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.4!) USER MOD Single : A 118 HIS : no HD1:sc= -0.99 X(o=-0.99,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.023 1.755 10.797 1.00 0.00 N ATOM 2 CA MET A 1 11.926 2.906 9.855 1.00 0.00 C ATOM 3 C MET A 1 10.577 2.844 9.139 1.00 0.00 C ATOM 4 O MET A 1 9.860 3.820 9.050 1.00 0.00 O ATOM 5 CB MET A 1 13.052 2.816 8.825 1.00 0.00 C ATOM 6 CG MET A 1 14.399 3.028 9.521 1.00 0.00 C ATOM 7 SD MET A 1 15.732 2.948 8.296 1.00 0.00 S ATOM 8 CE MET A 1 15.630 1.175 7.936 1.00 0.00 C ATOM 0 H1 MET A 1 12.781 1.933 11.486 1.00 0.00 H new ATOM 0 H2 MET A 1 11.119 1.640 11.299 1.00 0.00 H new ATOM 0 H3 MET A 1 12.236 0.887 10.264 1.00 0.00 H new ATOM 0 HA MET A 1 12.013 3.844 10.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.033 1.843 8.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.910 3.567 8.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.412 3.994 10.025 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.548 2.267 10.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.599 0.818 7.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.349 0.636 8.841 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.881 1.003 7.163 1.00 0.00 H new ATOM 20 N ALA A 2 10.240 1.690 8.631 1.00 0.00 N ATOM 21 CA ALA A 2 8.943 1.516 7.915 1.00 0.00 C ATOM 22 C ALA A 2 8.839 2.518 6.764 1.00 0.00 C ATOM 23 O ALA A 2 8.760 3.714 6.962 1.00 0.00 O ATOM 24 CB ALA A 2 7.774 1.714 8.887 1.00 0.00 C ATOM 0 H ALA A 2 10.815 0.849 8.682 1.00 0.00 H new ATOM 0 HA ALA A 2 8.899 0.505 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.832 1.585 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.840 0.980 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.818 2.718 9.309 1.00 0.00 H new ATOM 30 N GLU A 3 8.840 2.027 5.550 1.00 0.00 N ATOM 31 CA GLU A 3 8.743 2.938 4.374 1.00 0.00 C ATOM 32 C GLU A 3 7.993 2.244 3.239 1.00 0.00 C ATOM 33 O GLU A 3 8.034 1.035 3.091 1.00 0.00 O ATOM 34 CB GLU A 3 10.152 3.315 3.908 1.00 0.00 C ATOM 35 CG GLU A 3 10.901 2.070 3.425 1.00 0.00 C ATOM 36 CD GLU A 3 12.337 2.455 3.061 1.00 0.00 C ATOM 37 OE1 GLU A 3 12.904 3.276 3.762 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.845 1.920 2.090 1.00 0.00 O ATOM 0 H GLU A 3 8.904 1.034 5.325 1.00 0.00 H new ATOM 0 HA GLU A 3 8.200 3.839 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.093 4.048 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.700 3.783 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.903 1.307 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.397 1.641 2.559 1.00 0.00 H new ATOM 45 N ILE A 4 7.307 3.014 2.431 1.00 0.00 N ATOM 46 CA ILE A 4 6.541 2.435 1.288 1.00 0.00 C ATOM 47 C ILE A 4 7.226 2.808 -0.022 1.00 0.00 C ATOM 48 O ILE A 4 7.552 3.954 -0.261 1.00 0.00 O ATOM 49 CB ILE A 4 5.123 2.996 1.292 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.426 2.583 2.589 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.356 2.438 0.092 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.098 3.329 2.720 1.00 0.00 C ATOM 0 H ILE A 4 7.245 4.029 2.517 1.00 0.00 H new ATOM 0 HA ILE A 4 6.506 1.350 1.387 1.00 0.00 H new ATOM 0 HB ILE A 4 5.153 4.084 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.252 1.507 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.065 2.806 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.342 2.837 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.861 2.728 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.318 1.351 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.604 3.032 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.284 4.403 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.458 3.084 1.872 1.00 0.00 H new ATOM 64 N GLN A 5 7.453 1.837 -0.874 1.00 0.00 N ATOM 65 CA GLN A 5 8.125 2.111 -2.179 1.00 0.00 C ATOM 66 C GLN A 5 7.283 1.535 -3.320 1.00 0.00 C ATOM 67 O GLN A 5 6.835 0.404 -3.271 1.00 0.00 O ATOM 68 CB GLN A 5 9.500 1.440 -2.186 1.00 0.00 C ATOM 69 CG GLN A 5 10.224 1.729 -0.871 1.00 0.00 C ATOM 70 CD GLN A 5 10.377 3.236 -0.686 1.00 0.00 C ATOM 71 OE1 GLN A 5 10.596 3.960 -1.640 1.00 0.00 O ATOM 72 NE2 GLN A 5 10.281 3.742 0.510 1.00 0.00 N ATOM 0 H GLN A 5 7.199 0.861 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 5 8.234 3.187 -2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.389 0.364 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.090 1.808 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.665 1.306 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.204 1.252 -0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.097 3.134 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.389 4.747 0.649 1.00 0.00 H new ATOM 81 N PHE A 6 7.077 2.307 -4.352 1.00 0.00 N ATOM 82 CA PHE A 6 6.282 1.827 -5.521 1.00 0.00 C ATOM 83 C PHE A 6 7.237 1.264 -6.574 1.00 0.00 C ATOM 84 O PHE A 6 7.254 0.078 -6.851 1.00 0.00 O ATOM 85 CB PHE A 6 5.514 3.008 -6.129 1.00 0.00 C ATOM 86 CG PHE A 6 4.295 3.320 -5.293 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.262 2.383 -5.201 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.192 4.544 -4.617 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.129 2.663 -4.436 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.057 4.825 -3.850 1.00 0.00 C ATOM 91 CZ PHE A 6 2.026 3.883 -3.758 1.00 0.00 C ATOM 0 H PHE A 6 7.429 3.261 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 6 5.582 1.056 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.161 3.883 -6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.214 2.770 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.341 1.441 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.989 5.269 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.331 1.938 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.976 5.768 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.150 4.098 -3.163 1.00 0.00 H new ATOM 101 N SER A 7 8.034 2.121 -7.159 1.00 0.00 N ATOM 102 CA SER A 7 9.011 1.683 -8.201 1.00 0.00 C ATOM 103 C SER A 7 10.425 1.841 -7.640 1.00 0.00 C ATOM 104 O SER A 7 11.404 1.800 -8.362 1.00 0.00 O ATOM 105 CB SER A 7 8.838 2.552 -9.446 1.00 0.00 C ATOM 106 OG SER A 7 7.604 2.226 -10.075 1.00 0.00 O ATOM 0 H SER A 7 8.049 3.120 -6.956 1.00 0.00 H new ATOM 0 HA SER A 7 8.841 0.641 -8.470 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.853 3.607 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.666 2.389 -10.136 1.00 0.00 H new ATOM 0 HG SER A 7 7.144 3.050 -10.339 1.00 0.00 H new ATOM 112 N LYS A 8 10.522 2.019 -6.346 1.00 0.00 N ATOM 113 CA LYS A 8 11.850 2.178 -5.674 1.00 0.00 C ATOM 114 C LYS A 8 12.603 3.397 -6.217 1.00 0.00 C ATOM 115 O LYS A 8 12.813 3.545 -7.406 1.00 0.00 O ATOM 116 CB LYS A 8 12.702 0.918 -5.869 1.00 0.00 C ATOM 117 CG LYS A 8 12.056 -0.252 -5.121 1.00 0.00 C ATOM 118 CD LYS A 8 12.827 -1.545 -5.420 1.00 0.00 C ATOM 119 CE LYS A 8 14.158 -1.560 -4.657 1.00 0.00 C ATOM 120 NZ LYS A 8 14.738 -2.932 -4.695 1.00 0.00 N ATOM 0 H LYS A 8 9.722 2.062 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 8 11.667 2.329 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.787 0.683 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.713 1.088 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.057 -0.056 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.015 -0.360 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.227 -2.409 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.013 -1.626 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.853 -0.848 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.001 -1.249 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.640 -2.942 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.077 -3.601 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.902 -3.212 -5.683 1.00 0.00 H new ATOM 134 N GLY A 9 13.017 4.268 -5.329 1.00 0.00 N ATOM 135 CA GLY A 9 13.763 5.491 -5.748 1.00 0.00 C ATOM 136 C GLY A 9 12.771 6.620 -6.030 1.00 0.00 C ATOM 137 O GLY A 9 13.135 7.671 -6.527 1.00 0.00 O ATOM 0 H GLY A 9 12.868 4.181 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.460 5.791 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.355 5.282 -6.639 1.00 0.00 H new ATOM 141 N VAL A 10 11.513 6.406 -5.717 1.00 0.00 N ATOM 142 CA VAL A 10 10.470 7.454 -5.965 1.00 0.00 C ATOM 143 C VAL A 10 9.967 8.020 -4.631 1.00 0.00 C ATOM 144 O VAL A 10 9.823 7.316 -3.650 1.00 0.00 O ATOM 145 CB VAL A 10 9.310 6.831 -6.752 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.683 6.771 -8.235 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.049 5.411 -6.242 1.00 0.00 C ATOM 0 H VAL A 10 11.163 5.545 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 10 10.901 8.271 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 10 8.414 7.437 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.862 6.329 -8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.875 7.779 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.578 6.162 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.225 4.969 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.945 4.805 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.791 5.446 -5.184 1.00 0.00 H new ATOM 157 N ALA A 11 9.720 9.305 -4.594 1.00 0.00 N ATOM 158 CA ALA A 11 9.247 9.955 -3.337 1.00 0.00 C ATOM 159 C ALA A 11 7.897 9.374 -2.899 1.00 0.00 C ATOM 160 O ALA A 11 7.029 9.100 -3.705 1.00 0.00 O ATOM 161 CB ALA A 11 9.098 11.460 -3.575 1.00 0.00 C ATOM 0 H ALA A 11 9.827 9.936 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 11 9.977 9.769 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.752 11.941 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.062 11.880 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.374 11.633 -4.371 1.00 0.00 H new ATOM 167 N GLU A 12 7.722 9.190 -1.615 1.00 0.00 N ATOM 168 CA GLU A 12 6.440 8.632 -1.089 1.00 0.00 C ATOM 169 C GLU A 12 5.545 9.778 -0.605 1.00 0.00 C ATOM 170 O GLU A 12 4.489 10.031 -1.154 1.00 0.00 O ATOM 171 CB GLU A 12 6.751 7.706 0.091 1.00 0.00 C ATOM 172 CG GLU A 12 5.475 6.999 0.554 1.00 0.00 C ATOM 173 CD GLU A 12 5.021 6.004 -0.517 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.772 5.789 -1.453 1.00 0.00 O ATOM 175 OE2 GLU A 12 3.929 5.477 -0.381 1.00 0.00 O ATOM 0 H GLU A 12 8.419 9.405 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 12 5.928 8.078 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.499 6.969 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.176 8.282 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.656 6.479 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.689 7.731 0.741 1.00 0.00 H new ATOM 182 N THR A 13 5.963 10.458 0.425 1.00 0.00 N ATOM 183 CA THR A 13 5.153 11.590 0.969 1.00 0.00 C ATOM 184 C THR A 13 3.709 11.146 1.210 1.00 0.00 C ATOM 185 O THR A 13 3.332 10.026 0.927 1.00 0.00 O ATOM 186 CB THR A 13 5.168 12.769 -0.017 1.00 0.00 C ATOM 187 OG1 THR A 13 5.002 12.294 -1.344 1.00 0.00 O ATOM 188 CG2 THR A 13 6.497 13.516 0.096 1.00 0.00 C ATOM 0 H THR A 13 6.837 10.279 0.919 1.00 0.00 H new ATOM 0 HA THR A 13 5.591 11.904 1.917 1.00 0.00 H new ATOM 0 HB THR A 13 4.348 13.446 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.258 11.657 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.505 14.351 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.618 13.892 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.317 12.837 -0.139 1.00 0.00 H new ATOM 196 N VAL A 14 2.909 12.038 1.737 1.00 0.00 N ATOM 197 CA VAL A 14 1.475 11.728 2.019 1.00 0.00 C ATOM 198 C VAL A 14 1.363 10.524 2.956 1.00 0.00 C ATOM 199 O VAL A 14 2.182 9.624 2.938 1.00 0.00 O ATOM 200 CB VAL A 14 0.739 11.439 0.704 1.00 0.00 C ATOM 201 CG1 VAL A 14 -0.662 10.890 1.001 1.00 0.00 C ATOM 202 CG2 VAL A 14 0.619 12.741 -0.090 1.00 0.00 C ATOM 0 H VAL A 14 3.195 12.984 1.988 1.00 0.00 H new ATOM 0 HA VAL A 14 1.018 12.590 2.505 1.00 0.00 H new ATOM 0 HB VAL A 14 1.295 10.700 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.179 10.687 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.577 9.968 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.227 11.625 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.097 12.549 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.060 13.473 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.615 13.131 -0.302 1.00 0.00 H new ATOM 212 N VAL A 15 0.335 10.504 3.776 1.00 0.00 N ATOM 213 CA VAL A 15 0.138 9.368 4.717 1.00 0.00 C ATOM 214 C VAL A 15 -1.008 8.479 4.190 1.00 0.00 C ATOM 215 O VAL A 15 -2.162 8.846 4.264 1.00 0.00 O ATOM 216 CB VAL A 15 -0.216 9.910 6.104 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.470 10.795 6.047 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.455 8.726 7.038 1.00 0.00 C ATOM 0 H VAL A 15 -0.376 11.233 3.829 1.00 0.00 H new ATOM 0 HA VAL A 15 1.053 8.780 4.791 1.00 0.00 H new ATOM 0 HB VAL A 15 0.606 10.524 6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.699 11.167 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.291 11.637 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.312 10.210 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.709 9.093 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.276 8.120 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.449 8.119 7.095 1.00 0.00 H new ATOM 228 N PRO A 16 -0.700 7.328 3.633 1.00 0.00 N ATOM 229 CA PRO A 16 -1.732 6.405 3.071 1.00 0.00 C ATOM 230 C PRO A 16 -2.531 5.680 4.158 1.00 0.00 C ATOM 231 O PRO A 16 -2.008 5.325 5.199 1.00 0.00 O ATOM 232 CB PRO A 16 -0.914 5.424 2.220 1.00 0.00 C ATOM 233 CG PRO A 16 0.443 5.402 2.847 1.00 0.00 C ATOM 234 CD PRO A 16 0.654 6.774 3.489 1.00 0.00 C ATOM 0 HA PRO A 16 -2.490 6.939 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.364 4.431 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.863 5.751 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.511 4.611 3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.211 5.202 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.152 6.687 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.279 7.412 2.864 1.00 0.00 H new ATOM 242 N GLU A 17 -3.796 5.465 3.924 1.00 0.00 N ATOM 243 CA GLU A 17 -4.642 4.768 4.936 1.00 0.00 C ATOM 244 C GLU A 17 -4.752 3.290 4.582 1.00 0.00 C ATOM 245 O GLU A 17 -4.835 2.920 3.426 1.00 0.00 O ATOM 246 CB GLU A 17 -6.040 5.392 4.953 1.00 0.00 C ATOM 247 CG GLU A 17 -5.950 6.843 5.456 1.00 0.00 C ATOM 248 CD GLU A 17 -5.538 7.768 4.308 1.00 0.00 C ATOM 249 OE1 GLU A 17 -5.234 7.260 3.242 1.00 0.00 O ATOM 250 OE2 GLU A 17 -5.520 8.968 4.520 1.00 0.00 O ATOM 0 H GLU A 17 -4.283 5.743 3.072 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.185 4.872 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.472 5.369 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.700 4.813 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.912 7.157 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.226 6.911 6.268 1.00 0.00 H new ATOM 257 N VAL A 18 -4.755 2.442 5.578 1.00 0.00 N ATOM 258 CA VAL A 18 -4.861 0.974 5.331 1.00 0.00 C ATOM 259 C VAL A 18 -6.259 0.497 5.712 1.00 0.00 C ATOM 260 O VAL A 18 -6.731 0.729 6.809 1.00 0.00 O ATOM 261 CB VAL A 18 -3.819 0.246 6.182 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.633 -1.179 5.656 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.485 0.999 6.108 1.00 0.00 C ATOM 0 H VAL A 18 -4.688 2.707 6.561 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.683 0.762 4.277 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.158 0.207 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.890 -1.697 6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.582 -1.713 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.294 -1.143 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.741 0.482 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.146 1.038 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.618 2.013 6.485 1.00 0.00 H new ATOM 273 N ARG A 19 -6.928 -0.169 4.802 1.00 0.00 N ATOM 274 CA ARG A 19 -8.307 -0.675 5.075 1.00 0.00 C ATOM 275 C ARG A 19 -8.286 -2.198 5.167 1.00 0.00 C ATOM 276 O ARG A 19 -7.536 -2.868 4.482 1.00 0.00 O ATOM 277 CB ARG A 19 -9.235 -0.245 3.941 1.00 0.00 C ATOM 278 CG ARG A 19 -9.371 1.280 3.954 1.00 0.00 C ATOM 279 CD ARG A 19 -10.213 1.730 2.758 1.00 0.00 C ATOM 280 NE ARG A 19 -11.593 1.169 2.873 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.514 1.800 3.554 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.238 2.923 4.157 1.00 0.00 N ATOM 283 NH2 ARG A 19 -13.716 1.298 3.634 1.00 0.00 N ATOM 0 H ARG A 19 -6.571 -0.385 3.871 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.666 -0.263 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.837 -0.579 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.213 -0.711 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.838 1.606 4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.385 1.744 3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.255 2.819 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.751 1.396 1.829 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.819 0.286 2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.298 3.315 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.962 3.409 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.933 0.418 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.438 1.786 4.164 1.00 0.00 H new ATOM 297 N LEU A 20 -9.105 -2.749 6.025 1.00 0.00 N ATOM 298 CA LEU A 20 -9.144 -4.230 6.194 1.00 0.00 C ATOM 299 C LEU A 20 -10.258 -4.818 5.330 1.00 0.00 C ATOM 300 O LEU A 20 -11.336 -4.270 5.220 1.00 0.00 O ATOM 301 CB LEU A 20 -9.408 -4.555 7.669 1.00 0.00 C ATOM 302 CG LEU A 20 -8.104 -4.436 8.477 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.123 -5.572 8.108 1.00 0.00 C ATOM 304 CD2 LEU A 20 -7.452 -3.074 8.192 1.00 0.00 C ATOM 0 H LEU A 20 -9.753 -2.232 6.619 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.191 -4.661 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.158 -3.874 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.811 -5.563 7.761 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.340 -4.519 9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.209 -5.467 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.584 -6.536 8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.884 -5.516 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.528 -2.986 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.230 -2.992 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.135 -2.276 8.483 1.00 0.00 H new ATOM 316 N SER A 21 -9.996 -5.939 4.712 1.00 0.00 N ATOM 317 CA SER A 21 -11.026 -6.572 3.847 1.00 0.00 C ATOM 318 C SER A 21 -10.795 -8.080 3.781 1.00 0.00 C ATOM 319 O SER A 21 -9.763 -8.584 4.186 1.00 0.00 O ATOM 320 CB SER A 21 -10.932 -5.989 2.440 1.00 0.00 C ATOM 321 OG SER A 21 -11.163 -4.587 2.499 1.00 0.00 O ATOM 0 H SER A 21 -9.111 -6.442 4.771 1.00 0.00 H new ATOM 0 HA SER A 21 -12.013 -6.376 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.949 -6.190 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.665 -6.463 1.787 1.00 0.00 H new ATOM 0 HG SER A 21 -11.102 -4.207 1.598 1.00 0.00 H new ATOM 327 N LYS A 22 -11.761 -8.803 3.268 1.00 0.00 N ATOM 328 CA LYS A 22 -11.637 -10.288 3.160 1.00 0.00 C ATOM 329 C LYS A 22 -11.399 -10.688 1.702 1.00 0.00 C ATOM 330 O LYS A 22 -11.794 -10.001 0.778 1.00 0.00 O ATOM 331 CB LYS A 22 -12.927 -10.936 3.671 1.00 0.00 C ATOM 332 CG LYS A 22 -14.129 -10.400 2.885 1.00 0.00 C ATOM 333 CD LYS A 22 -15.417 -10.999 3.458 1.00 0.00 C ATOM 334 CE LYS A 22 -16.620 -10.513 2.649 1.00 0.00 C ATOM 335 NZ LYS A 22 -16.718 -9.029 2.743 1.00 0.00 N ATOM 0 H LYS A 22 -12.639 -8.422 2.916 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.792 -10.627 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.866 -12.019 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.053 -10.726 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.162 -9.312 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.032 -10.658 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.366 -12.087 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.530 -10.710 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.517 -10.816 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.534 -10.973 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.673 -8.726 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.530 -8.730 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.019 -8.594 2.108 1.00 0.00 H new ATOM 349 N SER A 23 -10.736 -11.793 1.496 1.00 0.00 N ATOM 350 CA SER A 23 -10.439 -12.251 0.110 1.00 0.00 C ATOM 351 C SER A 23 -11.702 -12.795 -0.568 1.00 0.00 C ATOM 352 O SER A 23 -12.706 -13.060 0.064 1.00 0.00 O ATOM 353 CB SER A 23 -9.379 -13.352 0.166 1.00 0.00 C ATOM 354 OG SER A 23 -10.008 -14.596 0.441 1.00 0.00 O ATOM 0 H SER A 23 -10.385 -12.402 2.235 1.00 0.00 H new ATOM 0 HA SER A 23 -10.074 -11.403 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.842 -13.404 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.643 -13.125 0.937 1.00 0.00 H new ATOM 0 HG SER A 23 -9.331 -15.304 0.476 1.00 0.00 H new ATOM 360 N LYS A 24 -11.641 -12.959 -1.861 1.00 0.00 N ATOM 361 CA LYS A 24 -12.810 -13.486 -2.622 1.00 0.00 C ATOM 362 C LYS A 24 -13.136 -14.911 -2.146 1.00 0.00 C ATOM 363 O LYS A 24 -14.284 -15.305 -2.079 1.00 0.00 O ATOM 364 CB LYS A 24 -12.470 -13.501 -4.114 1.00 0.00 C ATOM 365 CG LYS A 24 -12.350 -12.061 -4.629 1.00 0.00 C ATOM 366 CD LYS A 24 -12.025 -12.071 -6.127 1.00 0.00 C ATOM 367 CE LYS A 24 -11.968 -10.633 -6.651 1.00 0.00 C ATOM 368 NZ LYS A 24 -10.880 -9.891 -5.952 1.00 0.00 N ATOM 0 H LYS A 24 -10.821 -12.748 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.678 -12.849 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.535 -14.036 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.243 -14.033 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.282 -11.523 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.569 -11.533 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.071 -12.569 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.782 -12.637 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.790 -10.633 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.925 -10.137 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.623 -9.049 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.209 -9.599 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.048 -10.507 -5.853 1.00 0.00 H new ATOM 382 N ASN A 25 -12.136 -15.683 -1.815 1.00 0.00 N ATOM 383 CA ASN A 25 -12.392 -17.077 -1.342 1.00 0.00 C ATOM 384 C ASN A 25 -12.681 -17.046 0.163 1.00 0.00 C ATOM 385 O ASN A 25 -12.934 -18.061 0.785 1.00 0.00 O ATOM 386 CB ASN A 25 -11.156 -17.944 -1.611 1.00 0.00 C ATOM 387 CG ASN A 25 -11.014 -18.193 -3.116 1.00 0.00 C ATOM 388 OD1 ASN A 25 -11.962 -18.034 -3.863 1.00 0.00 O ATOM 389 ND2 ASN A 25 -9.862 -18.579 -3.597 1.00 0.00 N ATOM 0 H ASN A 25 -11.154 -15.410 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.246 -17.497 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.263 -17.449 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.244 -18.893 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.758 -18.747 -4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.067 -18.712 -2.972 1.00 0.00 H new ATOM 396 N GLY A 26 -12.652 -15.879 0.748 1.00 0.00 N ATOM 397 CA GLY A 26 -12.932 -15.759 2.212 1.00 0.00 C ATOM 398 C GLY A 26 -12.036 -16.714 3.006 1.00 0.00 C ATOM 399 O GLY A 26 -12.506 -17.615 3.674 1.00 0.00 O ATOM 0 H GLY A 26 -12.446 -14.999 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.761 -14.733 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.980 -15.985 2.408 1.00 0.00 H new ATOM 403 N GLN A 27 -10.749 -16.517 2.945 1.00 0.00 N ATOM 404 CA GLN A 27 -9.819 -17.401 3.702 1.00 0.00 C ATOM 405 C GLN A 27 -8.516 -16.647 3.980 1.00 0.00 C ATOM 406 O GLN A 27 -8.202 -16.318 5.108 1.00 0.00 O ATOM 407 CB GLN A 27 -9.508 -18.653 2.876 1.00 0.00 C ATOM 408 CG GLN A 27 -8.550 -19.553 3.662 1.00 0.00 C ATOM 409 CD GLN A 27 -8.367 -20.884 2.929 1.00 0.00 C ATOM 410 OE1 GLN A 27 -9.142 -21.225 2.057 1.00 0.00 O ATOM 411 NE2 GLN A 27 -7.365 -21.656 3.253 1.00 0.00 N ATOM 0 H GLN A 27 -10.299 -15.780 2.402 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.286 -17.693 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.428 -19.192 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.061 -18.372 1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.586 -19.058 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.943 -19.730 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.715 -21.368 3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.232 -22.547 2.774 1.00 0.00 H new ATOM 420 N SER A 28 -7.749 -16.381 2.956 1.00 0.00 N ATOM 421 CA SER A 28 -6.457 -15.664 3.156 1.00 0.00 C ATOM 422 C SER A 28 -6.701 -14.194 3.516 1.00 0.00 C ATOM 423 O SER A 28 -7.669 -13.585 3.101 1.00 0.00 O ATOM 424 CB SER A 28 -5.623 -15.743 1.879 1.00 0.00 C ATOM 425 OG SER A 28 -4.421 -15.003 2.053 1.00 0.00 O ATOM 0 H SER A 28 -7.962 -16.630 1.990 1.00 0.00 H new ATOM 0 HA SER A 28 -5.921 -16.140 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.392 -16.783 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.189 -15.345 1.037 1.00 0.00 H new ATOM 0 HG SER A 28 -4.040 -15.200 2.934 1.00 0.00 H new ATOM 431 N GLY A 29 -5.816 -13.632 4.295 1.00 0.00 N ATOM 432 CA GLY A 29 -5.964 -12.210 4.712 1.00 0.00 C ATOM 433 C GLY A 29 -5.908 -11.288 3.495 1.00 0.00 C ATOM 434 O GLY A 29 -5.252 -11.567 2.511 1.00 0.00 O ATOM 0 H GLY A 29 -4.989 -14.103 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.911 -12.075 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.172 -11.946 5.413 1.00 0.00 H new ATOM 438 N MET A 30 -6.591 -10.176 3.563 1.00 0.00 N ATOM 439 CA MET A 30 -6.581 -9.214 2.426 1.00 0.00 C ATOM 440 C MET A 30 -6.559 -7.794 2.979 1.00 0.00 C ATOM 441 O MET A 30 -7.341 -7.439 3.839 1.00 0.00 O ATOM 442 CB MET A 30 -7.831 -9.418 1.574 1.00 0.00 C ATOM 443 CG MET A 30 -7.800 -8.459 0.384 1.00 0.00 C ATOM 444 SD MET A 30 -9.228 -8.778 -0.683 1.00 0.00 S ATOM 445 CE MET A 30 -8.894 -7.501 -1.924 1.00 0.00 C ATOM 0 H MET A 30 -7.158 -9.893 4.362 1.00 0.00 H new ATOM 0 HA MET A 30 -5.699 -9.380 1.808 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.880 -10.449 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.725 -9.242 2.173 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.817 -7.427 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.875 -8.590 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.836 -7.076 -2.271 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.282 -6.715 -1.481 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.363 -7.943 -2.767 1.00 0.00 H new ATOM 455 N ALA A 31 -5.659 -6.977 2.492 1.00 0.00 N ATOM 456 CA ALA A 31 -5.567 -5.570 2.984 1.00 0.00 C ATOM 457 C ALA A 31 -5.462 -4.627 1.793 1.00 0.00 C ATOM 458 O ALA A 31 -4.868 -4.948 0.782 1.00 0.00 O ATOM 459 CB ALA A 31 -4.324 -5.419 3.858 1.00 0.00 C ATOM 0 H ALA A 31 -4.981 -7.226 1.772 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.455 -5.328 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.255 -4.393 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.392 -6.098 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.436 -5.659 3.273 1.00 0.00 H new ATOM 465 N LYS A 32 -6.042 -3.460 1.910 1.00 0.00 N ATOM 466 CA LYS A 32 -6.003 -2.462 0.801 1.00 0.00 C ATOM 467 C LYS A 32 -5.340 -1.181 1.296 1.00 0.00 C ATOM 468 O LYS A 32 -5.428 -0.834 2.458 1.00 0.00 O ATOM 469 CB LYS A 32 -7.430 -2.152 0.352 1.00 0.00 C ATOM 470 CG LYS A 32 -8.037 -3.395 -0.301 1.00 0.00 C ATOM 471 CD LYS A 32 -9.469 -3.096 -0.744 1.00 0.00 C ATOM 472 CE LYS A 32 -10.069 -4.339 -1.403 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.475 -4.059 -1.807 1.00 0.00 N ATOM 0 H LYS A 32 -6.548 -3.153 2.740 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.434 -2.867 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.033 -1.845 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.429 -1.321 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.436 -3.697 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.030 -4.228 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.072 -2.799 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.478 -2.260 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.479 -4.622 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.039 -5.181 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.882 -4.905 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.034 -3.809 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.491 -3.268 -2.482 1.00 0.00 H new ATOM 487 N PHE A 33 -4.677 -0.474 0.416 1.00 0.00 N ATOM 488 CA PHE A 33 -3.996 0.797 0.805 1.00 0.00 C ATOM 489 C PHE A 33 -4.536 1.929 -0.060 1.00 0.00 C ATOM 490 O PHE A 33 -4.762 1.766 -1.245 1.00 0.00 O ATOM 491 CB PHE A 33 -2.493 0.649 0.575 1.00 0.00 C ATOM 492 CG PHE A 33 -1.906 -0.211 1.664 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.996 -1.604 1.578 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.280 0.384 2.765 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.457 -2.404 2.593 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.740 -0.413 3.778 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.827 -1.807 3.693 1.00 0.00 C ATOM 0 H PHE A 33 -4.578 -0.727 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.182 1.017 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.305 0.200 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.015 1.629 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.481 -2.063 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.214 1.460 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.527 -3.480 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.255 0.047 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.409 -2.423 4.475 1.00 0.00 H new ATOM 507 N TYR A 34 -4.750 3.076 0.534 1.00 0.00 N ATOM 508 CA TYR A 34 -5.287 4.242 -0.226 1.00 0.00 C ATOM 509 C TYR A 34 -4.234 5.346 -0.272 1.00 0.00 C ATOM 510 O TYR A 34 -3.757 5.809 0.749 1.00 0.00 O ATOM 511 CB TYR A 34 -6.539 4.760 0.475 1.00 0.00 C ATOM 512 CG TYR A 34 -7.144 5.874 -0.347 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.761 5.579 -1.567 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.090 7.197 0.110 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.324 6.605 -2.333 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.654 8.223 -0.656 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.270 7.928 -1.877 1.00 0.00 C ATOM 518 OH TYR A 34 -8.828 8.939 -2.632 1.00 0.00 O ATOM 0 H TYR A 34 -4.573 3.254 1.523 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.535 3.937 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.260 3.952 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.288 5.122 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.803 4.558 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.614 7.425 1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.800 6.377 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.614 9.243 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.142 9.654 -2.040 1.00 0.00 H new ATOM 528 N PHE A 35 -3.871 5.767 -1.457 1.00 0.00 N ATOM 529 CA PHE A 35 -2.847 6.842 -1.613 1.00 0.00 C ATOM 530 C PHE A 35 -3.519 8.086 -2.179 1.00 0.00 C ATOM 531 O PHE A 35 -4.078 8.066 -3.262 1.00 0.00 O ATOM 532 CB PHE A 35 -1.765 6.359 -2.575 1.00 0.00 C ATOM 533 CG PHE A 35 -1.020 5.211 -1.939 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.493 3.901 -2.085 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.140 5.457 -1.196 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.805 2.838 -1.489 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.827 4.393 -0.601 1.00 0.00 C ATOM 538 CZ PHE A 35 0.354 3.085 -0.748 1.00 0.00 C ATOM 0 H PHE A 35 -4.246 5.406 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.397 7.078 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.213 6.042 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.077 7.172 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.389 3.711 -2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.505 6.467 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.169 1.828 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.723 4.582 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.885 2.265 -0.288 1.00 0.00 H new ATOM 548 N LEU A 36 -3.483 9.170 -1.443 1.00 0.00 N ATOM 549 CA LEU A 36 -4.129 10.429 -1.916 1.00 0.00 C ATOM 550 C LEU A 36 -3.073 11.388 -2.472 1.00 0.00 C ATOM 551 O LEU A 36 -2.298 11.979 -1.744 1.00 0.00 O ATOM 552 CB LEU A 36 -4.864 11.085 -0.741 1.00 0.00 C ATOM 553 CG LEU A 36 -5.664 12.304 -1.228 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.768 11.871 -2.213 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.297 13.007 -0.019 1.00 0.00 C ATOM 0 H LEU A 36 -3.031 9.235 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.839 10.197 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.535 10.364 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.147 11.392 0.020 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.990 12.987 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.323 12.748 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.315 11.380 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.448 11.179 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.866 13.873 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.963 12.315 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.513 13.333 0.664 1.00 0.00 H new ATOM 567 N GLU A 37 -3.058 11.547 -3.770 1.00 0.00 N ATOM 568 CA GLU A 37 -2.079 12.465 -4.420 1.00 0.00 C ATOM 569 C GLU A 37 -0.666 12.215 -3.883 1.00 0.00 C ATOM 570 O GLU A 37 -0.049 13.093 -3.315 1.00 0.00 O ATOM 571 CB GLU A 37 -2.482 13.917 -4.158 1.00 0.00 C ATOM 572 CG GLU A 37 -3.764 14.227 -4.937 1.00 0.00 C ATOM 573 CD GLU A 37 -3.447 14.337 -6.431 1.00 0.00 C ATOM 574 OE1 GLU A 37 -2.478 14.998 -6.766 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.181 13.760 -7.218 1.00 0.00 O ATOM 0 H GLU A 37 -3.691 11.073 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.082 12.274 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.641 14.077 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.682 14.591 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.502 13.442 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.202 15.159 -4.579 1.00 0.00 H new ATOM 582 N PRO A 38 -0.147 11.029 -4.083 1.00 0.00 N ATOM 583 CA PRO A 38 1.232 10.674 -3.632 1.00 0.00 C ATOM 584 C PRO A 38 2.288 11.473 -4.417 1.00 0.00 C ATOM 585 O PRO A 38 3.464 11.163 -4.408 1.00 0.00 O ATOM 586 CB PRO A 38 1.333 9.162 -3.911 1.00 0.00 C ATOM 587 CG PRO A 38 0.315 8.893 -4.975 1.00 0.00 C ATOM 588 CD PRO A 38 -0.814 9.900 -4.757 1.00 0.00 C ATOM 0 HA PRO A 38 1.413 10.911 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.334 8.889 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.127 8.581 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.751 9.007 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.058 7.871 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.265 10.207 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.612 9.481 -4.143 1.00 0.00 H new ATOM 596 N THR A 39 1.855 12.513 -5.086 1.00 0.00 N ATOM 597 CA THR A 39 2.794 13.364 -5.871 1.00 0.00 C ATOM 598 C THR A 39 3.637 12.497 -6.808 1.00 0.00 C ATOM 599 O THR A 39 4.707 12.890 -7.233 1.00 0.00 O ATOM 600 CB THR A 39 3.704 14.136 -4.911 1.00 0.00 C ATOM 601 OG1 THR A 39 4.633 13.242 -4.314 1.00 0.00 O ATOM 602 CG2 THR A 39 2.851 14.793 -3.823 1.00 0.00 C ATOM 0 H THR A 39 0.880 12.809 -5.120 1.00 0.00 H new ATOM 0 HA THR A 39 2.221 14.069 -6.473 1.00 0.00 H new ATOM 0 HB THR A 39 4.247 14.904 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.406 12.321 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.496 15.343 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.140 15.480 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.309 14.024 -3.272 1.00 0.00 H new ATOM 610 N ILE A 40 3.166 11.321 -7.135 1.00 0.00 N ATOM 611 CA ILE A 40 3.939 10.429 -8.053 1.00 0.00 C ATOM 612 C ILE A 40 3.401 10.587 -9.484 1.00 0.00 C ATOM 613 O ILE A 40 4.012 10.155 -10.442 1.00 0.00 O ATOM 614 CB ILE A 40 3.780 8.970 -7.582 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.895 8.108 -8.185 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.405 8.410 -8.009 1.00 0.00 C ATOM 617 CD1 ILE A 40 4.871 6.723 -7.537 1.00 0.00 C ATOM 0 H ILE A 40 2.279 10.939 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 40 4.995 10.698 -8.040 1.00 0.00 H new ATOM 0 HB ILE A 40 3.846 8.946 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.759 8.020 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.864 8.581 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.310 7.379 -7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.613 9.013 -7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.320 8.442 -9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.663 6.108 -7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.027 6.821 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.906 6.252 -7.722 1.00 0.00 H new ATOM 629 N LEU A 41 2.256 11.198 -9.627 1.00 0.00 N ATOM 630 CA LEU A 41 1.667 11.388 -10.987 1.00 0.00 C ATOM 631 C LEU A 41 2.550 12.340 -11.797 1.00 0.00 C ATOM 632 O LEU A 41 2.769 12.156 -12.980 1.00 0.00 O ATOM 633 CB LEU A 41 0.266 11.988 -10.854 1.00 0.00 C ATOM 634 CG LEU A 41 -0.673 10.980 -10.172 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.997 11.674 -9.829 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.939 9.774 -11.096 1.00 0.00 C ATOM 0 H LEU A 41 1.700 11.575 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 41 1.607 10.425 -11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.309 12.909 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.121 12.251 -11.838 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.200 10.617 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.666 10.962 -9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.806 12.509 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.461 12.044 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.606 9.072 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.403 10.119 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.004 9.278 -11.327 1.00 0.00 H new ATOM 648 N ALA A 42 3.045 13.364 -11.163 1.00 0.00 N ATOM 649 CA ALA A 42 3.907 14.344 -11.878 1.00 0.00 C ATOM 650 C ALA A 42 5.310 13.761 -12.051 1.00 0.00 C ATOM 651 O ALA A 42 6.109 14.254 -12.826 1.00 0.00 O ATOM 652 CB ALA A 42 3.989 15.626 -11.050 1.00 0.00 C ATOM 0 H ALA A 42 2.889 13.566 -10.175 1.00 0.00 H new ATOM 0 HA ALA A 42 3.484 14.561 -12.859 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.619 16.352 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.989 16.040 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.418 15.402 -10.073 1.00 0.00 H new ATOM 658 N LYS A 43 5.617 12.712 -11.335 1.00 0.00 N ATOM 659 CA LYS A 43 6.969 12.085 -11.455 1.00 0.00 C ATOM 660 C LYS A 43 6.890 10.860 -12.365 1.00 0.00 C ATOM 661 O LYS A 43 7.506 10.816 -13.414 1.00 0.00 O ATOM 662 CB LYS A 43 7.448 11.649 -10.074 1.00 0.00 C ATOM 663 CG LYS A 43 7.782 12.885 -9.232 1.00 0.00 C ATOM 664 CD LYS A 43 8.182 12.458 -7.812 1.00 0.00 C ATOM 665 CE LYS A 43 9.616 11.908 -7.805 1.00 0.00 C ATOM 666 NZ LYS A 43 10.087 11.769 -6.399 1.00 0.00 N ATOM 0 H LYS A 43 4.989 12.260 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 43 7.665 12.809 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.677 11.058 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.327 11.012 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.595 13.443 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.921 13.552 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.108 13.309 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.492 11.698 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.649 10.942 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.276 12.577 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.031 11.334 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.135 12.708 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.424 11.168 -5.869 1.00 0.00 H new ATOM 680 N GLU A 44 6.139 9.859 -11.965 1.00 0.00 N ATOM 681 CA GLU A 44 6.014 8.619 -12.791 1.00 0.00 C ATOM 682 C GLU A 44 4.551 8.400 -13.184 1.00 0.00 C ATOM 683 O GLU A 44 3.641 8.598 -12.401 1.00 0.00 O ATOM 684 CB GLU A 44 6.521 7.419 -11.989 1.00 0.00 C ATOM 685 CG GLU A 44 6.436 6.163 -12.853 1.00 0.00 C ATOM 686 CD GLU A 44 7.024 4.971 -12.098 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.220 5.091 -10.899 1.00 0.00 O ATOM 688 OE2 GLU A 44 7.269 3.957 -12.730 1.00 0.00 O ATOM 0 H GLU A 44 5.605 9.850 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 44 6.611 8.727 -13.696 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.550 7.587 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.925 7.293 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.398 5.962 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.977 6.316 -13.787 1.00 0.00 H new ATOM 695 N SER A 45 4.326 7.999 -14.407 1.00 0.00 N ATOM 696 CA SER A 45 2.935 7.773 -14.888 1.00 0.00 C ATOM 697 C SER A 45 2.335 6.522 -14.241 1.00 0.00 C ATOM 698 O SER A 45 3.029 5.583 -13.900 1.00 0.00 O ATOM 699 CB SER A 45 2.958 7.599 -16.406 1.00 0.00 C ATOM 700 OG SER A 45 3.739 8.637 -16.981 1.00 0.00 O ATOM 0 H SER A 45 5.054 7.817 -15.098 1.00 0.00 H new ATOM 0 HA SER A 45 2.321 8.631 -14.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.375 6.626 -16.667 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.943 7.628 -16.803 1.00 0.00 H new ATOM 0 HG SER A 45 3.759 8.530 -17.955 1.00 0.00 H new ATOM 706 N THR A 46 1.040 6.513 -14.078 1.00 0.00 N ATOM 707 CA THR A 46 0.355 5.341 -13.461 1.00 0.00 C ATOM 708 C THR A 46 0.628 4.083 -14.292 1.00 0.00 C ATOM 709 O THR A 46 0.849 3.010 -13.764 1.00 0.00 O ATOM 710 CB THR A 46 -1.150 5.604 -13.439 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.586 5.931 -14.752 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.460 6.768 -12.495 1.00 0.00 C ATOM 0 H THR A 46 0.420 7.276 -14.349 1.00 0.00 H new ATOM 0 HA THR A 46 0.729 5.194 -12.448 1.00 0.00 H new ATOM 0 HB THR A 46 -1.669 4.712 -13.089 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.983 6.827 -14.751 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.534 6.951 -12.483 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.123 6.520 -11.488 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.943 7.664 -12.840 1.00 0.00 H new ATOM 720 N ASP A 47 0.604 4.211 -15.586 1.00 0.00 N ATOM 721 CA ASP A 47 0.855 3.033 -16.462 1.00 0.00 C ATOM 722 C ASP A 47 2.333 2.639 -16.386 1.00 0.00 C ATOM 723 O ASP A 47 2.721 1.556 -16.781 1.00 0.00 O ATOM 724 CB ASP A 47 0.498 3.393 -17.902 1.00 0.00 C ATOM 725 CG ASP A 47 -1.018 3.549 -18.037 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.718 3.151 -17.121 1.00 0.00 O ATOM 727 OD2 ASP A 47 -1.451 4.070 -19.051 1.00 0.00 O ATOM 0 H ASP A 47 0.421 5.085 -16.079 1.00 0.00 H new ATOM 0 HA ASP A 47 0.242 2.195 -16.129 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.995 4.320 -18.189 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.855 2.617 -18.580 1.00 0.00 H new ATOM 732 N ASP A 48 3.164 3.512 -15.882 1.00 0.00 N ATOM 733 CA ASP A 48 4.618 3.192 -15.774 1.00 0.00 C ATOM 734 C ASP A 48 4.892 2.568 -14.406 1.00 0.00 C ATOM 735 O ASP A 48 5.977 2.090 -14.131 1.00 0.00 O ATOM 736 CB ASP A 48 5.432 4.480 -15.915 1.00 0.00 C ATOM 737 CG ASP A 48 5.359 4.987 -17.354 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.835 4.269 -18.188 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.828 6.087 -17.596 1.00 0.00 O ATOM 0 H ASP A 48 2.898 4.435 -15.540 1.00 0.00 H new ATOM 0 HA ASP A 48 4.901 2.494 -16.562 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.049 5.239 -15.233 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.470 4.297 -15.637 1.00 0.00 H new ATOM 744 N ILE A 49 3.910 2.564 -13.542 1.00 0.00 N ATOM 745 CA ILE A 49 4.108 1.967 -12.190 1.00 0.00 C ATOM 746 C ILE A 49 3.705 0.499 -12.229 1.00 0.00 C ATOM 747 O ILE A 49 2.552 0.163 -12.426 1.00 0.00 O ATOM 748 CB ILE A 49 3.247 2.711 -11.163 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.789 4.134 -10.987 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.282 1.975 -9.820 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.828 4.962 -10.134 1.00 0.00 C ATOM 0 H ILE A 49 2.981 2.948 -13.715 1.00 0.00 H new ATOM 0 HA ILE A 49 5.156 2.053 -11.903 1.00 0.00 H new ATOM 0 HB ILE A 49 2.217 2.752 -11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.771 4.101 -10.514 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.920 4.605 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.668 2.510 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.894 0.965 -9.949 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.309 1.926 -9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.223 5.971 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.855 5.009 -10.623 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.719 4.498 -9.154 1.00 0.00 H new ATOM 763 N THR A 50 4.655 -0.382 -12.037 1.00 0.00 N ATOM 764 CA THR A 50 4.353 -1.842 -12.056 1.00 0.00 C ATOM 765 C THR A 50 4.941 -2.504 -10.812 1.00 0.00 C ATOM 766 O THR A 50 6.118 -2.402 -10.526 1.00 0.00 O ATOM 767 CB THR A 50 4.953 -2.468 -13.322 1.00 0.00 C ATOM 768 OG1 THR A 50 5.006 -3.879 -13.174 1.00 0.00 O ATOM 769 CG2 THR A 50 6.360 -1.920 -13.566 1.00 0.00 C ATOM 0 H THR A 50 5.633 -0.148 -11.867 1.00 0.00 H new ATOM 0 HA THR A 50 3.274 -1.994 -12.059 1.00 0.00 H new ATOM 0 HB THR A 50 4.325 -2.215 -14.176 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.388 -4.279 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.775 -2.372 -14.467 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.313 -0.838 -13.691 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.996 -2.159 -12.714 1.00 0.00 H new ATOM 777 N GLY A 51 4.115 -3.193 -10.074 1.00 0.00 N ATOM 778 CA GLY A 51 4.590 -3.889 -8.845 1.00 0.00 C ATOM 779 C GLY A 51 4.694 -2.910 -7.673 1.00 0.00 C ATOM 780 O GLY A 51 4.830 -1.714 -7.851 1.00 0.00 O ATOM 0 H GLY A 51 3.121 -3.305 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.904 -4.697 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.563 -4.344 -9.032 1.00 0.00 H new ATOM 784 N MET A 52 4.641 -3.426 -6.471 1.00 0.00 N ATOM 785 CA MET A 52 4.746 -2.561 -5.259 1.00 0.00 C ATOM 786 C MET A 52 5.749 -3.191 -4.294 1.00 0.00 C ATOM 787 O MET A 52 5.653 -4.353 -3.954 1.00 0.00 O ATOM 788 CB MET A 52 3.379 -2.458 -4.580 1.00 0.00 C ATOM 789 CG MET A 52 3.487 -1.543 -3.360 1.00 0.00 C ATOM 790 SD MET A 52 1.869 -1.391 -2.568 1.00 0.00 S ATOM 791 CE MET A 52 2.175 0.168 -1.699 1.00 0.00 C ATOM 0 H MET A 52 4.528 -4.421 -6.277 1.00 0.00 H new ATOM 0 HA MET A 52 5.078 -1.563 -5.544 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.642 -2.064 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.035 -3.447 -4.277 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.212 -1.947 -2.653 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.849 -0.560 -3.661 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.860 0.073 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.239 0.402 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.611 0.968 -2.178 1.00 0.00 H new ATOM 801 N TYR A 53 6.722 -2.427 -3.857 1.00 0.00 N ATOM 802 CA TYR A 53 7.753 -2.968 -2.918 1.00 0.00 C ATOM 803 C TYR A 53 7.554 -2.360 -1.531 1.00 0.00 C ATOM 804 O TYR A 53 7.830 -1.198 -1.299 1.00 0.00 O ATOM 805 CB TYR A 53 9.137 -2.599 -3.447 1.00 0.00 C ATOM 806 CG TYR A 53 9.359 -3.291 -4.769 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.771 -2.777 -5.931 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.149 -4.445 -4.835 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.973 -3.416 -7.159 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.352 -5.082 -6.064 1.00 0.00 C ATOM 811 CZ TYR A 53 9.763 -4.568 -7.225 1.00 0.00 C ATOM 812 OH TYR A 53 9.961 -5.199 -8.437 1.00 0.00 O ATOM 0 H TYR A 53 6.846 -1.447 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 53 7.659 -4.052 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.217 -1.519 -3.569 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.905 -2.897 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.161 -1.887 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.601 -4.843 -3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.519 -3.020 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.963 -5.971 -6.117 1.00 0.00 H new ATOM 0 HH TYR A 53 10.535 -5.983 -8.308 1.00 0.00 H new ATOM 822 N LEU A 54 7.078 -3.149 -0.605 1.00 0.00 N ATOM 823 CA LEU A 54 6.854 -2.653 0.782 1.00 0.00 C ATOM 824 C LEU A 54 8.020 -3.079 1.664 1.00 0.00 C ATOM 825 O LEU A 54 8.401 -4.234 1.688 1.00 0.00 O ATOM 826 CB LEU A 54 5.544 -3.236 1.316 1.00 0.00 C ATOM 827 CG LEU A 54 4.349 -2.470 0.715 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.091 -3.342 0.774 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.094 -1.177 1.508 1.00 0.00 C ATOM 0 H LEU A 54 6.832 -4.128 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 54 6.788 -1.565 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.475 -4.294 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.522 -3.168 2.404 1.00 0.00 H new ATOM 0 HG LEU A 54 4.581 -2.223 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.249 -2.796 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.255 -4.257 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.872 -3.595 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.248 -0.645 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.873 -1.425 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.980 -0.544 1.467 1.00 0.00 H new ATOM 841 N ILE A 55 8.598 -2.146 2.381 1.00 0.00 N ATOM 842 CA ILE A 55 9.757 -2.469 3.264 1.00 0.00 C ATOM 843 C ILE A 55 9.459 -2.045 4.700 1.00 0.00 C ATOM 844 O ILE A 55 9.084 -0.919 4.962 1.00 0.00 O ATOM 845 CB ILE A 55 10.984 -1.725 2.752 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.357 -2.267 1.369 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.149 -1.939 3.718 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.349 -1.322 0.698 1.00 0.00 C ATOM 0 H ILE A 55 8.312 -1.167 2.391 1.00 0.00 H new ATOM 0 HA ILE A 55 9.939 -3.544 3.250 1.00 0.00 H new ATOM 0 HB ILE A 55 10.767 -0.659 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.793 -3.261 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.463 -2.368 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.027 -1.407 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.879 -1.559 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.373 -3.003 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.613 -1.710 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.896 -0.336 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.248 -1.244 1.310 1.00 0.00 H new ATOM 860 N ASP A 56 9.628 -2.950 5.635 1.00 0.00 N ATOM 861 CA ASP A 56 9.363 -2.616 7.066 1.00 0.00 C ATOM 862 C ASP A 56 10.685 -2.302 7.779 1.00 0.00 C ATOM 863 O ASP A 56 11.501 -1.541 7.298 1.00 0.00 O ATOM 864 CB ASP A 56 8.686 -3.804 7.760 1.00 0.00 C ATOM 865 CG ASP A 56 9.657 -4.986 7.833 1.00 0.00 C ATOM 866 OD1 ASP A 56 10.415 -5.162 6.896 1.00 0.00 O ATOM 867 OD2 ASP A 56 9.619 -5.695 8.825 1.00 0.00 O ATOM 0 H ASP A 56 9.939 -3.907 5.466 1.00 0.00 H new ATOM 0 HA ASP A 56 8.708 -1.746 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.370 -3.519 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.788 -4.093 7.213 1.00 0.00 H new ATOM 872 N ASP A 57 10.889 -2.880 8.932 1.00 0.00 N ATOM 873 CA ASP A 57 12.143 -2.626 9.698 1.00 0.00 C ATOM 874 C ASP A 57 13.364 -3.122 8.910 1.00 0.00 C ATOM 875 O ASP A 57 14.385 -2.464 8.850 1.00 0.00 O ATOM 876 CB ASP A 57 12.065 -3.369 11.032 1.00 0.00 C ATOM 877 CG ASP A 57 11.066 -2.668 11.954 1.00 0.00 C ATOM 878 OD1 ASP A 57 10.700 -1.544 11.654 1.00 0.00 O ATOM 879 OD2 ASP A 57 10.679 -3.269 12.943 1.00 0.00 O ATOM 0 H ASP A 57 10.235 -3.522 9.379 1.00 0.00 H new ATOM 0 HA ASP A 57 12.249 -1.554 9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.759 -4.402 10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.049 -3.399 11.501 1.00 0.00 H new ATOM 884 N GLU A 58 13.276 -4.281 8.319 1.00 0.00 N ATOM 885 CA GLU A 58 14.436 -4.827 7.547 1.00 0.00 C ATOM 886 C GLU A 58 13.918 -5.694 6.399 1.00 0.00 C ATOM 887 O GLU A 58 14.320 -5.543 5.258 1.00 0.00 O ATOM 888 CB GLU A 58 15.316 -5.682 8.475 1.00 0.00 C ATOM 889 CG GLU A 58 16.073 -4.774 9.450 1.00 0.00 C ATOM 890 CD GLU A 58 16.981 -5.614 10.352 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.007 -6.822 10.182 1.00 0.00 O ATOM 892 OE2 GLU A 58 17.639 -5.030 11.197 1.00 0.00 O ATOM 0 H GLU A 58 12.449 -4.878 8.335 1.00 0.00 H new ATOM 0 HA GLU A 58 15.026 -4.002 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.698 -6.390 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.022 -6.267 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.668 -4.048 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.366 -4.209 10.057 1.00 0.00 H new ATOM 899 N GLY A 59 13.035 -6.606 6.696 1.00 0.00 N ATOM 900 CA GLY A 59 12.483 -7.503 5.640 1.00 0.00 C ATOM 901 C GLY A 59 11.741 -6.692 4.576 1.00 0.00 C ATOM 902 O GLY A 59 11.478 -5.514 4.741 1.00 0.00 O ATOM 0 H GLY A 59 12.668 -6.770 7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.292 -8.067 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.805 -8.229 6.090 1.00 0.00 H new ATOM 906 N GLU A 60 11.402 -7.322 3.475 1.00 0.00 N ATOM 907 CA GLU A 60 10.678 -6.602 2.386 1.00 0.00 C ATOM 908 C GLU A 60 9.605 -7.502 1.779 1.00 0.00 C ATOM 909 O GLU A 60 9.682 -8.715 1.831 1.00 0.00 O ATOM 910 CB GLU A 60 11.670 -6.177 1.302 1.00 0.00 C ATOM 911 CG GLU A 60 12.366 -7.407 0.720 1.00 0.00 C ATOM 912 CD GLU A 60 13.373 -6.964 -0.341 1.00 0.00 C ATOM 913 OE1 GLU A 60 13.100 -5.985 -1.015 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.404 -7.607 -0.459 1.00 0.00 O ATOM 0 H GLU A 60 11.597 -8.305 3.287 1.00 0.00 H new ATOM 0 HA GLU A 60 10.199 -5.718 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.149 -5.636 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.409 -5.495 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.873 -7.960 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.631 -8.081 0.281 1.00 0.00 H new ATOM 921 N ILE A 61 8.599 -6.898 1.198 1.00 0.00 N ATOM 922 CA ILE A 61 7.488 -7.679 0.565 1.00 0.00 C ATOM 923 C ILE A 61 7.228 -7.140 -0.842 1.00 0.00 C ATOM 924 O ILE A 61 7.201 -5.944 -1.064 1.00 0.00 O ATOM 925 CB ILE A 61 6.218 -7.546 1.399 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.430 -8.209 2.762 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.059 -8.232 0.672 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.278 -7.832 3.695 1.00 0.00 C ATOM 0 H ILE A 61 8.498 -5.885 1.134 1.00 0.00 H new ATOM 0 HA ILE A 61 7.774 -8.730 0.511 1.00 0.00 H new ATOM 0 HB ILE A 61 5.985 -6.491 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.481 -9.292 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.380 -7.889 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.150 -8.138 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.908 -7.760 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.292 -9.287 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.427 -8.303 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.249 -6.749 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.336 -8.174 3.267 1.00 0.00 H new ATOM 940 N ILE A 62 7.045 -8.020 -1.796 1.00 0.00 N ATOM 941 CA ILE A 62 6.791 -7.585 -3.202 1.00 0.00 C ATOM 942 C ILE A 62 5.492 -8.207 -3.708 1.00 0.00 C ATOM 943 O ILE A 62 5.254 -9.390 -3.560 1.00 0.00 O ATOM 944 CB ILE A 62 7.955 -8.040 -4.086 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.271 -7.379 -3.598 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.667 -7.630 -5.537 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.992 -8.298 -2.603 1.00 0.00 C ATOM 0 H ILE A 62 7.061 -9.030 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 62 6.704 -6.499 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 62 8.064 -9.123 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.920 -7.173 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.052 -6.421 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.490 -7.950 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.744 -8.102 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.562 -6.547 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.914 -7.821 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.347 -8.482 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.229 -9.245 -3.088 1.00 0.00 H new ATOM 959 N THR A 63 4.645 -7.412 -4.310 1.00 0.00 N ATOM 960 CA THR A 63 3.356 -7.946 -4.833 1.00 0.00 C ATOM 961 C THR A 63 3.002 -7.241 -6.142 1.00 0.00 C ATOM 962 O THR A 63 3.370 -6.104 -6.372 1.00 0.00 O ATOM 963 CB THR A 63 2.239 -7.705 -3.810 1.00 0.00 C ATOM 964 OG1 THR A 63 0.991 -8.061 -4.389 1.00 0.00 O ATOM 965 CG2 THR A 63 2.210 -6.230 -3.404 1.00 0.00 C ATOM 0 H THR A 63 4.793 -6.414 -4.461 1.00 0.00 H new ATOM 0 HA THR A 63 3.460 -9.016 -5.010 1.00 0.00 H new ATOM 0 HB THR A 63 2.424 -8.314 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.274 -7.910 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.414 -6.068 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.167 -5.956 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.028 -5.614 -4.285 1.00 0.00 H new ATOM 973 N ARG A 64 2.284 -7.916 -7.001 1.00 0.00 N ATOM 974 CA ARG A 64 1.879 -7.319 -8.310 1.00 0.00 C ATOM 975 C ARG A 64 0.404 -6.925 -8.242 1.00 0.00 C ATOM 976 O ARG A 64 -0.181 -6.475 -9.210 1.00 0.00 O ATOM 977 CB ARG A 64 2.095 -8.357 -9.415 1.00 0.00 C ATOM 978 CG ARG A 64 3.590 -8.711 -9.531 1.00 0.00 C ATOM 979 CD ARG A 64 4.331 -7.640 -10.348 1.00 0.00 C ATOM 980 NE ARG A 64 5.748 -8.052 -10.548 1.00 0.00 N ATOM 981 CZ ARG A 64 6.065 -8.913 -11.476 1.00 0.00 C ATOM 982 NH1 ARG A 64 5.145 -9.437 -12.237 1.00 0.00 N ATOM 983 NH2 ARG A 64 7.314 -9.248 -11.641 1.00 0.00 N ATOM 0 H ARG A 64 1.956 -8.870 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 64 2.477 -6.433 -8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.517 -9.255 -9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.732 -7.967 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.030 -8.789 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.704 -9.685 -10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.843 -7.502 -11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.290 -6.682 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 64 6.478 -7.658 -9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.168 -9.175 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.403 -10.109 -12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.035 -8.838 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.570 -9.920 -12.364 1.00 0.00 H new ATOM 997 N GLU A 65 -0.203 -7.094 -7.101 1.00 0.00 N ATOM 998 CA GLU A 65 -1.640 -6.731 -6.957 1.00 0.00 C ATOM 999 C GLU A 65 -1.760 -5.224 -6.718 1.00 0.00 C ATOM 1000 O GLU A 65 -1.934 -4.775 -5.601 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.237 -7.495 -5.772 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.261 -8.993 -6.090 1.00 0.00 C ATOM 1003 CD GLU A 65 -3.278 -9.270 -7.203 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -4.016 -8.362 -7.548 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -3.293 -10.385 -7.699 1.00 0.00 O ATOM 0 H GLU A 65 0.235 -7.469 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.181 -6.995 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.647 -7.313 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.247 -7.139 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.270 -9.325 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.522 -9.560 -5.196 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.661 -4.440 -7.768 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.756 -2.951 -7.629 1.00 0.00 C ATOM 1014 C VAL A 66 -2.839 -2.411 -8.566 1.00 0.00 C ATOM 1015 O VAL A 66 -2.922 -2.794 -9.717 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.415 -2.317 -7.987 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.530 -0.795 -7.900 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.650 -2.806 -7.002 1.00 0.00 C ATOM 0 H VAL A 66 -1.517 -4.772 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.013 -2.704 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.135 -2.600 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.428 -0.343 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.293 -0.447 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.807 -0.508 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.611 -2.357 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.368 -2.519 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.730 -3.891 -7.062 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.670 -1.517 -8.078 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.755 -0.936 -8.930 1.00 0.00 C ATOM 1030 C LYS A 67 -4.741 0.586 -8.809 1.00 0.00 C ATOM 1031 O LYS A 67 -4.591 1.137 -7.735 1.00 0.00 O ATOM 1032 CB LYS A 67 -6.111 -1.471 -8.470 1.00 0.00 C ATOM 1033 CG LYS A 67 -6.198 -2.960 -8.802 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.540 -3.513 -8.328 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.602 -5.010 -8.621 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.635 -5.227 -10.096 1.00 0.00 N ATOM 0 H LYS A 67 -3.641 -1.165 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.587 -1.219 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.232 -1.317 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.917 -0.928 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.090 -3.110 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.381 -3.498 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.663 -3.335 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.357 -2.998 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.737 -5.512 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.488 -5.446 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.978 -6.188 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.272 -4.532 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.677 -5.113 -10.485 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.887 1.269 -9.916 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.875 2.762 -9.898 1.00 0.00 C ATOM 1052 C GLY A 68 -6.306 3.307 -9.887 1.00 0.00 C ATOM 1053 O GLY A 68 -7.186 2.788 -10.546 1.00 0.00 O ATOM 0 H GLY A 68 -5.015 0.852 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.337 3.117 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.342 3.138 -10.771 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.537 4.366 -9.148 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.900 4.974 -9.093 1.00 0.00 C ATOM 1059 C LYS A 69 -7.951 6.196 -10.016 1.00 0.00 C ATOM 1060 O LYS A 69 -7.387 7.242 -9.724 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.211 5.392 -7.650 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.718 4.179 -6.865 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.016 4.589 -5.423 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.682 3.425 -4.690 1.00 0.00 C ATOM 1065 NZ LYS A 69 -9.972 3.826 -3.286 1.00 0.00 N ATOM 0 H LYS A 69 -5.834 4.836 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.642 4.247 -9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.317 5.797 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.961 6.183 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.618 3.780 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.971 3.385 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.094 4.872 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.668 5.462 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.604 3.142 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.030 2.552 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.834 3.010 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.329 4.593 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.956 4.155 -3.215 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.626 6.054 -11.133 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.736 7.174 -12.111 1.00 0.00 C ATOM 1081 C PHE A 70 -10.102 7.844 -11.973 1.00 0.00 C ATOM 1082 O PHE A 70 -11.104 7.197 -11.730 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.605 6.622 -13.531 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.286 5.902 -13.679 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.124 6.624 -13.970 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.229 4.512 -13.529 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.902 5.954 -14.112 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.009 3.843 -13.672 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.846 4.564 -13.962 1.00 0.00 C ATOM 0 H PHE A 70 -9.109 5.199 -11.408 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.946 7.899 -11.915 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.428 5.940 -13.743 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.670 7.435 -14.255 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.169 7.697 -14.085 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.127 3.956 -13.303 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.004 6.510 -14.337 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.965 2.770 -13.559 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.904 4.047 -14.070 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.145 9.142 -12.140 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.432 9.893 -12.038 1.00 0.00 C ATOM 1101 C ILE A 71 -11.696 10.616 -13.360 1.00 0.00 C ATOM 1102 O ILE A 71 -10.811 11.228 -13.927 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.342 10.905 -10.898 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.177 10.145 -9.576 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.624 11.741 -10.858 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.924 11.129 -8.432 1.00 0.00 C ATOM 0 H ILE A 71 -9.331 9.721 -12.346 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.250 9.202 -11.835 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.489 11.567 -11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.073 9.559 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.347 9.443 -9.652 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.562 12.464 -10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.744 12.269 -11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.480 11.086 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.808 10.579 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.015 11.696 -8.634 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.768 11.814 -8.348 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.907 10.526 -13.858 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.261 11.182 -15.158 1.00 0.00 C ATOM 1120 C ASN A 72 -12.558 12.538 -15.285 1.00 0.00 C ATOM 1121 O ASN A 72 -13.054 13.559 -14.843 1.00 0.00 O ATOM 1122 CB ASN A 72 -14.776 11.392 -15.226 1.00 0.00 C ATOM 1123 CG ASN A 72 -15.493 10.059 -14.996 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.552 9.226 -15.879 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -16.043 9.822 -13.835 1.00 0.00 N ATOM 0 H ASN A 72 -13.674 10.020 -13.414 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.936 10.537 -15.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.086 12.117 -14.474 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.053 11.802 -16.197 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.522 8.937 -13.669 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.993 10.522 -13.095 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.400 12.548 -15.889 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.642 13.822 -16.053 1.00 0.00 C ATOM 1134 C GLY A 73 -9.147 13.515 -16.027 1.00 0.00 C ATOM 1135 O GLY A 73 -8.434 13.763 -16.979 1.00 0.00 O ATOM 0 H GLY A 73 -10.944 11.723 -16.278 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.912 14.303 -16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.898 14.518 -15.254 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.664 12.965 -14.945 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.214 12.639 -14.873 1.00 0.00 C ATOM 1141 C ARG A 74 -6.924 11.888 -13.560 1.00 0.00 C ATOM 1142 O ARG A 74 -7.629 12.051 -12.587 1.00 0.00 O ATOM 1143 CB ARG A 74 -6.394 13.937 -14.916 1.00 0.00 C ATOM 1144 CG ARG A 74 -7.089 15.014 -14.082 1.00 0.00 C ATOM 1145 CD ARG A 74 -6.142 16.203 -13.887 1.00 0.00 C ATOM 1146 NE ARG A 74 -4.868 15.734 -13.267 1.00 0.00 N ATOM 1147 CZ ARG A 74 -3.781 16.458 -13.350 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -3.797 17.601 -13.978 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -2.676 16.034 -12.800 1.00 0.00 N ATOM 0 H ARG A 74 -9.208 12.730 -14.115 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.939 12.010 -15.720 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.390 13.757 -14.531 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.285 14.275 -15.946 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.002 15.341 -14.580 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.382 14.607 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.938 16.679 -14.846 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.612 16.954 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.844 14.841 -12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.660 17.935 -14.408 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.947 18.161 -14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.661 15.141 -12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.827 16.596 -12.863 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.879 11.085 -13.524 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.501 10.329 -12.292 1.00 0.00 C ATOM 1165 C PRO A 75 -5.542 11.213 -11.036 1.00 0.00 C ATOM 1166 O PRO A 75 -5.134 12.360 -11.053 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.060 9.869 -12.572 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.930 9.822 -14.066 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.968 10.796 -14.645 1.00 0.00 C ATOM 0 HA PRO A 75 -6.190 9.508 -12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.337 10.560 -12.138 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.869 8.890 -12.132 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.923 10.106 -14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.103 8.811 -14.435 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.494 11.706 -15.014 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.502 10.352 -15.485 1.00 0.00 H new ATOM 1177 N THR A 76 -6.046 10.680 -9.951 1.00 0.00 N ATOM 1178 CA THR A 76 -6.137 11.464 -8.685 1.00 0.00 C ATOM 1179 C THR A 76 -5.610 10.631 -7.518 1.00 0.00 C ATOM 1180 O THR A 76 -5.093 11.162 -6.552 1.00 0.00 O ATOM 1181 CB THR A 76 -7.601 11.809 -8.427 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.123 12.512 -9.545 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.712 12.678 -7.175 1.00 0.00 C ATOM 0 H THR A 76 -6.401 9.726 -9.890 1.00 0.00 H new ATOM 0 HA THR A 76 -5.542 12.373 -8.776 1.00 0.00 H new ATOM 0 HB THR A 76 -8.170 10.891 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.682 13.254 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.759 12.923 -6.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.313 12.135 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.144 13.597 -7.319 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.736 9.329 -7.577 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.241 8.500 -6.438 1.00 0.00 C ATOM 1193 C ALA A 77 -4.861 7.104 -6.917 1.00 0.00 C ATOM 1194 O ALA A 77 -5.233 6.676 -7.993 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.337 8.384 -5.378 1.00 0.00 C ATOM 0 H ALA A 77 -6.153 8.812 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.360 8.982 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.976 7.779 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.600 9.378 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.217 7.912 -5.815 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.119 6.385 -6.106 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.699 4.998 -6.474 1.00 0.00 C ATOM 1203 C ILE A 78 -4.046 4.046 -5.335 1.00 0.00 C ATOM 1204 O ILE A 78 -4.078 4.426 -4.180 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.190 4.962 -6.723 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -1.866 5.812 -7.953 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.748 3.513 -6.965 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.351 5.995 -8.071 1.00 0.00 C ATOM 0 H ILE A 78 -3.785 6.705 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.221 4.693 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.662 5.359 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.255 5.332 -8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.354 6.783 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.673 3.485 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.987 2.909 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.270 3.114 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.125 6.601 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.026 6.494 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.127 5.020 -8.170 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.319 2.805 -5.657 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.679 1.804 -4.609 1.00 0.00 C ATOM 1222 C GLU A 79 -3.784 0.576 -4.742 1.00 0.00 C ATOM 1223 O GLU A 79 -3.327 0.234 -5.815 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.134 1.388 -4.797 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.539 0.405 -3.694 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.006 0.008 -3.867 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.555 0.280 -4.922 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.555 -0.568 -2.941 1.00 0.00 O ATOM 0 H GLU A 79 -4.307 2.441 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.542 2.245 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.779 2.266 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.266 0.926 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.906 -0.481 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.389 0.860 -2.715 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.539 -0.097 -3.646 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.683 -1.315 -3.684 1.00 0.00 C ATOM 1237 C ALA A 80 -3.267 -2.367 -2.744 1.00 0.00 C ATOM 1238 O ALA A 80 -3.815 -2.050 -1.707 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.263 -0.958 -3.244 1.00 0.00 C ATOM 0 H ALA A 80 -3.898 0.149 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.652 -1.711 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.638 -1.851 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.852 -0.206 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.285 -0.563 -2.228 1.00 0.00 H new ATOM 1245 N THR A 81 -3.164 -3.622 -3.113 1.00 0.00 N ATOM 1246 CA THR A 81 -3.719 -4.720 -2.262 1.00 0.00 C ATOM 1247 C THR A 81 -2.614 -5.717 -1.914 1.00 0.00 C ATOM 1248 O THR A 81 -1.856 -6.141 -2.764 1.00 0.00 O ATOM 1249 CB THR A 81 -4.828 -5.437 -3.030 1.00 0.00 C ATOM 1250 OG1 THR A 81 -5.858 -4.507 -3.339 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.397 -6.564 -2.171 1.00 0.00 C ATOM 0 H THR A 81 -2.715 -3.934 -3.974 1.00 0.00 H new ATOM 0 HA THR A 81 -4.121 -4.297 -1.341 1.00 0.00 H new ATOM 0 HB THR A 81 -4.425 -5.856 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.572 -4.962 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.188 -7.075 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.605 -7.273 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.804 -6.149 -1.249 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.527 -6.097 -0.661 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.481 -7.072 -0.228 1.00 0.00 C ATOM 1261 C VAL A 82 -2.156 -8.387 0.168 1.00 0.00 C ATOM 1262 O VAL A 82 -3.110 -8.411 0.926 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.725 -6.496 0.971 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.172 -7.575 1.586 1.00 0.00 C ATOM 1265 CG2 VAL A 82 0.138 -5.324 0.497 1.00 0.00 C ATOM 0 H VAL A 82 -3.142 -5.770 0.084 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.781 -7.256 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.437 -6.154 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.708 -7.160 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.441 -8.413 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.888 -7.921 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.681 -4.906 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.848 -5.675 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.500 -4.556 0.060 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.665 -9.482 -0.354 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.262 -10.811 -0.037 1.00 0.00 C ATOM 1277 C ILE A 83 -1.438 -11.503 1.050 1.00 0.00 C ATOM 1278 O ILE A 83 -0.248 -11.708 0.914 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.264 -11.674 -1.302 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.956 -10.913 -2.444 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.004 -12.985 -1.032 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -4.352 -10.445 -2.008 1.00 0.00 C ATOM 0 H ILE A 83 -0.869 -9.511 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.283 -10.675 0.320 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.236 -11.896 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.352 -10.054 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.038 -11.556 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.003 -13.596 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.505 -13.525 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.032 -12.769 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.828 -9.908 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.959 -11.310 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.261 -9.784 -1.146 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.079 -11.869 2.130 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.365 -12.557 3.243 1.00 0.00 C ATOM 1296 C LEU A 84 -1.628 -14.060 3.150 1.00 0.00 C ATOM 1297 O LEU A 84 -2.498 -14.596 3.811 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.880 -12.020 4.580 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.708 -10.494 4.620 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.272 -9.956 5.937 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.216 -10.131 4.510 1.00 0.00 C ATOM 0 H LEU A 84 -3.075 -11.719 2.288 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.293 -12.372 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.930 -12.282 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.334 -12.480 5.403 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.244 -10.048 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.152 -8.873 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.331 -10.206 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.736 -10.405 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.102 -9.047 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.329 -10.576 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.183 -10.513 3.570 1.00 0.00 H new ATOM 1313 N ASN A 85 -0.879 -14.744 2.327 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.065 -16.214 2.175 1.00 0.00 C ATOM 1315 C ASN A 85 -0.143 -16.931 3.159 1.00 0.00 C ATOM 1316 O ASN A 85 -0.002 -18.140 3.128 1.00 0.00 O ATOM 1317 CB ASN A 85 -0.706 -16.623 0.744 1.00 0.00 C ATOM 1318 CG ASN A 85 -1.747 -16.063 -0.232 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -1.439 -15.801 -1.378 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -2.973 -15.868 0.173 1.00 0.00 N ATOM 0 H ASN A 85 -0.140 -14.343 1.749 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.102 -16.483 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.285 -16.249 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.667 -17.709 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.670 -15.496 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.233 -16.087 1.134 1.00 0.00 H new ATOM 1327 N SER A 86 0.489 -16.189 4.037 1.00 0.00 N ATOM 1328 CA SER A 86 1.409 -16.818 5.034 1.00 0.00 C ATOM 1329 C SER A 86 1.157 -16.198 6.414 1.00 0.00 C ATOM 1330 O SER A 86 0.907 -15.015 6.550 1.00 0.00 O ATOM 1331 CB SER A 86 2.868 -16.596 4.602 1.00 0.00 C ATOM 1332 OG SER A 86 3.641 -17.736 4.975 1.00 0.00 O ATOM 0 H SER A 86 0.407 -15.175 4.105 1.00 0.00 H new ATOM 0 HA SER A 86 1.222 -17.890 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.922 -16.440 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.268 -15.699 5.074 1.00 0.00 H new ATOM 0 HG SER A 86 4.573 -17.603 4.701 1.00 0.00 H new ATOM 1338 N GLN A 87 1.204 -17.010 7.433 1.00 0.00 N ATOM 1339 CA GLN A 87 0.951 -16.517 8.819 1.00 0.00 C ATOM 1340 C GLN A 87 2.053 -15.532 9.252 1.00 0.00 C ATOM 1341 O GLN A 87 1.776 -14.527 9.875 1.00 0.00 O ATOM 1342 CB GLN A 87 0.884 -17.723 9.790 1.00 0.00 C ATOM 1343 CG GLN A 87 0.535 -19.006 9.017 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.679 -18.755 8.115 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -0.716 -19.202 6.984 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.676 -18.045 8.569 1.00 0.00 N ATOM 0 H GLN A 87 1.409 -18.007 7.365 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.001 -15.987 8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.841 -17.844 10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.135 -17.538 10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.387 -19.322 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.320 -19.815 9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.645 -17.670 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.486 -17.865 7.976 1.00 0.00 H new ATOM 1355 N PRO A 88 3.290 -15.807 8.932 1.00 0.00 N ATOM 1356 CA PRO A 88 4.431 -14.916 9.307 1.00 0.00 C ATOM 1357 C PRO A 88 4.231 -13.491 8.777 1.00 0.00 C ATOM 1358 O PRO A 88 4.584 -12.518 9.412 1.00 0.00 O ATOM 1359 CB PRO A 88 5.650 -15.584 8.649 1.00 0.00 C ATOM 1360 CG PRO A 88 5.252 -17.012 8.473 1.00 0.00 C ATOM 1361 CD PRO A 88 3.756 -16.981 8.175 1.00 0.00 C ATOM 0 HA PRO A 88 4.537 -14.810 10.387 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.888 -15.119 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.537 -15.495 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.806 -17.477 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.462 -17.592 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.559 -16.877 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.260 -17.895 8.503 1.00 0.00 H new ATOM 1369 N GLU A 89 3.666 -13.377 7.605 1.00 0.00 N ATOM 1370 CA GLU A 89 3.431 -12.034 7.004 1.00 0.00 C ATOM 1371 C GLU A 89 2.338 -11.305 7.786 1.00 0.00 C ATOM 1372 O GLU A 89 2.339 -10.097 7.899 1.00 0.00 O ATOM 1373 CB GLU A 89 2.993 -12.202 5.548 1.00 0.00 C ATOM 1374 CG GLU A 89 4.157 -12.758 4.724 1.00 0.00 C ATOM 1375 CD GLU A 89 3.696 -13.009 3.286 1.00 0.00 C ATOM 1376 OE1 GLU A 89 2.532 -12.776 3.009 1.00 0.00 O ATOM 1377 OE2 GLU A 89 4.516 -13.433 2.489 1.00 0.00 O ATOM 0 H GLU A 89 3.355 -14.163 7.035 1.00 0.00 H new ATOM 0 HA GLU A 89 4.351 -11.451 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.138 -12.876 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.671 -11.243 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.990 -12.055 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.519 -13.686 5.167 1.00 0.00 H new ATOM 1384 N TRP A 90 1.395 -12.032 8.314 1.00 0.00 N ATOM 1385 CA TRP A 90 0.291 -11.387 9.079 1.00 0.00 C ATOM 1386 C TRP A 90 0.875 -10.626 10.279 1.00 0.00 C ATOM 1387 O TRP A 90 0.527 -9.490 10.541 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.680 -12.489 9.572 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.995 -12.380 8.872 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.487 -13.282 7.996 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.981 -11.318 8.973 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.719 -12.840 7.551 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.067 -11.633 8.127 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.037 -10.125 9.715 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.170 -10.788 8.013 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.147 -9.273 9.603 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.212 -9.606 8.755 1.00 0.00 C ATOM 0 H TRP A 90 1.340 -13.048 8.249 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.246 -10.683 8.443 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.246 -13.472 9.391 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.826 -12.398 10.648 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.999 -14.197 7.693 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.300 -13.343 6.880 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.222 -9.863 10.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.987 -11.046 7.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.180 -8.356 10.173 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.065 -8.948 8.675 1.00 0.00 H new ATOM 1408 N ASP A 91 1.745 -11.253 11.008 1.00 0.00 N ATOM 1409 CA ASP A 91 2.346 -10.582 12.194 1.00 0.00 C ATOM 1410 C ASP A 91 3.181 -9.382 11.739 1.00 0.00 C ATOM 1411 O ASP A 91 3.120 -8.310 12.309 1.00 0.00 O ATOM 1412 CB ASP A 91 3.244 -11.579 12.926 1.00 0.00 C ATOM 1413 CG ASP A 91 2.382 -12.629 13.631 1.00 0.00 C ATOM 1414 OD1 ASP A 91 1.188 -12.412 13.744 1.00 0.00 O ATOM 1415 OD2 ASP A 91 2.934 -13.639 14.041 1.00 0.00 O ATOM 0 H ASP A 91 2.070 -12.205 10.837 1.00 0.00 H new ATOM 0 HA ASP A 91 1.556 -10.236 12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.918 -12.063 12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.866 -11.057 13.653 1.00 0.00 H new ATOM 1420 N ARG A 92 3.965 -9.564 10.713 1.00 0.00 N ATOM 1421 CA ARG A 92 4.816 -8.450 10.203 1.00 0.00 C ATOM 1422 C ARG A 92 3.922 -7.350 9.623 1.00 0.00 C ATOM 1423 O ARG A 92 4.164 -6.173 9.800 1.00 0.00 O ATOM 1424 CB ARG A 92 5.745 -8.982 9.110 1.00 0.00 C ATOM 1425 CG ARG A 92 6.698 -7.873 8.650 1.00 0.00 C ATOM 1426 CD ARG A 92 7.563 -8.383 7.495 1.00 0.00 C ATOM 1427 NE ARG A 92 8.404 -9.526 7.959 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.554 -9.314 8.541 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.980 -8.095 8.733 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.280 -10.325 8.931 1.00 0.00 N ATOM 0 H ARG A 92 4.054 -10.442 10.202 1.00 0.00 H new ATOM 0 HA ARG A 92 5.411 -8.041 11.020 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.316 -9.831 9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.158 -9.343 8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.129 -6.999 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.331 -7.557 9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.929 -8.699 6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.199 -7.580 7.122 1.00 0.00 H new ATOM 0 HE ARG A 92 8.077 -10.482 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.414 -7.303 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.879 -7.935 9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.949 -11.278 8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.178 -10.162 9.386 1.00 0.00 H new ATOM 1444 N PHE A 93 2.899 -7.735 8.916 1.00 0.00 N ATOM 1445 CA PHE A 93 1.982 -6.732 8.301 1.00 0.00 C ATOM 1446 C PHE A 93 1.348 -5.866 9.392 1.00 0.00 C ATOM 1447 O PHE A 93 1.255 -4.660 9.271 1.00 0.00 O ATOM 1448 CB PHE A 93 0.878 -7.465 7.538 1.00 0.00 C ATOM 1449 CG PHE A 93 0.018 -6.460 6.810 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.398 -6.006 5.544 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.157 -5.984 7.402 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.394 -5.074 4.868 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.952 -5.049 6.727 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.570 -4.595 5.460 1.00 0.00 C ATOM 0 H PHE A 93 2.655 -8.709 8.735 1.00 0.00 H new ATOM 0 HA PHE A 93 2.548 -6.096 7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.316 -8.167 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.269 -8.048 8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.304 -6.376 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.451 -6.337 8.379 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.100 -4.723 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.858 -4.679 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.182 -3.875 4.938 1.00 0.00 H new ATOM 1464 N MET A 94 0.898 -6.477 10.449 1.00 0.00 N ATOM 1465 CA MET A 94 0.255 -5.705 11.552 1.00 0.00 C ATOM 1466 C MET A 94 1.275 -4.752 12.189 1.00 0.00 C ATOM 1467 O MET A 94 0.971 -3.618 12.505 1.00 0.00 O ATOM 1468 CB MET A 94 -0.244 -6.691 12.610 1.00 0.00 C ATOM 1469 CG MET A 94 -1.521 -7.387 12.124 1.00 0.00 C ATOM 1470 SD MET A 94 -2.875 -6.187 12.019 1.00 0.00 S ATOM 1471 CE MET A 94 -3.024 -5.834 13.790 1.00 0.00 C ATOM 0 H MET A 94 0.947 -7.485 10.600 1.00 0.00 H new ATOM 0 HA MET A 94 -0.576 -5.121 11.155 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.527 -7.433 12.818 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.441 -6.165 13.544 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.349 -7.841 11.148 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.789 -8.192 12.808 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.060 -5.590 14.027 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.717 -6.709 14.363 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.385 -4.990 14.048 1.00 0.00 H new ATOM 1481 N ARG A 95 2.477 -5.210 12.389 1.00 0.00 N ATOM 1482 CA ARG A 95 3.518 -4.340 13.012 1.00 0.00 C ATOM 1483 C ARG A 95 3.855 -3.171 12.078 1.00 0.00 C ATOM 1484 O ARG A 95 3.983 -2.038 12.501 1.00 0.00 O ATOM 1485 CB ARG A 95 4.777 -5.175 13.258 1.00 0.00 C ATOM 1486 CG ARG A 95 5.840 -4.323 13.962 1.00 0.00 C ATOM 1487 CD ARG A 95 7.091 -5.170 14.229 1.00 0.00 C ATOM 1488 NE ARG A 95 6.772 -6.219 15.240 1.00 0.00 N ATOM 1489 CZ ARG A 95 7.685 -7.075 15.616 1.00 0.00 C ATOM 1490 NH1 ARG A 95 8.890 -7.015 15.120 1.00 0.00 N ATOM 1491 NH2 ARG A 95 7.389 -7.992 16.496 1.00 0.00 N ATOM 0 H ARG A 95 2.787 -6.151 12.148 1.00 0.00 H new ATOM 0 HA ARG A 95 3.142 -3.941 13.954 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.533 -6.045 13.868 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.167 -5.549 12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.097 -3.462 13.344 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.445 -3.935 14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.434 -5.633 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.902 -4.537 14.589 1.00 0.00 H new ATOM 0 HE ARG A 95 5.835 -6.269 15.641 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.124 -6.297 14.434 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.598 -7.686 15.418 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.448 -8.039 16.887 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.098 -8.662 16.792 1.00 0.00 H new ATOM 1505 N PHE A 96 4.014 -3.443 10.813 1.00 0.00 N ATOM 1506 CA PHE A 96 4.355 -2.357 9.848 1.00 0.00 C ATOM 1507 C PHE A 96 3.226 -1.324 9.788 1.00 0.00 C ATOM 1508 O PHE A 96 3.449 -0.132 9.881 1.00 0.00 O ATOM 1509 CB PHE A 96 4.550 -2.976 8.459 1.00 0.00 C ATOM 1510 CG PHE A 96 4.686 -1.882 7.421 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.843 -1.101 7.377 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.649 -1.651 6.505 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.967 -0.087 6.420 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.775 -0.638 5.548 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.933 0.144 5.506 1.00 0.00 C ATOM 0 H PHE A 96 3.923 -4.373 10.403 1.00 0.00 H new ATOM 0 HA PHE A 96 5.269 -1.859 10.173 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.439 -3.606 8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.703 -3.617 8.215 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.642 -1.279 8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.754 -2.255 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.861 0.517 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.978 -0.460 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.030 0.927 4.768 1.00 0.00 H new ATOM 1525 N MET A 97 2.019 -1.777 9.619 1.00 0.00 N ATOM 1526 CA MET A 97 0.871 -0.831 9.539 1.00 0.00 C ATOM 1527 C MET A 97 0.640 -0.169 10.895 1.00 0.00 C ATOM 1528 O MET A 97 0.364 1.012 10.989 1.00 0.00 O ATOM 1529 CB MET A 97 -0.388 -1.599 9.135 1.00 0.00 C ATOM 1530 CG MET A 97 -1.588 -0.646 9.078 1.00 0.00 C ATOM 1531 SD MET A 97 -2.302 -0.475 10.732 1.00 0.00 S ATOM 1532 CE MET A 97 -3.369 -1.936 10.672 1.00 0.00 C ATOM 0 H MET A 97 1.775 -2.764 9.532 1.00 0.00 H new ATOM 0 HA MET A 97 1.094 -0.063 8.799 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.241 -2.070 8.163 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.582 -2.398 9.850 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.275 0.328 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.337 -1.028 8.385 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.592 -2.266 11.687 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.298 -1.687 10.159 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.861 -2.736 10.134 1.00 0.00 H new ATOM 1542 N GLU A 98 0.733 -0.930 11.948 1.00 0.00 N ATOM 1543 CA GLU A 98 0.505 -0.363 13.306 1.00 0.00 C ATOM 1544 C GLU A 98 1.607 0.639 13.651 1.00 0.00 C ATOM 1545 O GLU A 98 1.343 1.736 14.094 1.00 0.00 O ATOM 1546 CB GLU A 98 0.518 -1.501 14.331 1.00 0.00 C ATOM 1547 CG GLU A 98 0.227 -0.942 15.727 1.00 0.00 C ATOM 1548 CD GLU A 98 0.171 -2.084 16.744 1.00 0.00 C ATOM 1549 OE1 GLU A 98 0.083 -3.226 16.322 1.00 0.00 O ATOM 1550 OE2 GLU A 98 0.216 -1.797 17.929 1.00 0.00 O ATOM 0 H GLU A 98 0.958 -1.925 11.927 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.458 0.148 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.228 -2.250 14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.487 -1.999 14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.000 -0.228 16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.719 -0.401 15.722 1.00 0.00 H new ATOM 1557 N ARG A 99 2.841 0.266 13.466 1.00 0.00 N ATOM 1558 CA ARG A 99 3.962 1.192 13.800 1.00 0.00 C ATOM 1559 C ARG A 99 3.960 2.393 12.848 1.00 0.00 C ATOM 1560 O ARG A 99 4.157 3.528 13.250 1.00 0.00 O ATOM 1561 CB ARG A 99 5.282 0.433 13.645 1.00 0.00 C ATOM 1562 CG ARG A 99 5.442 -0.604 14.775 1.00 0.00 C ATOM 1563 CD ARG A 99 6.082 0.048 16.009 1.00 0.00 C ATOM 1564 NE ARG A 99 7.454 0.518 15.657 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.209 1.091 16.555 1.00 0.00 C ATOM 1566 NH1 ARG A 99 7.765 1.277 17.767 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.412 1.487 16.237 1.00 0.00 N ATOM 0 H ARG A 99 3.124 -0.642 13.097 1.00 0.00 H new ATOM 0 HA ARG A 99 3.843 1.552 14.822 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.310 -0.067 12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.116 1.134 13.665 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.469 -1.019 15.038 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.060 -1.434 14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.474 0.886 16.350 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.129 -0.667 16.830 1.00 0.00 H new ATOM 0 HE ARG A 99 7.805 0.391 14.708 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.824 0.974 18.017 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.359 1.725 18.465 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.760 1.349 15.288 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.003 1.935 16.937 1.00 0.00 H new ATOM 1581 N TYR A 100 3.758 2.145 11.587 1.00 0.00 N ATOM 1582 CA TYR A 100 3.763 3.254 10.594 1.00 0.00 C ATOM 1583 C TYR A 100 2.650 4.257 10.911 1.00 0.00 C ATOM 1584 O TYR A 100 2.875 5.448 11.006 1.00 0.00 O ATOM 1585 CB TYR A 100 3.520 2.664 9.206 1.00 0.00 C ATOM 1586 CG TYR A 100 3.451 3.774 8.187 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.617 4.204 7.546 1.00 0.00 C ATOM 1588 CD2 TYR A 100 2.221 4.375 7.886 1.00 0.00 C ATOM 1589 CE1 TYR A 100 4.557 5.235 6.602 1.00 0.00 C ATOM 1590 CE2 TYR A 100 2.161 5.407 6.941 1.00 0.00 C ATOM 1591 CZ TYR A 100 3.330 5.838 6.301 1.00 0.00 C ATOM 1592 OH TYR A 100 3.272 6.857 5.373 1.00 0.00 O ATOM 0 H TYR A 100 3.589 1.217 11.198 1.00 0.00 H new ATOM 0 HA TYR A 100 4.723 3.768 10.631 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.321 1.971 8.949 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.591 2.094 9.200 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.564 3.740 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.321 4.043 8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.457 5.566 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.214 5.870 6.706 1.00 0.00 H new ATOM 0 HH TYR A 100 3.470 7.711 5.812 1.00 0.00 H new ATOM 1602 N GLY A 101 1.447 3.782 11.060 1.00 0.00 N ATOM 1603 CA GLY A 101 0.312 4.702 11.353 1.00 0.00 C ATOM 1604 C GLY A 101 0.343 5.138 12.822 1.00 0.00 C ATOM 1605 O GLY A 101 -0.035 6.245 13.154 1.00 0.00 O ATOM 0 H GLY A 101 1.199 2.795 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.369 5.577 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.633 4.205 11.134 1.00 0.00 H new ATOM 1609 N ALA A 102 0.784 4.284 13.710 1.00 0.00 N ATOM 1610 CA ALA A 102 0.826 4.679 15.153 1.00 0.00 C ATOM 1611 C ALA A 102 1.501 6.047 15.262 1.00 0.00 C ATOM 1612 O ALA A 102 0.988 6.963 15.872 1.00 0.00 O ATOM 1613 CB ALA A 102 1.635 3.646 15.947 1.00 0.00 C ATOM 0 H ALA A 102 1.113 3.341 13.504 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.186 4.725 15.556 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.664 3.936 16.997 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.166 2.667 15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.651 3.600 15.555 1.00 0.00 H new ATOM 1619 N GLU A 103 2.644 6.189 14.654 1.00 0.00 N ATOM 1620 CA GLU A 103 3.348 7.500 14.694 1.00 0.00 C ATOM 1621 C GLU A 103 2.586 8.508 13.816 1.00 0.00 C ATOM 1622 O GLU A 103 2.479 9.676 14.133 1.00 0.00 O ATOM 1623 CB GLU A 103 4.772 7.310 14.174 1.00 0.00 C ATOM 1624 CG GLU A 103 5.580 6.497 15.189 1.00 0.00 C ATOM 1625 CD GLU A 103 6.981 6.226 14.635 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.260 6.667 13.532 1.00 0.00 O ATOM 1627 OE2 GLU A 103 7.753 5.580 15.325 1.00 0.00 O ATOM 0 H GLU A 103 3.121 5.455 14.131 1.00 0.00 H new ATOM 0 HA GLU A 103 3.387 7.881 15.715 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.754 6.797 13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.243 8.279 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.650 7.040 16.131 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.074 5.555 15.401 1.00 0.00 H new ATOM 1634 N ASN A 104 2.048 8.048 12.717 1.00 0.00 N ATOM 1635 CA ASN A 104 1.274 8.944 11.802 1.00 0.00 C ATOM 1636 C ASN A 104 2.122 10.143 11.359 1.00 0.00 C ATOM 1637 O ASN A 104 3.071 10.542 12.008 1.00 0.00 O ATOM 1638 CB ASN A 104 -0.012 9.446 12.512 1.00 0.00 C ATOM 1639 CG ASN A 104 -1.260 8.791 11.897 1.00 0.00 C ATOM 1640 OD1 ASN A 104 -2.308 9.405 11.824 1.00 0.00 O ATOM 1641 ND2 ASN A 104 -1.188 7.570 11.450 1.00 0.00 N ATOM 0 H ASN A 104 2.112 7.078 12.409 1.00 0.00 H new ATOM 0 HA ASN A 104 1.000 8.370 10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.040 9.215 13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -0.083 10.530 12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.010 7.128 11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.309 7.055 11.511 1.00 0.00 H new ATOM 1648 N GLY A 105 1.752 10.717 10.247 1.00 0.00 N ATOM 1649 CA GLY A 105 2.490 11.895 9.718 1.00 0.00 C ATOM 1650 C GLY A 105 3.706 11.411 8.929 1.00 0.00 C ATOM 1651 O GLY A 105 4.591 12.175 8.601 1.00 0.00 O ATOM 0 H GLY A 105 0.961 10.415 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.839 12.490 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.806 12.540 10.538 1.00 0.00 H new ATOM 1655 N LEU A 106 3.765 10.138 8.642 1.00 0.00 N ATOM 1656 CA LEU A 106 4.936 9.600 7.897 1.00 0.00 C ATOM 1657 C LEU A 106 4.834 9.925 6.405 1.00 0.00 C ATOM 1658 O LEU A 106 3.784 9.837 5.797 1.00 0.00 O ATOM 1659 CB LEU A 106 4.989 8.084 8.106 1.00 0.00 C ATOM 1660 CG LEU A 106 5.704 7.778 9.424 1.00 0.00 C ATOM 1661 CD1 LEU A 106 5.006 8.507 10.573 1.00 0.00 C ATOM 1662 CD2 LEU A 106 5.675 6.271 9.684 1.00 0.00 C ATOM 0 H LEU A 106 3.054 9.450 8.891 1.00 0.00 H new ATOM 0 HA LEU A 106 5.848 10.064 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.980 7.673 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.513 7.609 7.276 1.00 0.00 H new ATOM 0 HG LEU A 106 6.738 8.117 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.519 8.286 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.031 9.581 10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.970 8.174 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.184 6.054 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.641 5.932 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.179 5.751 8.869 1.00 0.00 H new ATOM 1674 N GLY A 107 5.943 10.293 5.816 1.00 0.00 N ATOM 1675 CA GLY A 107 5.964 10.625 4.367 1.00 0.00 C ATOM 1676 C GLY A 107 7.381 10.416 3.822 1.00 0.00 C ATOM 1677 O GLY A 107 7.588 9.681 2.874 1.00 0.00 O ATOM 0 H GLY A 107 6.844 10.377 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.257 9.995 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.651 11.658 4.214 1.00 0.00 H new ATOM 1681 N PHE A 108 8.363 11.055 4.414 1.00 0.00 N ATOM 1682 CA PHE A 108 9.772 10.895 3.929 1.00 0.00 C ATOM 1683 C PHE A 108 10.524 9.886 4.798 1.00 0.00 C ATOM 1684 O PHE A 108 10.694 10.064 5.991 1.00 0.00 O ATOM 1685 CB PHE A 108 10.488 12.249 3.978 1.00 0.00 C ATOM 1686 CG PHE A 108 10.012 13.107 2.826 1.00 0.00 C ATOM 1687 CD1 PHE A 108 10.413 12.801 1.519 1.00 0.00 C ATOM 1688 CD2 PHE A 108 9.169 14.200 3.061 1.00 0.00 C ATOM 1689 CE1 PHE A 108 9.973 13.590 0.450 1.00 0.00 C ATOM 1690 CE2 PHE A 108 8.730 14.989 1.991 1.00 0.00 C ATOM 1691 CZ PHE A 108 9.131 14.683 0.684 1.00 0.00 C ATOM 0 H PHE A 108 8.250 11.680 5.212 1.00 0.00 H new ATOM 0 HA PHE A 108 9.751 10.528 2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 108 10.285 12.747 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.567 12.105 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 108 11.061 11.957 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.857 14.435 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.284 13.355 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.082 15.834 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.791 15.290 -0.142 1.00 0.00 H new ATOM 1701 N SER A 109 10.983 8.821 4.191 1.00 0.00 N ATOM 1702 CA SER A 109 11.736 7.771 4.940 1.00 0.00 C ATOM 1703 C SER A 109 13.240 7.948 4.694 1.00 0.00 C ATOM 1704 O SER A 109 13.827 8.943 5.074 1.00 0.00 O ATOM 1705 CB SER A 109 11.301 6.395 4.437 1.00 0.00 C ATOM 1706 OG SER A 109 11.298 6.396 3.016 1.00 0.00 O ATOM 0 H SER A 109 10.866 8.633 3.195 1.00 0.00 H new ATOM 0 HA SER A 109 11.530 7.859 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.979 5.627 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.307 6.154 4.814 1.00 0.00 H new ATOM 0 HG SER A 109 11.652 5.543 2.688 1.00 0.00 H new ATOM 1712 N LYS A 110 13.866 6.980 4.064 1.00 0.00 N ATOM 1713 CA LYS A 110 15.335 7.061 3.788 1.00 0.00 C ATOM 1714 C LYS A 110 15.601 6.774 2.302 1.00 0.00 C ATOM 1715 O LYS A 110 16.646 7.108 1.772 1.00 0.00 O ATOM 1716 CB LYS A 110 16.053 6.015 4.644 1.00 0.00 C ATOM 1717 CG LYS A 110 17.565 6.195 4.512 1.00 0.00 C ATOM 1718 CD LYS A 110 18.284 5.228 5.454 1.00 0.00 C ATOM 1719 CE LYS A 110 19.797 5.440 5.350 1.00 0.00 C ATOM 1720 NZ LYS A 110 20.266 5.044 3.991 1.00 0.00 N ATOM 0 H LYS A 110 13.415 6.129 3.727 1.00 0.00 H new ATOM 0 HA LYS A 110 15.701 8.059 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 110 15.754 6.117 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 110 15.767 5.012 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 110 17.874 6.012 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.841 7.222 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.953 5.390 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 110 18.032 4.199 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 110 20.042 6.485 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 110 20.310 4.849 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 20.952 4.266 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 19.454 4.731 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 20.720 5.858 3.529 1.00 0.00 H new ATOM 1734 N SER A 111 14.672 6.150 1.627 1.00 0.00 N ATOM 1735 CA SER A 111 14.882 5.829 0.182 1.00 0.00 C ATOM 1736 C SER A 111 14.962 7.116 -0.643 1.00 0.00 C ATOM 1737 O SER A 111 14.469 8.147 -0.238 1.00 0.00 O ATOM 1738 CB SER A 111 13.720 4.983 -0.330 1.00 0.00 C ATOM 1739 OG SER A 111 12.496 5.616 0.012 1.00 0.00 O ATOM 0 H SER A 111 13.777 5.848 2.012 1.00 0.00 H new ATOM 0 HA SER A 111 15.817 5.278 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.791 4.862 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.761 3.985 0.106 1.00 0.00 H new ATOM 0 HG SER A 111 11.926 5.677 -0.783 1.00 0.00 H new ATOM 1745 N GLU A 112 15.584 7.037 -1.798 1.00 0.00 N ATOM 1746 CA GLU A 112 15.727 8.230 -2.694 1.00 0.00 C ATOM 1747 C GLU A 112 16.631 9.267 -2.021 1.00 0.00 C ATOM 1748 O GLU A 112 17.491 9.858 -2.645 1.00 0.00 O ATOM 1749 CB GLU A 112 14.353 8.850 -2.981 1.00 0.00 C ATOM 1750 CG GLU A 112 14.487 9.886 -4.097 1.00 0.00 C ATOM 1751 CD GLU A 112 13.107 10.460 -4.419 1.00 0.00 C ATOM 1752 OE1 GLU A 112 12.128 9.874 -3.986 1.00 0.00 O ATOM 1753 OE2 GLU A 112 13.052 11.474 -5.095 1.00 0.00 O ATOM 0 H GLU A 112 16.005 6.182 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 112 16.172 7.913 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.645 8.074 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.958 9.319 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.163 10.684 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.919 9.427 -4.986 1.00 0.00 H new ATOM 1760 N LEU A 113 16.441 9.488 -0.753 1.00 0.00 N ATOM 1761 CA LEU A 113 17.280 10.473 -0.020 1.00 0.00 C ATOM 1762 C LEU A 113 18.733 9.985 -0.001 1.00 0.00 C ATOM 1763 O LEU A 113 19.664 10.750 -0.177 1.00 0.00 O ATOM 1764 CB LEU A 113 16.755 10.585 1.412 1.00 0.00 C ATOM 1765 CG LEU A 113 15.371 11.254 1.413 1.00 0.00 C ATOM 1766 CD1 LEU A 113 14.698 11.027 2.771 1.00 0.00 C ATOM 1767 CD2 LEU A 113 15.499 12.768 1.157 1.00 0.00 C ATOM 0 H LEU A 113 15.732 9.023 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 113 17.237 11.446 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 113 16.690 9.595 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 113 17.450 11.166 2.018 1.00 0.00 H new ATOM 0 HG LEU A 113 14.770 10.813 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.716 11.501 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.585 9.957 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.313 11.462 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.508 13.223 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.109 13.219 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 113 15.970 12.935 0.188 1.00 0.00 H new ATOM 1779 N GLU A 114 18.928 8.716 0.217 1.00 0.00 N ATOM 1780 CA GLU A 114 20.311 8.167 0.258 1.00 0.00 C ATOM 1781 C GLU A 114 20.973 8.310 -1.118 1.00 0.00 C ATOM 1782 O GLU A 114 20.408 7.957 -2.135 1.00 0.00 O ATOM 1783 CB GLU A 114 20.268 6.687 0.658 1.00 0.00 C ATOM 1784 CG GLU A 114 19.166 5.965 -0.122 1.00 0.00 C ATOM 1785 CD GLU A 114 19.173 4.478 0.239 1.00 0.00 C ATOM 1786 OE1 GLU A 114 19.403 4.171 1.398 1.00 0.00 O ATOM 1787 OE2 GLU A 114 18.947 3.671 -0.649 1.00 0.00 O ATOM 0 H GLU A 114 18.186 8.032 0.369 1.00 0.00 H new ATOM 0 HA GLU A 114 20.893 8.724 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 114 21.232 6.220 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 114 20.086 6.596 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.195 6.402 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.323 6.090 -1.193 1.00 0.00 H new ATOM 1794 N HIS A 115 22.176 8.829 -1.144 1.00 0.00 N ATOM 1795 CA HIS A 115 22.911 9.007 -2.433 1.00 0.00 C ATOM 1796 C HIS A 115 23.963 7.900 -2.566 1.00 0.00 C ATOM 1797 O HIS A 115 24.547 7.696 -3.612 1.00 0.00 O ATOM 1798 CB HIS A 115 23.590 10.380 -2.428 1.00 0.00 C ATOM 1799 CG HIS A 115 24.679 10.408 -1.387 1.00 0.00 C ATOM 1800 ND1 HIS A 115 24.407 10.490 -0.028 1.00 0.00 N ATOM 1801 CD2 HIS A 115 26.047 10.377 -1.492 1.00 0.00 C ATOM 1802 CE1 HIS A 115 25.587 10.506 0.622 1.00 0.00 C ATOM 1803 NE2 HIS A 115 26.618 10.440 -0.224 1.00 0.00 N ATOM 0 H HIS A 115 22.685 9.140 -0.317 1.00 0.00 H new ATOM 0 HA HIS A 115 22.222 8.947 -3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 115 24.009 10.592 -3.412 1.00 0.00 H new ATOM 0 HB3 HIS A 115 22.856 11.158 -2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 115 26.598 10.313 -2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 115 25.687 10.565 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 115 27.611 10.436 0.009 1.00 0.00 H new ATOM 1811 N HIS A 116 24.197 7.182 -1.503 1.00 0.00 N ATOM 1812 CA HIS A 116 25.199 6.077 -1.538 1.00 0.00 C ATOM 1813 C HIS A 116 26.478 6.503 -2.274 1.00 0.00 C ATOM 1814 O HIS A 116 26.691 7.661 -2.574 1.00 0.00 O ATOM 1815 CB HIS A 116 24.598 4.858 -2.243 1.00 0.00 C ATOM 1816 CG HIS A 116 23.510 4.268 -1.390 1.00 0.00 C ATOM 1817 ND1 HIS A 116 23.776 3.629 -0.189 1.00 0.00 N ATOM 1818 CD2 HIS A 116 22.148 4.212 -1.549 1.00 0.00 C ATOM 1819 CE1 HIS A 116 22.602 3.218 0.322 1.00 0.00 C ATOM 1820 NE2 HIS A 116 21.575 3.549 -0.467 1.00 0.00 N ATOM 0 H HIS A 116 23.734 7.314 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 116 25.459 5.828 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 116 24.196 5.148 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 116 25.373 4.114 -2.428 1.00 0.00 H new ATOM 0 HD1 HIS A 116 24.696 3.495 0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 116 21.603 4.621 -2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 116 22.501 2.685 1.256 1.00 0.00 H new ATOM 1828 N HIS A 117 27.328 5.547 -2.556 1.00 0.00 N ATOM 1829 CA HIS A 117 28.613 5.835 -3.260 1.00 0.00 C ATOM 1830 C HIS A 117 29.361 6.975 -2.559 1.00 0.00 C ATOM 1831 O HIS A 117 29.855 7.894 -3.184 1.00 0.00 O ATOM 1832 CB HIS A 117 28.341 6.199 -4.724 1.00 0.00 C ATOM 1833 CG HIS A 117 29.648 6.265 -5.469 1.00 0.00 C ATOM 1834 ND1 HIS A 117 30.272 7.467 -5.759 1.00 0.00 N ATOM 1835 CD2 HIS A 117 30.459 5.284 -5.985 1.00 0.00 C ATOM 1836 CE1 HIS A 117 31.408 7.183 -6.424 1.00 0.00 C ATOM 1837 NE2 HIS A 117 31.570 5.867 -6.588 1.00 0.00 N ATOM 0 H HIS A 117 27.182 4.565 -2.324 1.00 0.00 H new ATOM 0 HA HIS A 117 29.237 4.942 -3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 117 27.686 5.457 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 117 27.826 7.158 -4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 117 30.265 4.223 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 117 32.103 7.928 -6.781 1.00 0.00 H new ATOM 0 HE2 HIS A 117 32.342 5.391 -7.055 1.00 0.00 H new ATOM 1845 N HIS A 118 29.461 6.908 -1.260 1.00 0.00 N ATOM 1846 CA HIS A 118 30.192 7.963 -0.501 1.00 0.00 C ATOM 1847 C HIS A 118 31.690 7.892 -0.832 1.00 0.00 C ATOM 1848 O HIS A 118 32.355 8.898 -0.989 1.00 0.00 O ATOM 1849 CB HIS A 118 29.980 7.740 1.004 1.00 0.00 C ATOM 1850 CG HIS A 118 30.716 6.503 1.460 1.00 0.00 C ATOM 1851 ND1 HIS A 118 31.906 6.568 2.170 1.00 0.00 N ATOM 1852 CD2 HIS A 118 30.438 5.164 1.320 1.00 0.00 C ATOM 1853 CE1 HIS A 118 32.296 5.306 2.428 1.00 0.00 C ATOM 1854 NE2 HIS A 118 31.437 4.411 1.933 1.00 0.00 N ATOM 0 H HIS A 118 29.065 6.163 -0.687 1.00 0.00 H new ATOM 0 HA HIS A 118 29.812 8.946 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 118 30.334 8.608 1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 118 28.916 7.637 1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 118 29.576 4.758 0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 118 33.194 5.048 2.969 1.00 0.00 H new ATOM 0 HE2 HIS A 118 31.499 3.395 1.991 1.00 0.00 H new ATOM 1862 N HIS A 119 32.224 6.704 -0.921 1.00 0.00 N ATOM 1863 CA HIS A 119 33.679 6.554 -1.220 1.00 0.00 C ATOM 1864 C HIS A 119 33.963 6.849 -2.696 1.00 0.00 C ATOM 1865 O HIS A 119 33.067 7.076 -3.484 1.00 0.00 O ATOM 1866 CB HIS A 119 34.115 5.122 -0.903 1.00 0.00 C ATOM 1867 CG HIS A 119 35.620 5.050 -0.849 1.00 0.00 C ATOM 1868 ND1 HIS A 119 36.385 4.683 -1.947 1.00 0.00 N ATOM 1869 CD2 HIS A 119 36.513 5.291 0.165 1.00 0.00 C ATOM 1870 CE1 HIS A 119 37.677 4.715 -1.569 1.00 0.00 C ATOM 1871 NE2 HIS A 119 37.810 5.079 -0.291 1.00 0.00 N ATOM 0 H HIS A 119 31.715 5.828 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 119 34.235 7.263 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 119 33.692 4.805 0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 119 33.736 4.439 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 119 36.249 5.599 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 119 38.505 4.475 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 119 38.677 5.180 0.237 1.00 0.00 H new ATOM 1879 N HIS A 120 35.222 6.844 -3.059 1.00 0.00 N ATOM 1880 CA HIS A 120 35.618 7.119 -4.473 1.00 0.00 C ATOM 1881 C HIS A 120 35.101 8.493 -4.899 1.00 0.00 C ATOM 1882 O HIS A 120 35.802 9.465 -4.666 1.00 0.00 O ATOM 1883 CB HIS A 120 35.047 6.041 -5.403 1.00 0.00 C ATOM 1884 CG HIS A 120 35.539 4.687 -4.968 1.00 0.00 C ATOM 1885 ND1 HIS A 120 36.853 4.282 -5.149 1.00 0.00 N ATOM 1886 CD2 HIS A 120 34.901 3.633 -4.359 1.00 0.00 C ATOM 1887 CE1 HIS A 120 36.964 3.033 -4.659 1.00 0.00 C ATOM 1888 NE2 HIS A 120 35.803 2.590 -4.166 1.00 0.00 N ATOM 1889 OXT HIS A 120 34.017 8.555 -5.454 1.00 0.00 O ATOM 0 H HIS A 120 36.001 6.659 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 120 36.706 7.106 -4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 120 33.958 6.067 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 120 35.350 6.236 -6.432 1.00 0.00 H new ATOM 0 HD2 HIS A 120 33.859 3.616 -4.074 1.00 0.00 H new ATOM 0 HE1 HIS A 120 37.879 2.459 -4.664 1.00 0.00 H new ATOM 0 HE2 HIS A 120 35.618 1.682 -3.740 1.00 0.00 H new TER 1897 HIS A 120