USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 938 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 36 SER OG : rot 50:sc= 1.38 USER MOD Set 1.2: A 44 THR OG1 : rot -123:sc= 0.238 USER MOD Set 2.1: A 30 GLN : amide:sc= 0.928 K(o=0.35,f=-0.68) USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.579 K(o=0.35,f=0.88) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.142 (180deg=-0.659) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0156 (180deg=-0.0804) USER MOD Single : A 2 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 3 THR OG1 : rot 122:sc= 0.878 USER MOD Single : A 4 HIS : no HD1:sc= 0.649 K(o=0.65,f=-2.6!) USER MOD Single : A 10 GLN : amide:sc= -3.58! C(o=-3.6!,f=-8.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 21 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-0.0096) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 23 HIS : no HE2:sc= 1.02 K(o=1,f=-6.7!) USER MOD Single : A 26 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.746 K(o=-0.75,f=-0.17) USER MOD Single : A 35 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.00401 USER MOD Single : A 38 GLN : amide:sc= 0.91 K(o=0.91,f=-8.3!) USER MOD Single : A 42 MET CE :methyl -119:sc= -0.317 (180deg=-0.896) USER MOD Single : A 45 MET CE :methyl -165:sc= -0.257 (180deg=-0.851) USER MOD Single : A 52 GLN : amide:sc= 1.77 K(o=1.8,f=-4.4!) USER MOD Single : A 59 MET CE :methyl -153:sc= -0.185 (180deg=-1.05) USER MOD Single : A 60 HIS : no HD1:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.121 K(o=0.12,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.896 (180deg=0.804) USER MOD Single : A 67 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.011) USER MOD Single : A 78 TYR OH : rot 45:sc= 1.27 USER MOD Single : A 79 TYR OH : rot -154:sc= 0.836 USER MOD Single : A 81 MET CE :methyl 164:sc= -0.158 (180deg=-0.706) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 87 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 89 GLN : amide:sc=-0.000606 K(o=-0.00061,f=-0.95) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.0612 (180deg=-0.382) USER MOD Single : A 109 SER OG : rot 75:sc= 0.162 USER MOD Single : A 112 HIS : no HE2:sc= 0.264 K(o=0.26,f=-5.3!) USER MOD Single : A 113 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=0.012) USER MOD Single : A 114 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0.115 K(o=0.12,f=-2.4!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.413 3.347 6.995 1.00 0.00 N ATOM 2 CA MET A 1 -18.067 3.214 6.400 1.00 0.00 C ATOM 3 C MET A 1 -17.687 1.748 6.321 1.00 0.00 C ATOM 4 O MET A 1 -18.090 0.947 7.166 1.00 0.00 O ATOM 5 CB MET A 1 -17.024 3.968 7.232 1.00 0.00 C ATOM 6 CG MET A 1 -17.255 5.467 7.302 1.00 0.00 C ATOM 7 SD MET A 1 -15.975 6.327 8.241 1.00 0.00 S ATOM 8 CE MET A 1 -14.532 6.011 7.226 1.00 0.00 C ATOM 0 H1 MET A 1 -20.014 3.920 6.369 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.836 2.404 7.112 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.338 3.810 7.923 1.00 0.00 H new ATOM 0 HA MET A 1 -18.090 3.645 5.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.021 3.564 8.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.036 3.782 6.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.292 5.872 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.226 5.660 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.764 6.753 7.444 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.146 5.015 7.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.807 6.072 6.173 1.00 0.00 H new ATOM 20 N THR A 2 -16.921 1.393 5.307 1.00 0.00 N ATOM 21 CA THR A 2 -16.475 0.026 5.141 1.00 0.00 C ATOM 22 C THR A 2 -14.963 -0.048 5.282 1.00 0.00 C ATOM 23 O THR A 2 -14.284 0.983 5.302 1.00 0.00 O ATOM 24 CB THR A 2 -16.896 -0.543 3.769 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.309 0.224 2.704 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.411 -0.540 3.625 1.00 0.00 C ATOM 0 H THR A 2 -16.595 2.035 4.585 1.00 0.00 H new ATOM 0 HA THR A 2 -16.947 -0.575 5.918 1.00 0.00 H new ATOM 0 HB THR A 2 -16.538 -1.571 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.531 1.171 2.822 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.685 -0.945 2.651 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.852 -1.154 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.783 0.481 3.711 1.00 0.00 H new ATOM 34 N THR A 3 -14.435 -1.256 5.383 1.00 0.00 N ATOM 35 CA THR A 3 -12.999 -1.448 5.471 1.00 0.00 C ATOM 36 C THR A 3 -12.333 -1.035 4.152 1.00 0.00 C ATOM 37 O THR A 3 -11.169 -0.639 4.126 1.00 0.00 O ATOM 38 CB THR A 3 -12.648 -2.916 5.825 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.277 -3.021 6.228 1.00 0.00 O ATOM 40 CG2 THR A 3 -12.902 -3.850 4.650 1.00 0.00 C ATOM 0 H THR A 3 -14.980 -2.118 5.406 1.00 0.00 H new ATOM 0 HA THR A 3 -12.618 -0.816 6.273 1.00 0.00 H new ATOM 0 HB THR A 3 -13.295 -3.214 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.230 -3.392 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.645 -4.870 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.955 -3.805 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.288 -3.544 3.803 1.00 0.00 H new ATOM 48 N HIS A 4 -13.102 -1.087 3.061 1.00 0.00 N ATOM 49 CA HIS A 4 -12.604 -0.677 1.751 1.00 0.00 C ATOM 50 C HIS A 4 -12.264 0.811 1.753 1.00 0.00 C ATOM 51 O HIS A 4 -11.331 1.244 1.077 1.00 0.00 O ATOM 52 CB HIS A 4 -13.627 -0.976 0.646 1.00 0.00 C ATOM 53 CG HIS A 4 -13.848 -2.438 0.395 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.099 -3.009 0.323 1.00 0.00 N ATOM 55 CD2 HIS A 4 -12.968 -3.448 0.176 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.982 -4.300 0.076 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.699 -4.594 -0.020 1.00 0.00 N ATOM 0 H HIS A 4 -14.070 -1.409 3.062 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.701 -1.252 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.579 -0.516 0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.294 -0.506 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.891 -3.366 0.159 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.799 -4.999 -0.030 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.314 -5.519 -0.209 1.00 0.00 H new ATOM 66 N ASP A 5 -13.018 1.587 2.530 1.00 0.00 N ATOM 67 CA ASP A 5 -12.770 3.021 2.657 1.00 0.00 C ATOM 68 C ASP A 5 -11.443 3.267 3.348 1.00 0.00 C ATOM 69 O ASP A 5 -10.636 4.077 2.898 1.00 0.00 O ATOM 70 CB ASP A 5 -13.880 3.705 3.459 1.00 0.00 C ATOM 71 CG ASP A 5 -15.222 3.660 2.768 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.449 4.483 1.860 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.058 2.806 3.140 1.00 0.00 O ATOM 0 H ASP A 5 -13.806 1.246 3.081 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.748 3.441 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.964 3.226 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.604 4.744 3.637 1.00 0.00 H new ATOM 78 N ARG A 6 -11.227 2.548 4.441 1.00 0.00 N ATOM 79 CA ARG A 6 -10.017 2.692 5.239 1.00 0.00 C ATOM 80 C ARG A 6 -8.775 2.341 4.427 1.00 0.00 C ATOM 81 O ARG A 6 -7.751 3.015 4.526 1.00 0.00 O ATOM 82 CB ARG A 6 -10.122 1.821 6.490 1.00 0.00 C ATOM 83 CG ARG A 6 -11.132 2.354 7.495 1.00 0.00 C ATOM 84 CD ARG A 6 -11.637 1.265 8.426 1.00 0.00 C ATOM 85 NE ARG A 6 -10.557 0.577 9.129 1.00 0.00 N ATOM 86 CZ ARG A 6 -10.605 -0.711 9.466 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.697 -1.426 9.212 1.00 0.00 N ATOM 88 NH2 ARG A 6 -9.574 -1.274 10.085 1.00 0.00 N ATOM 0 H ARG A 6 -11.882 1.852 4.798 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.919 3.734 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.404 0.809 6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.143 1.756 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.674 3.150 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.975 2.796 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.318 1.704 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.211 0.539 7.851 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.723 1.110 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.499 -0.988 8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.733 -2.412 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.745 -0.720 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.611 -2.260 10.343 1.00 0.00 H new ATOM 102 N VAL A 7 -8.874 1.300 3.609 1.00 0.00 N ATOM 103 CA VAL A 7 -7.777 0.929 2.721 1.00 0.00 C ATOM 104 C VAL A 7 -7.558 2.013 1.667 1.00 0.00 C ATOM 105 O VAL A 7 -6.424 2.385 1.365 1.00 0.00 O ATOM 106 CB VAL A 7 -8.039 -0.423 2.023 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.869 -0.810 1.131 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.309 -1.513 3.049 1.00 0.00 C ATOM 0 H VAL A 7 -9.697 0.701 3.541 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.882 0.828 3.335 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.923 -0.312 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.078 -1.766 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.724 -0.045 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.965 -0.897 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.491 -2.458 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.445 -1.617 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.185 -1.247 3.641 1.00 0.00 H new ATOM 118 N ARG A 8 -8.656 2.532 1.129 1.00 0.00 N ATOM 119 CA ARG A 8 -8.607 3.584 0.118 1.00 0.00 C ATOM 120 C ARG A 8 -7.950 4.851 0.668 1.00 0.00 C ATOM 121 O ARG A 8 -7.109 5.460 0.007 1.00 0.00 O ATOM 122 CB ARG A 8 -10.022 3.889 -0.382 1.00 0.00 C ATOM 123 CG ARG A 8 -10.102 5.043 -1.365 1.00 0.00 C ATOM 124 CD ARG A 8 -11.511 5.202 -1.916 1.00 0.00 C ATOM 125 NE ARG A 8 -12.519 5.273 -0.855 1.00 0.00 N ATOM 126 CZ ARG A 8 -13.154 6.390 -0.501 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.848 7.545 -1.081 1.00 0.00 N ATOM 128 NH2 ARG A 8 -14.096 6.356 0.436 1.00 0.00 N ATOM 0 H ARG A 8 -9.600 2.238 1.379 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.000 3.231 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.428 2.995 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.657 4.112 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.796 5.966 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.405 4.874 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.561 6.106 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.738 4.363 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.749 4.414 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.125 7.579 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.336 8.398 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.335 5.473 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.580 7.213 0.704 1.00 0.00 H new ATOM 142 N LEU A 9 -8.336 5.238 1.880 1.00 0.00 N ATOM 143 CA LEU A 9 -7.763 6.414 2.529 1.00 0.00 C ATOM 144 C LEU A 9 -6.290 6.179 2.848 1.00 0.00 C ATOM 145 O LEU A 9 -5.481 7.110 2.839 1.00 0.00 O ATOM 146 CB LEU A 9 -8.530 6.752 3.812 1.00 0.00 C ATOM 147 CG LEU A 9 -10.022 7.041 3.627 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.668 7.368 4.965 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.230 8.180 2.638 1.00 0.00 C ATOM 0 H LEU A 9 -9.043 4.755 2.433 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.846 7.257 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.422 5.922 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.064 7.621 4.276 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.499 6.148 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.729 7.571 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.552 6.522 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.187 8.246 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.297 8.370 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.740 9.080 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.802 7.907 1.674 1.00 0.00 H new ATOM 161 N GLN A 10 -5.948 4.924 3.111 1.00 0.00 N ATOM 162 CA GLN A 10 -4.574 4.549 3.414 1.00 0.00 C ATOM 163 C GLN A 10 -3.716 4.639 2.158 1.00 0.00 C ATOM 164 O GLN A 10 -2.535 4.980 2.223 1.00 0.00 O ATOM 165 CB GLN A 10 -4.535 3.136 3.988 1.00 0.00 C ATOM 166 CG GLN A 10 -3.187 2.727 4.559 1.00 0.00 C ATOM 167 CD GLN A 10 -2.619 3.764 5.508 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.983 3.808 6.679 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.694 4.575 5.018 1.00 0.00 N ATOM 0 H GLN A 10 -6.607 4.146 3.120 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.172 5.239 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.288 3.055 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.813 2.431 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.292 1.778 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.484 2.564 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.421 4.504 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.254 5.271 5.621 1.00 0.00 H new ATOM 178 N LEU A 11 -4.318 4.333 1.015 1.00 0.00 N ATOM 179 CA LEU A 11 -3.638 4.485 -0.263 1.00 0.00 C ATOM 180 C LEU A 11 -3.302 5.953 -0.498 1.00 0.00 C ATOM 181 O LEU A 11 -2.224 6.284 -0.987 1.00 0.00 O ATOM 182 CB LEU A 11 -4.509 3.955 -1.403 1.00 0.00 C ATOM 183 CG LEU A 11 -4.824 2.459 -1.335 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.766 2.060 -2.457 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.544 1.638 -1.395 1.00 0.00 C ATOM 0 H LEU A 11 -5.272 3.979 0.948 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.715 3.906 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.448 4.509 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.009 4.163 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.317 2.256 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.978 0.993 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.696 2.621 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.301 2.279 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.789 0.577 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.022 1.846 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.903 1.902 -0.554 1.00 0.00 H new ATOM 197 N GLN A 12 -4.228 6.827 -0.116 1.00 0.00 N ATOM 198 CA GLN A 12 -4.009 8.265 -0.211 1.00 0.00 C ATOM 199 C GLN A 12 -2.900 8.705 0.744 1.00 0.00 C ATOM 200 O GLN A 12 -2.101 9.580 0.416 1.00 0.00 O ATOM 201 CB GLN A 12 -5.296 9.035 0.099 1.00 0.00 C ATOM 202 CG GLN A 12 -6.385 8.877 -0.953 1.00 0.00 C ATOM 203 CD GLN A 12 -7.609 9.718 -0.645 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.945 9.947 0.517 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.276 10.200 -1.683 1.00 0.00 N ATOM 0 H GLN A 12 -5.138 6.564 0.262 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.705 8.489 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.684 8.700 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.057 10.093 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.989 9.160 -1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.675 7.828 -1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.966 9.988 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.099 10.783 -1.534 1.00 0.00 H new ATOM 214 N ALA A 13 -2.853 8.090 1.921 1.00 0.00 N ATOM 215 CA ALA A 13 -1.820 8.396 2.908 1.00 0.00 C ATOM 216 C ALA A 13 -0.448 7.953 2.407 1.00 0.00 C ATOM 217 O ALA A 13 0.534 8.685 2.531 1.00 0.00 O ATOM 218 CB ALA A 13 -2.137 7.731 4.237 1.00 0.00 C ATOM 0 H ALA A 13 -3.518 7.376 2.216 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.801 9.476 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.356 7.971 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.096 8.094 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.186 6.651 4.101 1.00 0.00 H new ATOM 224 N LEU A 14 -0.394 6.756 1.830 1.00 0.00 N ATOM 225 CA LEU A 14 0.837 6.249 1.235 1.00 0.00 C ATOM 226 C LEU A 14 1.275 7.158 0.094 1.00 0.00 C ATOM 227 O LEU A 14 2.449 7.505 -0.024 1.00 0.00 O ATOM 228 CB LEU A 14 0.636 4.818 0.726 1.00 0.00 C ATOM 229 CG LEU A 14 1.871 4.166 0.099 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.993 4.042 1.120 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.518 2.803 -0.475 1.00 0.00 C ATOM 0 H LEU A 14 -1.188 6.120 1.762 1.00 0.00 H new ATOM 0 HA LEU A 14 1.616 6.237 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.301 4.198 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.166 4.822 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 14 2.220 4.804 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.860 3.576 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.265 5.033 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.658 3.428 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.407 2.353 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.143 2.159 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.751 2.918 -1.241 1.00 0.00 H new ATOM 243 N GLU A 15 0.310 7.550 -0.731 1.00 0.00 N ATOM 244 CA GLU A 15 0.548 8.488 -1.821 1.00 0.00 C ATOM 245 C GLU A 15 1.120 9.799 -1.284 1.00 0.00 C ATOM 246 O GLU A 15 2.059 10.357 -1.852 1.00 0.00 O ATOM 247 CB GLU A 15 -0.763 8.749 -2.567 1.00 0.00 C ATOM 248 CG GLU A 15 -0.659 9.803 -3.657 1.00 0.00 C ATOM 249 CD GLU A 15 -1.993 10.094 -4.309 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.823 10.793 -3.691 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.219 9.638 -5.448 1.00 0.00 O ATOM 0 H GLU A 15 -0.655 7.228 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 15 1.274 8.055 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.107 7.815 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.522 9.059 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.257 10.723 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.048 9.468 -4.416 1.00 0.00 H new ATOM 258 N ALA A 16 0.556 10.278 -0.179 1.00 0.00 N ATOM 259 CA ALA A 16 1.022 11.504 0.456 1.00 0.00 C ATOM 260 C ALA A 16 2.460 11.349 0.938 1.00 0.00 C ATOM 261 O ALA A 16 3.269 12.265 0.800 1.00 0.00 O ATOM 262 CB ALA A 16 0.111 11.887 1.612 1.00 0.00 C ATOM 0 H ALA A 16 -0.229 9.832 0.296 1.00 0.00 H new ATOM 0 HA ALA A 16 0.994 12.303 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.475 12.805 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.902 12.045 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.106 11.086 2.352 1.00 0.00 H new ATOM 268 N LEU A 17 2.772 10.181 1.491 1.00 0.00 N ATOM 269 CA LEU A 17 4.123 9.889 1.955 1.00 0.00 C ATOM 270 C LEU A 17 5.099 9.877 0.782 1.00 0.00 C ATOM 271 O LEU A 17 6.208 10.413 0.869 1.00 0.00 O ATOM 272 CB LEU A 17 4.167 8.535 2.661 1.00 0.00 C ATOM 273 CG LEU A 17 5.501 8.204 3.330 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.456 8.545 4.811 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.860 6.745 3.117 1.00 0.00 C ATOM 0 H LEU A 17 2.106 9.421 1.629 1.00 0.00 H new ATOM 0 HA LEU A 17 4.414 10.670 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.382 8.509 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.937 7.755 1.935 1.00 0.00 H new ATOM 0 HG LEU A 17 6.278 8.812 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.415 8.302 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.254 9.609 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.667 7.968 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.813 6.530 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.084 6.113 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.942 6.543 2.049 1.00 0.00 H new ATOM 287 N LEU A 18 4.677 9.250 -0.312 1.00 0.00 N ATOM 288 CA LEU A 18 5.478 9.202 -1.528 1.00 0.00 C ATOM 289 C LEU A 18 5.676 10.606 -2.077 1.00 0.00 C ATOM 290 O LEU A 18 6.750 10.945 -2.565 1.00 0.00 O ATOM 291 CB LEU A 18 4.809 8.311 -2.577 1.00 0.00 C ATOM 292 CG LEU A 18 4.617 6.854 -2.158 1.00 0.00 C ATOM 293 CD1 LEU A 18 3.892 6.078 -3.242 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.957 6.205 -1.845 1.00 0.00 C ATOM 0 H LEU A 18 3.781 8.767 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 18 6.452 8.777 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.835 8.734 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.407 8.336 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 18 4.007 6.836 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.765 5.043 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.914 6.526 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.476 6.107 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.799 5.168 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.592 6.237 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.442 6.745 -1.031 1.00 0.00 H new ATOM 306 N ARG A 19 4.631 11.413 -1.981 1.00 0.00 N ATOM 307 CA ARG A 19 4.695 12.820 -2.347 1.00 0.00 C ATOM 308 C ARG A 19 5.787 13.537 -1.552 1.00 0.00 C ATOM 309 O ARG A 19 6.635 14.223 -2.126 1.00 0.00 O ATOM 310 CB ARG A 19 3.336 13.475 -2.086 1.00 0.00 C ATOM 311 CG ARG A 19 3.363 14.993 -2.084 1.00 0.00 C ATOM 312 CD ARG A 19 2.081 15.556 -1.497 1.00 0.00 C ATOM 313 NE ARG A 19 2.177 16.990 -1.238 1.00 0.00 N ATOM 314 CZ ARG A 19 2.213 17.519 -0.014 1.00 0.00 C ATOM 315 NH1 ARG A 19 2.213 16.731 1.055 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.256 18.832 0.143 1.00 0.00 N ATOM 0 H ARG A 19 3.715 11.112 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 19 4.940 12.899 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.631 13.137 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.958 13.129 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.218 15.345 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.494 15.360 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.255 15.367 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.849 15.035 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 19 2.219 17.622 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.185 15.718 0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.241 17.139 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.262 19.443 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.283 19.233 1.081 1.00 0.00 H new ATOM 330 N GLU A 20 5.762 13.360 -0.233 1.00 0.00 N ATOM 331 CA GLU A 20 6.715 14.018 0.659 1.00 0.00 C ATOM 332 C GLU A 20 8.150 13.629 0.329 1.00 0.00 C ATOM 333 O GLU A 20 8.986 14.482 0.030 1.00 0.00 O ATOM 334 CB GLU A 20 6.434 13.649 2.116 1.00 0.00 C ATOM 335 CG GLU A 20 5.058 14.042 2.610 1.00 0.00 C ATOM 336 CD GLU A 20 4.848 13.640 4.051 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.577 12.451 4.307 1.00 0.00 O ATOM 338 OE2 GLU A 20 4.982 14.507 4.938 1.00 0.00 O ATOM 0 H GLU A 20 5.087 12.762 0.245 1.00 0.00 H new ATOM 0 HA GLU A 20 6.594 15.092 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.555 12.572 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.183 14.125 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.929 15.120 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.299 13.571 1.986 1.00 0.00 H new ATOM 345 N HIS A 21 8.425 12.332 0.365 1.00 0.00 N ATOM 346 CA HIS A 21 9.793 11.840 0.228 1.00 0.00 C ATOM 347 C HIS A 21 10.205 11.727 -1.240 1.00 0.00 C ATOM 348 O HIS A 21 11.232 11.126 -1.555 1.00 0.00 O ATOM 349 CB HIS A 21 9.941 10.487 0.933 1.00 0.00 C ATOM 350 CG HIS A 21 9.627 10.543 2.401 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.567 10.820 3.364 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.460 10.369 3.062 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.994 10.812 4.552 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.710 10.542 4.400 1.00 0.00 N ATOM 0 H HIS A 21 7.723 11.602 0.487 1.00 0.00 H new ATOM 0 HA HIS A 21 10.458 12.562 0.702 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.282 9.762 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.961 10.126 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.504 10.136 2.617 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.492 10.996 5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.022 10.474 5.150 1.00 0.00 H new ATOM 363 N GLN A 22 9.397 12.322 -2.116 1.00 0.00 N ATOM 364 CA GLN A 22 9.651 12.346 -3.560 1.00 0.00 C ATOM 365 C GLN A 22 9.848 10.942 -4.125 1.00 0.00 C ATOM 366 O GLN A 22 10.935 10.574 -4.569 1.00 0.00 O ATOM 367 CB GLN A 22 10.854 13.226 -3.898 1.00 0.00 C ATOM 368 CG GLN A 22 10.719 14.657 -3.408 1.00 0.00 C ATOM 369 CD GLN A 22 11.776 15.567 -3.993 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.875 15.125 -4.331 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.459 16.844 -4.113 1.00 0.00 N ATOM 0 H GLN A 22 8.541 12.805 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 22 8.766 12.776 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.750 12.785 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.996 13.233 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.731 15.036 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.789 14.674 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.538 17.170 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.136 17.503 -4.497 1.00 0.00 H new ATOM 380 N HIS A 23 8.789 10.159 -4.073 1.00 0.00 N ATOM 381 CA HIS A 23 8.778 8.826 -4.655 1.00 0.00 C ATOM 382 C HIS A 23 7.520 8.651 -5.487 1.00 0.00 C ATOM 383 O HIS A 23 6.995 7.548 -5.639 1.00 0.00 O ATOM 384 CB HIS A 23 8.865 7.757 -3.566 1.00 0.00 C ATOM 385 CG HIS A 23 10.263 7.500 -3.091 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.093 6.581 -3.685 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.977 8.041 -2.076 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.253 6.562 -3.064 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.211 7.440 -2.081 1.00 0.00 N ATOM 0 H HIS A 23 7.911 10.426 -3.627 1.00 0.00 H new ATOM 0 HA HIS A 23 9.650 8.710 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.252 8.063 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.442 6.827 -3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 23 10.847 6.001 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.639 8.803 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.095 5.935 -3.316 1.00 0.00 H new ATOM 398 N TRP A 24 7.049 9.763 -6.028 1.00 0.00 N ATOM 399 CA TRP A 24 5.862 9.777 -6.861 1.00 0.00 C ATOM 400 C TRP A 24 6.257 9.983 -8.318 1.00 0.00 C ATOM 401 O TRP A 24 6.895 10.979 -8.662 1.00 0.00 O ATOM 402 CB TRP A 24 4.913 10.887 -6.401 1.00 0.00 C ATOM 403 CG TRP A 24 3.605 10.897 -7.128 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.184 11.807 -8.055 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.545 9.947 -6.990 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.926 11.481 -8.498 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.513 10.341 -7.862 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.369 8.796 -6.216 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.324 9.630 -7.978 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.188 8.092 -6.334 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.180 8.509 -7.209 1.00 0.00 C ATOM 0 H TRP A 24 7.480 10.679 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 24 5.347 8.821 -6.769 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.725 10.773 -5.333 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.402 11.851 -6.537 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.757 12.659 -8.391 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.387 12.003 -9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.142 8.464 -5.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.457 9.951 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.039 7.203 -5.740 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.731 7.933 -7.279 1.00 0.00 H new ATOM 422 N ARG A 25 5.895 9.031 -9.162 1.00 0.00 N ATOM 423 CA ARG A 25 6.233 9.085 -10.576 1.00 0.00 C ATOM 424 C ARG A 25 4.996 8.835 -11.426 1.00 0.00 C ATOM 425 O ARG A 25 3.888 8.698 -10.911 1.00 0.00 O ATOM 426 CB ARG A 25 7.275 8.018 -10.925 1.00 0.00 C ATOM 427 CG ARG A 25 8.591 8.128 -10.174 1.00 0.00 C ATOM 428 CD ARG A 25 9.544 7.018 -10.597 1.00 0.00 C ATOM 429 NE ARG A 25 10.832 7.099 -9.914 1.00 0.00 N ATOM 430 CZ ARG A 25 11.996 7.245 -10.543 1.00 0.00 C ATOM 431 NH1 ARG A 25 12.033 7.296 -11.871 1.00 0.00 N ATOM 432 NH2 ARG A 25 13.127 7.316 -9.852 1.00 0.00 N ATOM 0 H ARG A 25 5.363 8.205 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 25 6.636 10.077 -10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.845 7.036 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.480 8.069 -11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.046 9.099 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.409 8.070 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.086 6.051 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.703 7.070 -11.674 1.00 0.00 H new ATOM 0 HE ARG A 25 10.840 7.040 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.169 7.223 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.925 7.408 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.107 7.259 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.016 7.428 -10.339 1.00 0.00 H new ATOM 446 N ASN A 26 5.199 8.787 -12.731 1.00 0.00 N ATOM 447 CA ASN A 26 4.180 8.320 -13.656 1.00 0.00 C ATOM 448 C ASN A 26 4.839 7.468 -14.725 1.00 0.00 C ATOM 449 O ASN A 26 5.433 7.988 -15.668 1.00 0.00 O ATOM 450 CB ASN A 26 3.421 9.488 -14.296 1.00 0.00 C ATOM 451 CG ASN A 26 2.370 9.020 -15.287 1.00 0.00 C ATOM 452 OD1 ASN A 26 1.244 8.702 -14.908 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.724 8.981 -16.564 1.00 0.00 N ATOM 0 H ASN A 26 6.071 9.069 -13.178 1.00 0.00 H new ATOM 0 HA ASN A 26 3.452 7.726 -13.104 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.943 10.079 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.129 10.144 -14.803 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.053 8.680 -17.270 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.668 9.252 -16.840 1.00 0.00 H new ATOM 460 N ASP A 27 4.768 6.159 -14.557 1.00 0.00 N ATOM 461 CA ASP A 27 5.454 5.254 -15.463 1.00 0.00 C ATOM 462 C ASP A 27 4.469 4.658 -16.460 1.00 0.00 C ATOM 463 O ASP A 27 3.298 5.051 -16.501 1.00 0.00 O ATOM 464 CB ASP A 27 6.166 4.147 -14.680 1.00 0.00 C ATOM 465 CG ASP A 27 7.434 3.677 -15.367 1.00 0.00 C ATOM 466 OD1 ASP A 27 7.344 2.869 -16.316 1.00 0.00 O ATOM 467 OD2 ASP A 27 8.532 4.121 -14.963 1.00 0.00 O ATOM 0 H ASP A 27 4.247 5.702 -13.809 1.00 0.00 H new ATOM 0 HA ASP A 27 6.206 5.818 -16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.410 4.511 -13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.489 3.302 -14.554 1.00 0.00 H new ATOM 472 N GLU A 28 4.939 3.711 -17.251 1.00 0.00 N ATOM 473 CA GLU A 28 4.142 3.138 -18.319 1.00 0.00 C ATOM 474 C GLU A 28 3.634 1.757 -17.924 1.00 0.00 C ATOM 475 O GLU A 28 4.228 1.088 -17.073 1.00 0.00 O ATOM 476 CB GLU A 28 4.980 3.040 -19.594 1.00 0.00 C ATOM 477 CG GLU A 28 5.615 4.359 -20.001 1.00 0.00 C ATOM 478 CD GLU A 28 6.462 4.237 -21.249 1.00 0.00 C ATOM 479 OE1 GLU A 28 7.576 3.680 -21.166 1.00 0.00 O ATOM 480 OE2 GLU A 28 6.020 4.705 -22.323 1.00 0.00 O ATOM 0 H GLU A 28 5.878 3.320 -17.172 1.00 0.00 H new ATOM 0 HA GLU A 28 3.283 3.785 -18.501 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.764 2.297 -19.448 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.349 2.682 -20.408 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.832 5.098 -20.169 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.232 4.729 -19.182 1.00 0.00 H new ATOM 487 N PRO A 29 2.511 1.317 -18.515 1.00 0.00 N ATOM 488 CA PRO A 29 1.990 -0.030 -18.317 1.00 0.00 C ATOM 489 C PRO A 29 2.820 -1.054 -19.078 1.00 0.00 C ATOM 490 O PRO A 29 2.352 -1.653 -20.045 1.00 0.00 O ATOM 491 CB PRO A 29 0.558 0.031 -18.877 1.00 0.00 C ATOM 492 CG PRO A 29 0.302 1.472 -19.182 1.00 0.00 C ATOM 493 CD PRO A 29 1.648 2.098 -19.406 1.00 0.00 C ATOM 0 HA PRO A 29 2.019 -0.334 -17.271 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.462 -0.582 -19.773 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.162 -0.349 -18.152 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.328 1.577 -20.065 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.221 1.957 -18.358 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.963 2.022 -20.447 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.651 3.157 -19.149 1.00 0.00 H new ATOM 501 N GLN A 30 4.064 -1.225 -18.637 1.00 0.00 N ATOM 502 CA GLN A 30 5.016 -2.111 -19.294 1.00 0.00 C ATOM 503 C GLN A 30 4.485 -3.540 -19.343 1.00 0.00 C ATOM 504 O GLN A 30 4.352 -4.195 -18.307 1.00 0.00 O ATOM 505 CB GLN A 30 6.360 -2.082 -18.559 1.00 0.00 C ATOM 506 CG GLN A 30 6.930 -0.681 -18.369 1.00 0.00 C ATOM 507 CD GLN A 30 8.246 -0.687 -17.612 1.00 0.00 C ATOM 508 OE1 GLN A 30 9.029 -1.634 -17.712 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.495 0.357 -16.836 1.00 0.00 N ATOM 0 H GLN A 30 4.438 -0.752 -17.814 1.00 0.00 H new ATOM 0 HA GLN A 30 5.157 -1.759 -20.316 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.239 -2.550 -17.582 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.079 -2.684 -19.114 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.078 -0.217 -19.344 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.207 -0.068 -17.830 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.823 1.122 -16.779 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.359 0.396 -16.295 1.00 0.00 H new ATOM 518 N PRO A 31 4.158 -4.028 -20.551 1.00 0.00 N ATOM 519 CA PRO A 31 3.618 -5.376 -20.750 1.00 0.00 C ATOM 520 C PRO A 31 4.443 -6.470 -20.073 1.00 0.00 C ATOM 521 O PRO A 31 3.879 -7.385 -19.471 1.00 0.00 O ATOM 522 CB PRO A 31 3.639 -5.547 -22.268 1.00 0.00 C ATOM 523 CG PRO A 31 3.526 -4.163 -22.801 1.00 0.00 C ATOM 524 CD PRO A 31 4.254 -3.284 -21.824 1.00 0.00 C ATOM 0 HA PRO A 31 2.628 -5.475 -20.305 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.560 -6.026 -22.601 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.813 -6.172 -22.608 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.967 -4.090 -23.795 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.482 -3.864 -22.893 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.291 -3.128 -22.120 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.792 -2.299 -21.749 1.00 0.00 H new ATOM 532 N HIS A 32 5.774 -6.377 -20.151 1.00 0.00 N ATOM 533 CA HIS A 32 6.633 -7.409 -19.564 1.00 0.00 C ATOM 534 C HIS A 32 6.578 -7.374 -18.038 1.00 0.00 C ATOM 535 O HIS A 32 6.861 -8.370 -17.378 1.00 0.00 O ATOM 536 CB HIS A 32 8.095 -7.314 -20.063 1.00 0.00 C ATOM 537 CG HIS A 32 8.859 -6.070 -19.680 1.00 0.00 C ATOM 538 ND1 HIS A 32 9.487 -5.262 -20.603 1.00 0.00 N ATOM 539 CD2 HIS A 32 9.132 -5.521 -18.470 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.113 -4.282 -19.982 1.00 0.00 C ATOM 541 NE2 HIS A 32 9.913 -4.413 -18.685 1.00 0.00 N ATOM 0 H HIS A 32 6.273 -5.612 -20.606 1.00 0.00 H new ATOM 0 HA HIS A 32 6.241 -8.369 -19.900 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.641 -8.179 -19.686 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.090 -7.390 -21.150 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.796 -5.889 -17.512 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.692 -3.503 -20.456 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.278 -3.794 -17.962 1.00 0.00 H new ATOM 550 N GLN A 33 6.192 -6.232 -17.484 1.00 0.00 N ATOM 551 CA GLN A 33 6.108 -6.081 -16.039 1.00 0.00 C ATOM 552 C GLN A 33 4.915 -6.854 -15.490 1.00 0.00 C ATOM 553 O GLN A 33 5.073 -7.754 -14.671 1.00 0.00 O ATOM 554 CB GLN A 33 6.005 -4.602 -15.663 1.00 0.00 C ATOM 555 CG GLN A 33 5.567 -4.365 -14.226 1.00 0.00 C ATOM 556 CD GLN A 33 5.500 -2.896 -13.864 1.00 0.00 C ATOM 557 OE1 GLN A 33 4.628 -2.479 -13.109 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.438 -2.110 -14.364 1.00 0.00 N ATOM 0 H GLN A 33 5.933 -5.399 -18.013 1.00 0.00 H new ATOM 0 HA GLN A 33 7.016 -6.489 -15.596 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.974 -4.128 -15.821 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.298 -4.114 -16.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.587 -4.817 -14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.261 -4.869 -13.553 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.146 -2.495 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.453 -1.119 -14.125 1.00 0.00 H new ATOM 567 N PHE A 34 3.726 -6.528 -15.974 1.00 0.00 N ATOM 568 CA PHE A 34 2.506 -7.151 -15.475 1.00 0.00 C ATOM 569 C PHE A 34 2.436 -8.623 -15.868 1.00 0.00 C ATOM 570 O PHE A 34 1.694 -9.400 -15.270 1.00 0.00 O ATOM 571 CB PHE A 34 1.277 -6.401 -15.988 1.00 0.00 C ATOM 572 CG PHE A 34 1.272 -4.950 -15.601 1.00 0.00 C ATOM 573 CD1 PHE A 34 0.922 -4.564 -14.315 1.00 0.00 C ATOM 574 CD2 PHE A 34 1.630 -3.974 -16.515 1.00 0.00 C ATOM 575 CE1 PHE A 34 0.928 -3.233 -13.951 1.00 0.00 C ATOM 576 CE2 PHE A 34 1.639 -2.640 -16.154 1.00 0.00 C ATOM 577 CZ PHE A 34 1.287 -2.269 -14.872 1.00 0.00 C ATOM 0 H PHE A 34 3.578 -5.837 -16.710 1.00 0.00 H new ATOM 0 HA PHE A 34 2.521 -7.096 -14.386 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.236 -6.482 -17.074 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.378 -6.878 -15.599 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.642 -5.314 -13.590 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.905 -4.258 -17.520 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.652 -2.946 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.922 -1.888 -16.875 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.292 -1.227 -14.590 1.00 0.00 H new ATOM 587 N ASN A 35 3.229 -9.007 -16.860 1.00 0.00 N ATOM 588 CA ASN A 35 3.270 -10.394 -17.305 1.00 0.00 C ATOM 589 C ASN A 35 4.252 -11.199 -16.459 1.00 0.00 C ATOM 590 O ASN A 35 4.338 -12.422 -16.580 1.00 0.00 O ATOM 591 CB ASN A 35 3.626 -10.463 -18.796 1.00 0.00 C ATOM 592 CG ASN A 35 3.618 -11.877 -19.345 1.00 0.00 C ATOM 593 OD1 ASN A 35 2.563 -12.429 -19.657 1.00 0.00 O ATOM 594 ND2 ASN A 35 4.797 -12.457 -19.508 1.00 0.00 N ATOM 0 H ASN A 35 3.851 -8.380 -17.370 1.00 0.00 H new ATOM 0 HA ASN A 35 2.282 -10.836 -17.175 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.918 -9.856 -19.361 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.613 -10.026 -18.948 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.853 -13.395 -19.905 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.649 -11.966 -19.237 1.00 0.00 H new ATOM 601 N SER A 36 4.985 -10.517 -15.589 1.00 0.00 N ATOM 602 CA SER A 36 5.799 -11.208 -14.605 1.00 0.00 C ATOM 603 C SER A 36 4.877 -11.902 -13.609 1.00 0.00 C ATOM 604 O SER A 36 5.175 -12.993 -13.124 1.00 0.00 O ATOM 605 CB SER A 36 6.732 -10.231 -13.885 1.00 0.00 C ATOM 606 OG SER A 36 7.522 -9.507 -14.812 1.00 0.00 O ATOM 0 H SER A 36 5.031 -9.499 -15.546 1.00 0.00 H new ATOM 0 HA SER A 36 6.423 -11.948 -15.106 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.144 -9.538 -13.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.379 -10.779 -13.200 1.00 0.00 H new ATOM 0 HG SER A 36 6.946 -9.133 -15.511 1.00 0.00 H new ATOM 612 N THR A 37 3.754 -11.239 -13.313 1.00 0.00 N ATOM 613 CA THR A 37 2.677 -11.814 -12.505 1.00 0.00 C ATOM 614 C THR A 37 3.091 -11.992 -11.029 1.00 0.00 C ATOM 615 O THR A 37 2.275 -12.344 -10.172 1.00 0.00 O ATOM 616 CB THR A 37 2.198 -13.145 -13.137 1.00 0.00 C ATOM 617 OG1 THR A 37 1.778 -12.903 -14.489 1.00 0.00 O ATOM 618 CG2 THR A 37 1.045 -13.769 -12.364 1.00 0.00 C ATOM 0 H THR A 37 3.567 -10.287 -13.628 1.00 0.00 H new ATOM 0 HA THR A 37 1.841 -11.114 -12.501 1.00 0.00 H new ATOM 0 HB THR A 37 3.035 -13.843 -13.108 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.565 -12.768 -15.057 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.745 -14.699 -12.846 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.362 -13.976 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.201 -13.079 -12.350 1.00 0.00 H new ATOM 626 N GLN A 38 4.357 -11.718 -10.733 1.00 0.00 N ATOM 627 CA GLN A 38 4.840 -11.695 -9.358 1.00 0.00 C ATOM 628 C GLN A 38 4.045 -10.677 -8.550 1.00 0.00 C ATOM 629 O GLN A 38 3.678 -9.628 -9.077 1.00 0.00 O ATOM 630 CB GLN A 38 6.322 -11.320 -9.320 1.00 0.00 C ATOM 631 CG GLN A 38 7.247 -12.352 -9.936 1.00 0.00 C ATOM 632 CD GLN A 38 8.659 -11.826 -10.082 1.00 0.00 C ATOM 633 OE1 GLN A 38 8.864 -10.630 -10.270 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.640 -12.705 -9.987 1.00 0.00 N ATOM 0 H GLN A 38 5.070 -11.508 -11.431 1.00 0.00 H new ATOM 0 HA GLN A 38 4.712 -12.688 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.458 -10.372 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.617 -11.159 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.255 -13.248 -9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.865 -12.644 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.428 -13.690 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.609 -12.398 -10.070 1.00 0.00 H new ATOM 643 N PRO A 39 3.783 -10.963 -7.266 1.00 0.00 N ATOM 644 CA PRO A 39 2.999 -10.074 -6.399 1.00 0.00 C ATOM 645 C PRO A 39 3.491 -8.630 -6.437 1.00 0.00 C ATOM 646 O PRO A 39 2.697 -7.691 -6.458 1.00 0.00 O ATOM 647 CB PRO A 39 3.199 -10.673 -5.007 1.00 0.00 C ATOM 648 CG PRO A 39 3.469 -12.116 -5.253 1.00 0.00 C ATOM 649 CD PRO A 39 4.214 -12.183 -6.557 1.00 0.00 C ATOM 0 HA PRO A 39 1.956 -10.020 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.030 -10.197 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.314 -10.536 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.060 -12.546 -4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.540 -12.683 -5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.293 -12.197 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.961 -13.083 -7.117 1.00 0.00 H new ATOM 657 N PHE A 40 4.806 -8.465 -6.468 1.00 0.00 N ATOM 658 CA PHE A 40 5.410 -7.136 -6.487 1.00 0.00 C ATOM 659 C PHE A 40 6.106 -6.874 -7.818 1.00 0.00 C ATOM 660 O PHE A 40 6.762 -5.850 -7.981 1.00 0.00 O ATOM 661 CB PHE A 40 6.434 -6.992 -5.357 1.00 0.00 C ATOM 662 CG PHE A 40 6.001 -7.591 -4.050 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.170 -6.898 -3.190 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.439 -8.852 -3.680 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.781 -7.456 -1.987 1.00 0.00 C ATOM 666 CE2 PHE A 40 6.055 -9.413 -2.482 1.00 0.00 C ATOM 667 CZ PHE A 40 5.225 -8.715 -1.635 1.00 0.00 C ATOM 0 H PHE A 40 5.477 -9.233 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 40 4.609 -6.410 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.368 -7.461 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.644 -5.933 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.822 -5.912 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.091 -9.404 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.130 -6.907 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.404 -10.398 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.921 -9.152 -0.695 1.00 0.00 H new ATOM 677 N PHE A 41 5.958 -7.808 -8.763 1.00 0.00 N ATOM 678 CA PHE A 41 6.668 -7.743 -10.046 1.00 0.00 C ATOM 679 C PHE A 41 8.164 -7.516 -9.819 1.00 0.00 C ATOM 680 O PHE A 41 8.827 -6.834 -10.593 1.00 0.00 O ATOM 681 CB PHE A 41 6.085 -6.631 -10.926 1.00 0.00 C ATOM 682 CG PHE A 41 4.610 -6.778 -11.178 1.00 0.00 C ATOM 683 CD1 PHE A 41 4.112 -7.887 -11.841 1.00 0.00 C ATOM 684 CD2 PHE A 41 3.722 -5.803 -10.756 1.00 0.00 C ATOM 685 CE1 PHE A 41 2.757 -8.021 -12.078 1.00 0.00 C ATOM 686 CE2 PHE A 41 2.367 -5.932 -10.990 1.00 0.00 C ATOM 687 CZ PHE A 41 1.884 -7.041 -11.650 1.00 0.00 C ATOM 0 H PHE A 41 5.351 -8.621 -8.663 1.00 0.00 H new ATOM 0 HA PHE A 41 6.537 -8.695 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.270 -5.668 -10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.610 -6.622 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.791 -8.657 -12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.093 -4.931 -10.238 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.382 -8.891 -12.597 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.686 -5.164 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.824 -7.143 -11.832 1.00 0.00 H new ATOM 697 N MET A 42 8.681 -8.177 -8.784 1.00 0.00 N ATOM 698 CA MET A 42 10.021 -7.928 -8.242 1.00 0.00 C ATOM 699 C MET A 42 11.137 -8.019 -9.283 1.00 0.00 C ATOM 700 O MET A 42 12.189 -7.400 -9.121 1.00 0.00 O ATOM 701 CB MET A 42 10.293 -8.914 -7.105 1.00 0.00 C ATOM 702 CG MET A 42 9.397 -8.696 -5.899 1.00 0.00 C ATOM 703 SD MET A 42 9.573 -9.970 -4.636 1.00 0.00 S ATOM 704 CE MET A 42 8.503 -11.247 -5.287 1.00 0.00 C ATOM 0 H MET A 42 8.175 -8.912 -8.289 1.00 0.00 H new ATOM 0 HA MET A 42 10.028 -6.900 -7.881 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.155 -9.931 -7.473 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.335 -8.825 -6.797 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.623 -7.725 -5.459 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.359 -8.663 -6.229 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.699 -11.445 -4.578 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.077 -10.917 -6.235 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.079 -12.158 -5.446 1.00 0.00 H new ATOM 714 N ASP A 43 10.927 -8.792 -10.334 1.00 0.00 N ATOM 715 CA ASP A 43 11.942 -8.942 -11.366 1.00 0.00 C ATOM 716 C ASP A 43 11.975 -7.720 -12.272 1.00 0.00 C ATOM 717 O ASP A 43 13.026 -7.110 -12.475 1.00 0.00 O ATOM 718 CB ASP A 43 11.686 -10.194 -12.206 1.00 0.00 C ATOM 719 CG ASP A 43 12.848 -10.505 -13.129 1.00 0.00 C ATOM 720 OD1 ASP A 43 12.975 -9.855 -14.187 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.651 -11.398 -12.791 1.00 0.00 O ATOM 0 H ASP A 43 10.071 -9.322 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 43 12.906 -9.042 -10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.509 -11.044 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.781 -10.056 -12.797 1.00 0.00 H new ATOM 726 N THR A 44 10.812 -7.355 -12.789 1.00 0.00 N ATOM 727 CA THR A 44 10.711 -6.297 -13.780 1.00 0.00 C ATOM 728 C THR A 44 10.595 -4.916 -13.138 1.00 0.00 C ATOM 729 O THR A 44 10.889 -3.898 -13.772 1.00 0.00 O ATOM 730 CB THR A 44 9.511 -6.553 -14.705 1.00 0.00 C ATOM 731 OG1 THR A 44 8.400 -7.042 -13.941 1.00 0.00 O ATOM 732 CG2 THR A 44 9.876 -7.560 -15.784 1.00 0.00 C ATOM 0 H THR A 44 9.920 -7.780 -12.536 1.00 0.00 H new ATOM 0 HA THR A 44 11.631 -6.308 -14.365 1.00 0.00 H new ATOM 0 HB THR A 44 9.234 -5.613 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.114 -7.909 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.015 -7.729 -16.430 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.704 -7.173 -16.378 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.171 -8.501 -15.319 1.00 0.00 H new ATOM 740 N MET A 45 10.176 -4.879 -11.887 1.00 0.00 N ATOM 741 CA MET A 45 10.089 -3.630 -11.150 1.00 0.00 C ATOM 742 C MET A 45 10.595 -3.835 -9.729 1.00 0.00 C ATOM 743 O MET A 45 10.337 -4.866 -9.112 1.00 0.00 O ATOM 744 CB MET A 45 8.648 -3.106 -11.142 1.00 0.00 C ATOM 745 CG MET A 45 8.521 -1.686 -10.611 1.00 0.00 C ATOM 746 SD MET A 45 6.851 -1.019 -10.780 1.00 0.00 S ATOM 747 CE MET A 45 7.119 0.677 -10.282 1.00 0.00 C ATOM 0 H MET A 45 9.889 -5.702 -11.357 1.00 0.00 H new ATOM 0 HA MET A 45 10.714 -2.885 -11.642 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.251 -3.143 -12.156 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.032 -3.769 -10.534 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.809 -1.670 -9.560 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.220 -1.041 -11.143 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.160 1.151 -10.075 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.736 0.699 -9.384 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.625 1.216 -11.083 1.00 0.00 H new ATOM 757 N GLU A 46 11.334 -2.863 -9.222 1.00 0.00 N ATOM 758 CA GLU A 46 11.896 -2.957 -7.884 1.00 0.00 C ATOM 759 C GLU A 46 10.823 -2.652 -6.846 1.00 0.00 C ATOM 760 O GLU A 46 9.814 -2.025 -7.164 1.00 0.00 O ATOM 761 CB GLU A 46 13.074 -1.986 -7.705 1.00 0.00 C ATOM 762 CG GLU A 46 14.206 -2.168 -8.707 1.00 0.00 C ATOM 763 CD GLU A 46 13.910 -1.536 -10.051 1.00 0.00 C ATOM 764 OE1 GLU A 46 13.902 -0.289 -10.132 1.00 0.00 O ATOM 765 OE2 GLU A 46 13.694 -2.277 -11.035 1.00 0.00 O ATOM 0 H GLU A 46 11.559 -1.999 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 46 12.264 -3.974 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.700 -0.965 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.475 -2.105 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.119 -1.733 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.395 -3.233 -8.845 1.00 0.00 H new ATOM 772 N PRO A 47 11.018 -3.093 -5.591 1.00 0.00 N ATOM 773 CA PRO A 47 10.108 -2.758 -4.490 1.00 0.00 C ATOM 774 C PRO A 47 9.955 -1.247 -4.328 1.00 0.00 C ATOM 775 O PRO A 47 8.931 -0.758 -3.843 1.00 0.00 O ATOM 776 CB PRO A 47 10.791 -3.364 -3.262 1.00 0.00 C ATOM 777 CG PRO A 47 11.655 -4.450 -3.804 1.00 0.00 C ATOM 778 CD PRO A 47 12.113 -3.979 -5.154 1.00 0.00 C ATOM 0 HA PRO A 47 9.100 -3.139 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.381 -2.618 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.059 -3.756 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.504 -4.637 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.102 -5.386 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.062 -3.447 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.257 -4.811 -5.843 1.00 0.00 H new ATOM 786 N LEU A 48 10.983 -0.517 -4.739 1.00 0.00 N ATOM 787 CA LEU A 48 10.943 0.935 -4.745 1.00 0.00 C ATOM 788 C LEU A 48 10.110 1.420 -5.919 1.00 0.00 C ATOM 789 O LEU A 48 10.192 0.866 -7.017 1.00 0.00 O ATOM 790 CB LEU A 48 12.357 1.517 -4.836 1.00 0.00 C ATOM 791 CG LEU A 48 13.264 1.228 -3.640 1.00 0.00 C ATOM 792 CD1 LEU A 48 14.674 1.727 -3.912 1.00 0.00 C ATOM 793 CD2 LEU A 48 12.708 1.877 -2.384 1.00 0.00 C ATOM 0 H LEU A 48 11.861 -0.913 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 48 10.490 1.273 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.835 1.127 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.280 2.597 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 48 13.300 0.149 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.308 1.514 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.075 1.223 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.652 2.802 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.365 1.662 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.645 2.955 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.714 1.480 -2.179 1.00 0.00 H new ATOM 805 N GLU A 49 9.303 2.442 -5.660 1.00 0.00 N ATOM 806 CA GLU A 49 8.415 3.051 -6.656 1.00 0.00 C ATOM 807 C GLU A 49 7.210 2.157 -6.964 1.00 0.00 C ATOM 808 O GLU A 49 6.178 2.645 -7.415 1.00 0.00 O ATOM 809 CB GLU A 49 9.171 3.409 -7.947 1.00 0.00 C ATOM 810 CG GLU A 49 10.454 4.202 -7.716 1.00 0.00 C ATOM 811 CD GLU A 49 10.253 5.416 -6.831 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.123 5.240 -5.603 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.237 6.550 -7.359 1.00 0.00 O ATOM 0 H GLU A 49 9.243 2.881 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 49 8.040 3.977 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.415 2.490 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.511 3.986 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.200 3.550 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.853 4.523 -8.678 1.00 0.00 H new ATOM 820 N TRP A 50 7.332 0.856 -6.702 1.00 0.00 N ATOM 821 CA TRP A 50 6.228 -0.080 -6.912 1.00 0.00 C ATOM 822 C TRP A 50 5.034 0.286 -6.029 1.00 0.00 C ATOM 823 O TRP A 50 3.883 -0.029 -6.351 1.00 0.00 O ATOM 824 CB TRP A 50 6.679 -1.516 -6.620 1.00 0.00 C ATOM 825 CG TRP A 50 5.601 -2.526 -6.860 1.00 0.00 C ATOM 826 CD1 TRP A 50 5.244 -3.066 -8.059 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.730 -3.105 -5.881 1.00 0.00 C ATOM 828 NE1 TRP A 50 4.203 -3.943 -7.888 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.869 -3.985 -6.560 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.595 -2.963 -4.497 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.885 -4.718 -5.902 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.621 -3.692 -3.845 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.776 -4.560 -4.548 1.00 0.00 C ATOM 0 H TRP A 50 8.185 0.426 -6.344 1.00 0.00 H new ATOM 0 HA TRP A 50 5.921 -0.014 -7.956 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.539 -1.755 -7.245 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.009 -1.584 -5.583 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.712 -2.837 -9.005 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.751 -4.477 -8.630 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.241 -2.295 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.231 -5.387 -6.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.509 -3.591 -2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.023 -5.116 -4.010 1.00 0.00 H new ATOM 844 N LEU A 51 5.327 0.964 -4.921 1.00 0.00 N ATOM 845 CA LEU A 51 4.299 1.440 -3.998 1.00 0.00 C ATOM 846 C LEU A 51 3.223 2.239 -4.730 1.00 0.00 C ATOM 847 O LEU A 51 2.057 2.228 -4.343 1.00 0.00 O ATOM 848 CB LEU A 51 4.939 2.296 -2.901 1.00 0.00 C ATOM 849 CG LEU A 51 5.765 1.524 -1.871 1.00 0.00 C ATOM 850 CD1 LEU A 51 6.429 2.480 -0.896 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.888 0.532 -1.123 1.00 0.00 C ATOM 0 H LEU A 51 6.279 1.198 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 51 3.821 0.572 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.580 3.042 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.150 2.838 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 51 6.543 0.972 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.012 1.913 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.087 3.157 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.665 3.057 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.491 -0.009 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.090 1.068 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.453 -0.174 -1.830 1.00 0.00 H new ATOM 863 N GLN A 52 3.621 2.918 -5.797 1.00 0.00 N ATOM 864 CA GLN A 52 2.688 3.673 -6.612 1.00 0.00 C ATOM 865 C GLN A 52 2.631 3.091 -8.019 1.00 0.00 C ATOM 866 O GLN A 52 3.433 2.220 -8.358 1.00 0.00 O ATOM 867 CB GLN A 52 3.069 5.159 -6.632 1.00 0.00 C ATOM 868 CG GLN A 52 4.521 5.453 -6.999 1.00 0.00 C ATOM 869 CD GLN A 52 4.759 5.547 -8.495 1.00 0.00 C ATOM 870 OE1 GLN A 52 4.598 6.608 -9.086 1.00 0.00 O ATOM 871 NE2 GLN A 52 5.177 4.456 -9.111 1.00 0.00 N ATOM 0 H GLN A 52 4.589 2.959 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 52 1.692 3.596 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.420 5.674 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.867 5.583 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.823 6.390 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.158 4.671 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.300 3.590 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.377 4.480 -10.111 1.00 0.00 H new ATOM 880 N TRP A 53 1.671 3.558 -8.815 1.00 0.00 N ATOM 881 CA TRP A 53 1.466 3.095 -10.192 1.00 0.00 C ATOM 882 C TRP A 53 0.873 1.685 -10.226 1.00 0.00 C ATOM 883 O TRP A 53 -0.101 1.431 -10.937 1.00 0.00 O ATOM 884 CB TRP A 53 2.767 3.161 -11.010 1.00 0.00 C ATOM 885 CG TRP A 53 2.601 2.706 -12.429 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.350 1.769 -13.081 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.618 3.160 -13.368 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.895 1.616 -14.369 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.831 2.458 -14.567 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.579 4.093 -13.308 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.040 2.659 -15.695 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.203 4.291 -14.428 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.030 3.576 -15.608 1.00 0.00 C ATOM 0 H TRP A 53 1.006 4.274 -8.523 1.00 0.00 H new ATOM 0 HA TRP A 53 0.747 3.772 -10.654 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.139 4.186 -11.006 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.524 2.545 -10.525 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.178 1.228 -12.648 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.285 0.980 -15.064 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.391 4.649 -12.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.218 2.109 -16.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.008 5.010 -14.393 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.601 3.752 -16.467 1.00 0.00 H new ATOM 904 N VAL A 54 1.446 0.770 -9.461 1.00 0.00 N ATOM 905 CA VAL A 54 0.908 -0.574 -9.384 1.00 0.00 C ATOM 906 C VAL A 54 0.074 -0.760 -8.122 1.00 0.00 C ATOM 907 O VAL A 54 -1.144 -0.846 -8.203 1.00 0.00 O ATOM 908 CB VAL A 54 2.003 -1.654 -9.430 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.377 -3.041 -9.392 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.862 -1.493 -10.674 1.00 0.00 C ATOM 0 H VAL A 54 2.276 0.933 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 54 0.276 -0.696 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 54 2.642 -1.536 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.163 -3.796 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.802 -3.156 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.717 -3.166 -10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.630 -2.266 -10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.237 -1.586 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.335 -0.511 -10.665 1.00 0.00 H new ATOM 920 N LEU A 55 0.734 -0.785 -6.963 1.00 0.00 N ATOM 921 CA LEU A 55 0.075 -1.132 -5.699 1.00 0.00 C ATOM 922 C LEU A 55 -1.178 -0.291 -5.442 1.00 0.00 C ATOM 923 O LEU A 55 -2.278 -0.834 -5.337 1.00 0.00 O ATOM 924 CB LEU A 55 1.049 -0.982 -4.526 1.00 0.00 C ATOM 925 CG LEU A 55 0.491 -1.396 -3.158 1.00 0.00 C ATOM 926 CD1 LEU A 55 0.139 -2.875 -3.140 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.486 -1.067 -2.058 1.00 0.00 C ATOM 0 H LEU A 55 1.727 -0.569 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.239 -2.172 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.938 -1.578 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.369 0.059 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.423 -0.831 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.254 -3.143 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.614 -3.079 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.033 -3.464 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.075 -1.367 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.418 -1.603 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.680 0.006 -2.052 1.00 0.00 H new ATOM 939 N ILE A 56 -1.012 1.023 -5.353 1.00 0.00 N ATOM 940 CA ILE A 56 -2.128 1.911 -5.027 1.00 0.00 C ATOM 941 C ILE A 56 -3.319 1.743 -5.998 1.00 0.00 C ATOM 942 O ILE A 56 -4.430 1.446 -5.552 1.00 0.00 O ATOM 943 CB ILE A 56 -1.681 3.395 -4.945 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.695 3.583 -3.787 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.881 4.318 -4.780 1.00 0.00 C ATOM 946 CD1 ILE A 56 -0.121 4.982 -3.692 1.00 0.00 C ATOM 0 H ILE A 56 -0.122 1.498 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.475 1.613 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.183 3.657 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.199 3.343 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.123 2.872 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.540 5.352 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.550 4.201 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.413 4.062 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.568 5.036 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.413 5.220 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.930 5.698 -3.547 1.00 0.00 H new ATOM 958 N PRO A 57 -3.135 1.909 -7.332 1.00 0.00 N ATOM 959 CA PRO A 57 -4.238 1.763 -8.295 1.00 0.00 C ATOM 960 C PRO A 57 -4.787 0.337 -8.363 1.00 0.00 C ATOM 961 O PRO A 57 -5.986 0.139 -8.571 1.00 0.00 O ATOM 962 CB PRO A 57 -3.613 2.156 -9.640 1.00 0.00 C ATOM 963 CG PRO A 57 -2.372 2.894 -9.285 1.00 0.00 C ATOM 964 CD PRO A 57 -1.880 2.262 -8.018 1.00 0.00 C ATOM 0 HA PRO A 57 -5.091 2.379 -8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.390 1.276 -10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.290 2.780 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.628 2.815 -10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.574 3.956 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.264 1.385 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.275 2.951 -7.429 1.00 0.00 H new ATOM 972 N ARG A 58 -3.916 -0.651 -8.177 1.00 0.00 N ATOM 973 CA ARG A 58 -4.327 -2.053 -8.215 1.00 0.00 C ATOM 974 C ARG A 58 -5.275 -2.352 -7.062 1.00 0.00 C ATOM 975 O ARG A 58 -6.252 -3.085 -7.217 1.00 0.00 O ATOM 976 CB ARG A 58 -3.111 -2.980 -8.143 1.00 0.00 C ATOM 977 CG ARG A 58 -3.439 -4.448 -8.353 1.00 0.00 C ATOM 978 CD ARG A 58 -2.193 -5.306 -8.248 1.00 0.00 C ATOM 979 NE ARG A 58 -2.454 -6.702 -8.593 1.00 0.00 N ATOM 980 CZ ARG A 58 -1.616 -7.705 -8.321 1.00 0.00 C ATOM 981 NH1 ARG A 58 -0.487 -7.473 -7.658 1.00 0.00 N ATOM 982 NH2 ARG A 58 -1.906 -8.941 -8.703 1.00 0.00 N ATOM 0 H ARG A 58 -2.922 -0.508 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.842 -2.232 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.385 -2.669 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.633 -2.861 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.170 -4.770 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.897 -4.585 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.423 -4.908 -8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.801 -5.252 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.328 -6.923 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.259 -6.526 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.151 -8.242 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.773 -9.129 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.262 -9.704 -8.493 1.00 0.00 H new ATOM 996 N MET A 59 -4.984 -1.775 -5.906 1.00 0.00 N ATOM 997 CA MET A 59 -5.836 -1.949 -4.741 1.00 0.00 C ATOM 998 C MET A 59 -7.102 -1.118 -4.865 1.00 0.00 C ATOM 999 O MET A 59 -8.151 -1.510 -4.364 1.00 0.00 O ATOM 1000 CB MET A 59 -5.074 -1.612 -3.461 1.00 0.00 C ATOM 1001 CG MET A 59 -4.381 -2.821 -2.854 1.00 0.00 C ATOM 1002 SD MET A 59 -3.393 -3.739 -4.054 1.00 0.00 S ATOM 1003 CE MET A 59 -3.010 -5.216 -3.119 1.00 0.00 C ATOM 0 H MET A 59 -4.167 -1.184 -5.750 1.00 0.00 H new ATOM 0 HA MET A 59 -6.133 -2.996 -4.688 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.332 -0.844 -3.677 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.766 -1.191 -2.732 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.739 -2.493 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.130 -3.485 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.073 -5.641 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.913 -4.963 -2.063 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.811 -5.945 -3.245 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.014 0.021 -5.553 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.208 0.804 -5.867 1.00 0.00 C ATOM 1015 C HIS A 60 -9.202 -0.053 -6.639 1.00 0.00 C ATOM 1016 O HIS A 60 -10.399 0.001 -6.388 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.874 2.056 -6.680 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.523 3.254 -5.852 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.464 4.027 -5.211 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.330 3.826 -5.584 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.863 5.023 -4.589 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.565 4.928 -4.798 1.00 0.00 N ATOM 0 H HIS A 60 -6.140 0.417 -5.899 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.646 1.125 -4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.040 1.831 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.727 2.303 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.366 3.480 -5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.353 5.789 -4.006 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.855 5.565 -4.437 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.680 -0.844 -7.572 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.481 -1.811 -8.323 1.00 0.00 C ATOM 1033 C ASP A 61 -10.202 -2.772 -7.377 1.00 0.00 C ATOM 1034 O ASP A 61 -11.423 -2.910 -7.429 1.00 0.00 O ATOM 1035 CB ASP A 61 -8.572 -2.584 -9.291 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.180 -3.882 -9.792 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.960 -3.849 -10.764 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -8.851 -4.947 -9.228 1.00 0.00 O ATOM 0 H ASP A 61 -7.693 -0.835 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.240 -1.276 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.341 -1.948 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.628 -2.804 -8.792 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.435 -3.399 -6.495 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.974 -4.357 -5.529 1.00 0.00 C ATOM 1045 C LEU A 62 -11.050 -3.710 -4.653 1.00 0.00 C ATOM 1046 O LEU A 62 -12.110 -4.295 -4.407 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.832 -4.885 -4.652 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.219 -5.920 -3.593 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.590 -7.245 -4.240 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.077 -6.108 -2.605 1.00 0.00 C ATOM 0 H LEU A 62 -8.427 -3.262 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.435 -5.181 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.076 -5.326 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.366 -4.038 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.093 -5.553 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.861 -7.964 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.436 -7.098 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.739 -7.624 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.362 -6.846 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.190 -6.454 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.860 -5.159 -2.115 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.766 -2.498 -4.188 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.676 -1.766 -3.316 1.00 0.00 C ATOM 1064 C LEU A 63 -12.931 -1.323 -4.063 1.00 0.00 C ATOM 1065 O LEU A 63 -14.040 -1.428 -3.540 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.967 -0.542 -2.734 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.684 -0.845 -1.960 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.973 0.443 -1.589 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.985 -1.667 -0.718 1.00 0.00 C ATOM 0 H LEU A 63 -9.903 -1.998 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.978 -2.436 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.729 0.142 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.659 -0.021 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.026 -1.430 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.062 0.210 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.719 0.992 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.627 1.053 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.057 -1.871 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.663 -1.112 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.450 -2.609 -1.009 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.747 -0.837 -5.285 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.856 -0.338 -6.094 1.00 0.00 C ATOM 1083 C ASP A 64 -14.790 -1.472 -6.493 1.00 0.00 C ATOM 1084 O ASP A 64 -16.012 -1.316 -6.477 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.332 0.377 -7.341 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.445 0.890 -8.233 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.002 1.967 -7.941 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.761 0.226 -9.241 1.00 0.00 O ATOM 0 H ASP A 64 -11.836 -0.777 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.418 0.375 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.701 1.212 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.703 -0.308 -7.910 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.211 -2.620 -6.830 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.001 -3.802 -7.168 1.00 0.00 C ATOM 1095 C ASN A 65 -15.683 -4.351 -5.921 1.00 0.00 C ATOM 1096 O ASN A 65 -16.589 -5.182 -6.010 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.127 -4.887 -7.807 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.528 -4.460 -9.133 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -14.096 -3.638 -9.855 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -12.376 -5.017 -9.467 1.00 0.00 N ATOM 0 H ASN A 65 -13.202 -2.758 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.760 -3.505 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.323 -5.150 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.725 -5.786 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.927 -4.770 -10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.937 -5.693 -8.843 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.226 -3.877 -4.759 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.844 -4.190 -3.471 1.00 0.00 C ATOM 1109 C LYS A 66 -15.718 -5.671 -3.145 1.00 0.00 C ATOM 1110 O LYS A 66 -16.571 -6.246 -2.470 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.314 -3.761 -3.473 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.505 -2.299 -3.833 1.00 0.00 C ATOM 1113 CD LYS A 66 -18.971 -1.941 -3.985 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.138 -0.545 -4.557 1.00 0.00 C ATOM 1115 NZ LYS A 66 -18.616 -0.451 -5.946 1.00 0.00 N ATOM 0 H LYS A 66 -14.414 -3.264 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.316 -3.634 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.866 -4.379 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.742 -3.946 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.057 -1.673 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.980 -2.083 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.459 -2.665 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.465 -2.001 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.193 -0.272 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.616 0.172 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.883 0.467 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.580 -0.537 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.020 -1.218 -6.521 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.632 -6.275 -3.599 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.391 -7.683 -3.347 1.00 0.00 C ATOM 1131 C GLN A 67 -13.799 -7.860 -1.952 1.00 0.00 C ATOM 1132 O GLN A 67 -13.146 -6.949 -1.430 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.434 -8.264 -4.397 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.614 -7.718 -5.815 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.778 -8.324 -6.598 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.699 -8.468 -7.817 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -15.877 -8.643 -5.934 1.00 0.00 N ATOM 0 H GLN A 67 -13.905 -5.811 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.339 -8.217 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.410 -8.071 -4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.562 -9.346 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.758 -6.639 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.693 -7.888 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.918 -8.514 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.684 -9.018 -6.433 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.046 -9.020 -1.319 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.458 -9.348 -0.017 1.00 0.00 C ATOM 1148 C PRO A 68 -11.938 -9.318 -0.078 1.00 0.00 C ATOM 1149 O PRO A 68 -11.340 -9.788 -1.054 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.956 -10.769 0.262 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.171 -10.921 -0.584 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.917 -10.098 -1.814 1.00 0.00 C ATOM 0 HA PRO A 68 -13.741 -8.637 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.200 -11.511 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.190 -10.906 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.341 -11.967 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.060 -10.574 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.432 -10.681 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.843 -9.707 -2.236 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.315 -8.773 0.956 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.874 -8.597 0.960 1.00 0.00 C ATOM 1162 C LEU A 69 -9.167 -9.950 0.981 1.00 0.00 C ATOM 1163 O LEU A 69 -9.673 -10.916 1.556 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.432 -7.732 2.145 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.961 -6.291 2.127 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.374 -5.491 3.278 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.650 -5.618 0.797 1.00 0.00 C ATOM 0 H LEU A 69 -11.785 -8.446 1.800 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.592 -8.079 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.758 -8.212 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.343 -7.703 2.169 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.044 -6.325 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.761 -4.472 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.651 -5.957 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.288 -5.469 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.034 -4.598 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.571 -5.598 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.122 -6.176 -0.012 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.992 -10.035 0.334 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.223 -11.279 0.221 1.00 0.00 C ATOM 1181 C PRO A 70 -6.997 -11.964 1.568 1.00 0.00 C ATOM 1182 O PRO A 70 -6.987 -13.192 1.656 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.893 -10.822 -0.377 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.217 -9.574 -1.120 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.330 -8.915 -0.359 1.00 0.00 C ATOM 0 HA PRO A 70 -7.747 -12.021 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.152 -10.638 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.477 -11.580 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.347 -8.920 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.522 -9.797 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.950 -8.176 0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.017 -8.395 -1.026 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.800 -11.169 2.612 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.631 -11.718 3.948 1.00 0.00 C ATOM 1195 C GLY A 71 -5.212 -12.179 4.220 1.00 0.00 C ATOM 1196 O GLY A 71 -4.754 -12.167 5.364 1.00 0.00 O ATOM 0 H GLY A 71 -6.754 -10.151 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.910 -10.964 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.312 -12.559 4.079 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.523 -12.590 3.166 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.149 -13.045 3.267 1.00 0.00 C ATOM 1202 C ALA A 72 -2.272 -12.257 2.304 1.00 0.00 C ATOM 1203 O ALA A 72 -1.753 -12.787 1.318 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.058 -14.540 2.993 1.00 0.00 C ATOM 0 H ALA A 72 -4.902 -12.617 2.219 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.791 -12.872 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.020 -14.862 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.663 -15.081 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.426 -14.749 1.988 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.154 -10.973 2.578 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.344 -10.080 1.772 1.00 0.00 C ATOM 1212 C PHE A 73 -0.535 -9.167 2.682 1.00 0.00 C ATOM 1213 O PHE A 73 -1.038 -8.160 3.178 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.232 -9.260 0.827 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.480 -8.278 -0.034 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -0.757 -8.705 -1.138 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.499 -6.924 0.263 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.069 -7.800 -1.926 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.814 -6.016 -0.520 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.097 -6.453 -1.615 1.00 0.00 C ATOM 0 H PHE A 73 -2.617 -10.519 3.365 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.658 -10.668 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.784 -9.943 0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.968 -8.717 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.731 -9.756 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.057 -6.574 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.490 -8.145 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.839 -4.964 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.441 -5.745 -2.228 1.00 0.00 H new ATOM 1230 N ALA A 74 0.704 -9.555 2.931 1.00 0.00 N ATOM 1231 CA ALA A 74 1.593 -8.774 3.770 1.00 0.00 C ATOM 1232 C ALA A 74 2.693 -8.144 2.929 1.00 0.00 C ATOM 1233 O ALA A 74 3.259 -8.791 2.047 1.00 0.00 O ATOM 1234 CB ALA A 74 2.189 -9.646 4.866 1.00 0.00 C ATOM 0 H ALA A 74 1.118 -10.411 2.561 1.00 0.00 H new ATOM 0 HA ALA A 74 1.019 -7.976 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.854 -9.046 5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.388 -10.055 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.753 -10.463 4.415 1.00 0.00 H new ATOM 1240 N VAL A 75 2.984 -6.882 3.200 1.00 0.00 N ATOM 1241 CA VAL A 75 4.011 -6.158 2.465 1.00 0.00 C ATOM 1242 C VAL A 75 5.053 -5.579 3.414 1.00 0.00 C ATOM 1243 O VAL A 75 6.219 -5.434 3.049 1.00 0.00 O ATOM 1244 CB VAL A 75 3.422 -5.017 1.601 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.481 -5.573 0.547 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.703 -3.986 2.460 1.00 0.00 C ATOM 0 H VAL A 75 2.522 -6.335 3.926 1.00 0.00 H new ATOM 0 HA VAL A 75 4.481 -6.882 1.800 1.00 0.00 H new ATOM 0 HB VAL A 75 4.253 -4.519 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.078 -4.754 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.025 -6.260 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.663 -6.104 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.301 -3.198 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.888 -4.467 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.405 -3.553 3.173 1.00 0.00 H new ATOM 1256 N ALA A 76 4.638 -5.277 4.640 1.00 0.00 N ATOM 1257 CA ALA A 76 5.525 -4.651 5.614 1.00 0.00 C ATOM 1258 C ALA A 76 6.720 -5.552 5.955 1.00 0.00 C ATOM 1259 O ALA A 76 7.861 -5.097 5.891 1.00 0.00 O ATOM 1260 CB ALA A 76 4.757 -4.254 6.867 1.00 0.00 C ATOM 0 H ALA A 76 3.694 -5.455 4.982 1.00 0.00 H new ATOM 0 HA ALA A 76 5.926 -3.744 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.438 -3.789 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.970 -3.547 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.311 -5.141 7.317 1.00 0.00 H new ATOM 1266 N PRO A 77 6.495 -6.843 6.307 1.00 0.00 N ATOM 1267 CA PRO A 77 7.589 -7.783 6.582 1.00 0.00 C ATOM 1268 C PRO A 77 8.544 -7.912 5.400 1.00 0.00 C ATOM 1269 O PRO A 77 9.747 -8.101 5.578 1.00 0.00 O ATOM 1270 CB PRO A 77 6.882 -9.120 6.847 1.00 0.00 C ATOM 1271 CG PRO A 77 5.501 -8.944 6.318 1.00 0.00 C ATOM 1272 CD PRO A 77 5.183 -7.489 6.492 1.00 0.00 C ATOM 0 HA PRO A 77 8.203 -7.449 7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.394 -9.942 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.869 -9.354 7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.443 -9.235 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.791 -9.568 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.455 -7.144 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.765 -7.281 7.477 1.00 0.00 H new ATOM 1280 N TYR A 78 8.001 -7.791 4.193 1.00 0.00 N ATOM 1281 CA TYR A 78 8.804 -7.873 2.983 1.00 0.00 C ATOM 1282 C TYR A 78 9.645 -6.611 2.811 1.00 0.00 C ATOM 1283 O TYR A 78 10.843 -6.685 2.547 1.00 0.00 O ATOM 1284 CB TYR A 78 7.912 -8.086 1.754 1.00 0.00 C ATOM 1285 CG TYR A 78 8.667 -7.989 0.447 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.540 -8.995 0.054 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.528 -6.880 -0.380 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.249 -8.901 -1.126 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.237 -6.777 -1.559 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.096 -7.790 -1.927 1.00 0.00 C ATOM 1291 OH TYR A 78 10.810 -7.687 -3.096 1.00 0.00 O ATOM 0 H TYR A 78 7.006 -7.636 4.029 1.00 0.00 H new ATOM 0 HA TYR A 78 9.473 -8.728 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.439 -9.066 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.112 -7.345 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.666 -9.865 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.854 -6.086 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.920 -9.694 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.120 -5.908 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 78 10.777 -8.541 -3.576 1.00 0.00 H new ATOM 1301 N TYR A 79 9.015 -5.454 2.971 1.00 0.00 N ATOM 1302 CA TYR A 79 9.713 -4.182 2.826 1.00 0.00 C ATOM 1303 C TYR A 79 10.728 -3.972 3.941 1.00 0.00 C ATOM 1304 O TYR A 79 11.686 -3.226 3.775 1.00 0.00 O ATOM 1305 CB TYR A 79 8.722 -3.020 2.776 1.00 0.00 C ATOM 1306 CG TYR A 79 8.205 -2.732 1.383 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.152 -3.455 0.840 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.776 -1.727 0.612 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.687 -3.188 -0.435 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.318 -1.454 -0.660 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.273 -2.185 -1.179 1.00 0.00 C ATOM 1312 OH TYR A 79 6.813 -1.909 -2.445 1.00 0.00 O ATOM 0 H TYR A 79 8.025 -5.370 3.201 1.00 0.00 H new ATOM 0 HA TYR A 79 10.257 -4.213 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.879 -3.243 3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.203 -2.125 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.689 -4.238 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.594 -1.149 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.869 -3.762 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.777 -0.671 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 79 7.534 -1.509 -2.975 1.00 0.00 H new ATOM 1322 N GLU A 80 10.524 -4.643 5.069 1.00 0.00 N ATOM 1323 CA GLU A 80 11.502 -4.634 6.155 1.00 0.00 C ATOM 1324 C GLU A 80 12.820 -5.251 5.678 1.00 0.00 C ATOM 1325 O GLU A 80 13.888 -5.005 6.242 1.00 0.00 O ATOM 1326 CB GLU A 80 10.949 -5.402 7.361 1.00 0.00 C ATOM 1327 CG GLU A 80 11.879 -5.428 8.564 1.00 0.00 C ATOM 1328 CD GLU A 80 11.277 -6.167 9.739 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.183 -7.409 9.679 1.00 0.00 O ATOM 1330 OE2 GLU A 80 10.896 -5.509 10.729 1.00 0.00 O ATOM 0 H GLU A 80 9.691 -5.201 5.257 1.00 0.00 H new ATOM 0 HA GLU A 80 11.693 -3.605 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.001 -4.954 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.736 -6.427 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.820 -5.902 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.113 -4.406 8.862 1.00 0.00 H new ATOM 1337 N MET A 81 12.727 -6.057 4.629 1.00 0.00 N ATOM 1338 CA MET A 81 13.897 -6.649 3.998 1.00 0.00 C ATOM 1339 C MET A 81 14.286 -5.853 2.760 1.00 0.00 C ATOM 1340 O MET A 81 15.443 -5.462 2.598 1.00 0.00 O ATOM 1341 CB MET A 81 13.607 -8.092 3.590 1.00 0.00 C ATOM 1342 CG MET A 81 13.292 -9.014 4.751 1.00 0.00 C ATOM 1343 SD MET A 81 12.693 -10.624 4.199 1.00 0.00 S ATOM 1344 CE MET A 81 14.005 -11.106 3.077 1.00 0.00 C ATOM 0 H MET A 81 11.842 -6.318 4.194 1.00 0.00 H new ATOM 0 HA MET A 81 14.717 -6.632 4.716 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.767 -8.100 2.896 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.469 -8.486 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.187 -9.150 5.358 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.541 -8.548 5.389 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.936 -12.175 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.907 -10.552 2.143 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.971 -10.884 3.530 1.00 0.00 H new ATOM 1354 N ALA A 82 13.297 -5.617 1.898 1.00 0.00 N ATOM 1355 CA ALA A 82 13.510 -4.954 0.613 1.00 0.00 C ATOM 1356 C ALA A 82 14.056 -3.540 0.782 1.00 0.00 C ATOM 1357 O ALA A 82 14.941 -3.119 0.038 1.00 0.00 O ATOM 1358 CB ALA A 82 12.212 -4.922 -0.178 1.00 0.00 C ATOM 0 H ALA A 82 12.327 -5.880 2.071 1.00 0.00 H new ATOM 0 HA ALA A 82 14.257 -5.530 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.381 -4.426 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.868 -5.941 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.456 -4.376 0.386 1.00 0.00 H new ATOM 1364 N LEU A 83 13.524 -2.804 1.750 1.00 0.00 N ATOM 1365 CA LEU A 83 14.023 -1.469 2.040 1.00 0.00 C ATOM 1366 C LEU A 83 15.301 -1.577 2.848 1.00 0.00 C ATOM 1367 O LEU A 83 15.281 -1.479 4.073 1.00 0.00 O ATOM 1368 CB LEU A 83 12.990 -0.633 2.803 1.00 0.00 C ATOM 1369 CG LEU A 83 11.671 -0.391 2.073 1.00 0.00 C ATOM 1370 CD1 LEU A 83 10.722 0.418 2.942 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.915 0.316 0.752 1.00 0.00 C ATOM 0 H LEU A 83 12.752 -3.108 2.343 1.00 0.00 H new ATOM 0 HA LEU A 83 14.221 -0.965 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.775 -1.128 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.435 0.333 3.042 1.00 0.00 H new ATOM 0 HG LEU A 83 11.210 -1.357 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.787 0.581 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.521 -0.126 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.177 1.380 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.964 0.480 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.398 1.276 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.559 -0.299 0.124 1.00 0.00 H new ATOM 1383 N ALA A 84 16.399 -1.827 2.153 1.00 0.00 N ATOM 1384 CA ALA A 84 17.699 -1.972 2.786 1.00 0.00 C ATOM 1385 C ALA A 84 18.080 -0.710 3.538 1.00 0.00 C ATOM 1386 O ALA A 84 17.571 0.376 3.254 1.00 0.00 O ATOM 1387 CB ALA A 84 18.753 -2.318 1.746 1.00 0.00 C ATOM 0 H ALA A 84 16.414 -1.935 1.139 1.00 0.00 H new ATOM 0 HA ALA A 84 17.642 -2.786 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.723 -2.424 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.488 -3.255 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.805 -1.523 1.002 1.00 0.00 H new ATOM 1393 N THR A 85 18.995 -0.857 4.481 1.00 0.00 N ATOM 1394 CA THR A 85 19.414 0.240 5.337 1.00 0.00 C ATOM 1395 C THR A 85 20.325 1.221 4.594 1.00 0.00 C ATOM 1396 O THR A 85 21.064 1.995 5.204 1.00 0.00 O ATOM 1397 CB THR A 85 20.135 -0.317 6.571 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.777 -1.699 6.736 1.00 0.00 O ATOM 1399 CG2 THR A 85 19.738 0.456 7.817 1.00 0.00 C ATOM 0 H THR A 85 19.468 -1.740 4.675 1.00 0.00 H new ATOM 0 HA THR A 85 18.524 0.787 5.646 1.00 0.00 H new ATOM 0 HB THR A 85 21.211 -0.219 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.235 -2.064 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 85 20.260 0.046 8.681 1.00 0.00 H new ATOM 0 HG22 THR A 85 20.007 1.505 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.662 0.372 7.970 1.00 0.00 H new ATOM 1407 N ASP A 86 20.255 1.183 3.271 1.00 0.00 N ATOM 1408 CA ASP A 86 20.981 2.118 2.427 1.00 0.00 C ATOM 1409 C ASP A 86 20.402 3.514 2.596 1.00 0.00 C ATOM 1410 O ASP A 86 21.134 4.501 2.707 1.00 0.00 O ATOM 1411 CB ASP A 86 20.892 1.680 0.964 1.00 0.00 C ATOM 1412 CG ASP A 86 21.608 2.629 0.025 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.853 2.566 -0.048 1.00 0.00 O ATOM 1414 OD2 ASP A 86 20.928 3.430 -0.654 1.00 0.00 O ATOM 0 H ASP A 86 19.695 0.505 2.755 1.00 0.00 H new ATOM 0 HA ASP A 86 22.030 2.131 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.319 0.682 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 86 19.844 1.610 0.673 1.00 0.00 H new ATOM 1419 N HIS A 87 19.078 3.584 2.617 1.00 0.00 N ATOM 1420 CA HIS A 87 18.379 4.830 2.880 1.00 0.00 C ATOM 1421 C HIS A 87 17.632 4.730 4.207 1.00 0.00 C ATOM 1422 O HIS A 87 16.705 3.933 4.345 1.00 0.00 O ATOM 1423 CB HIS A 87 17.400 5.158 1.744 1.00 0.00 C ATOM 1424 CG HIS A 87 16.718 6.486 1.900 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.327 7.685 1.597 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.474 6.799 2.334 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.487 8.676 1.839 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.357 8.167 2.287 1.00 0.00 N ATOM 0 H HIS A 87 18.465 2.785 2.454 1.00 0.00 H new ATOM 0 HA HIS A 87 19.112 5.635 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.939 5.145 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.644 4.375 1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.715 6.102 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.692 9.726 1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.531 8.701 2.555 1.00 0.00 H new ATOM 1437 N PRO A 88 18.046 5.527 5.201 1.00 0.00 N ATOM 1438 CA PRO A 88 17.397 5.575 6.517 1.00 0.00 C ATOM 1439 C PRO A 88 15.986 6.152 6.444 1.00 0.00 C ATOM 1440 O PRO A 88 15.520 6.531 5.367 1.00 0.00 O ATOM 1441 CB PRO A 88 18.306 6.498 7.342 1.00 0.00 C ATOM 1442 CG PRO A 88 19.577 6.587 6.570 1.00 0.00 C ATOM 1443 CD PRO A 88 19.193 6.435 5.129 1.00 0.00 C ATOM 0 HA PRO A 88 17.282 4.579 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.855 7.482 7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.478 6.092 8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 88 20.073 7.542 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 88 20.274 5.806 6.873 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.927 7.390 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 88 20.005 6.017 4.534 1.00 0.00 H new ATOM 1451 N GLN A 89 15.320 6.229 7.596 1.00 0.00 N ATOM 1452 CA GLN A 89 13.941 6.713 7.679 1.00 0.00 C ATOM 1453 C GLN A 89 12.990 5.768 6.951 1.00 0.00 C ATOM 1454 O GLN A 89 11.918 6.172 6.492 1.00 0.00 O ATOM 1455 CB GLN A 89 13.827 8.132 7.114 1.00 0.00 C ATOM 1456 CG GLN A 89 14.562 9.169 7.944 1.00 0.00 C ATOM 1457 CD GLN A 89 14.610 10.529 7.278 1.00 0.00 C ATOM 1458 OE1 GLN A 89 14.632 10.634 6.053 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.633 11.580 8.081 1.00 0.00 N ATOM 0 H GLN A 89 15.719 5.959 8.495 1.00 0.00 H new ATOM 0 HA GLN A 89 13.656 6.740 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.221 8.144 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.774 8.407 7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.075 9.262 8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.579 8.824 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.613 11.450 9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.670 12.521 7.689 1.00 0.00 H new ATOM 1468 N ARG A 90 13.372 4.497 6.885 1.00 0.00 N ATOM 1469 CA ARG A 90 12.557 3.491 6.221 1.00 0.00 C ATOM 1470 C ARG A 90 11.386 3.092 7.113 1.00 0.00 C ATOM 1471 O ARG A 90 10.373 2.580 6.637 1.00 0.00 O ATOM 1472 CB ARG A 90 13.398 2.256 5.860 1.00 0.00 C ATOM 1473 CG ARG A 90 13.910 1.479 7.065 1.00 0.00 C ATOM 1474 CD ARG A 90 14.721 0.261 6.647 1.00 0.00 C ATOM 1475 NE ARG A 90 15.105 -0.562 7.795 1.00 0.00 N ATOM 1476 CZ ARG A 90 15.654 -1.774 7.702 1.00 0.00 C ATOM 1477 NH1 ARG A 90 15.892 -2.315 6.512 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.960 -2.442 8.807 1.00 0.00 N ATOM 0 H ARG A 90 14.241 4.141 7.284 1.00 0.00 H new ATOM 0 HA ARG A 90 12.168 3.919 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.798 1.590 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.249 2.573 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.526 2.132 7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.067 1.162 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.139 -0.340 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.617 0.586 6.118 1.00 0.00 H new ATOM 0 HE ARG A 90 14.942 -0.183 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.655 -1.803 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.312 -3.242 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.775 -2.028 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.380 -3.369 8.743 1.00 0.00 H new ATOM 1492 N ALA A 91 11.524 3.360 8.409 1.00 0.00 N ATOM 1493 CA ALA A 91 10.499 3.002 9.380 1.00 0.00 C ATOM 1494 C ALA A 91 9.249 3.852 9.196 1.00 0.00 C ATOM 1495 O ALA A 91 8.149 3.425 9.535 1.00 0.00 O ATOM 1496 CB ALA A 91 11.033 3.140 10.794 1.00 0.00 C ATOM 0 H ALA A 91 12.339 3.825 8.810 1.00 0.00 H new ATOM 0 HA ALA A 91 10.226 1.960 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.253 2.868 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.890 2.480 10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.340 4.171 10.968 1.00 0.00 H new ATOM 1502 N LEU A 92 9.425 5.056 8.661 1.00 0.00 N ATOM 1503 CA LEU A 92 8.292 5.918 8.336 1.00 0.00 C ATOM 1504 C LEU A 92 7.432 5.255 7.269 1.00 0.00 C ATOM 1505 O LEU A 92 6.203 5.191 7.382 1.00 0.00 O ATOM 1506 CB LEU A 92 8.779 7.286 7.841 1.00 0.00 C ATOM 1507 CG LEU A 92 9.607 8.088 8.846 1.00 0.00 C ATOM 1508 CD1 LEU A 92 10.124 9.368 8.207 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.785 8.405 10.086 1.00 0.00 C ATOM 0 H LEU A 92 10.337 5.457 8.444 1.00 0.00 H new ATOM 0 HA LEU A 92 7.698 6.069 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.375 7.137 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.911 7.880 7.554 1.00 0.00 H new ATOM 0 HG LEU A 92 10.462 7.483 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.711 9.927 8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.750 9.120 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.282 9.976 7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.392 8.976 10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.910 8.991 9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.463 7.476 10.556 1.00 0.00 H new ATOM 1521 N ILE A 93 8.096 4.743 6.240 1.00 0.00 N ATOM 1522 CA ILE A 93 7.418 4.036 5.167 1.00 0.00 C ATOM 1523 C ILE A 93 6.789 2.759 5.706 1.00 0.00 C ATOM 1524 O ILE A 93 5.621 2.475 5.451 1.00 0.00 O ATOM 1525 CB ILE A 93 8.390 3.691 4.018 1.00 0.00 C ATOM 1526 CG1 ILE A 93 9.088 4.961 3.522 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.647 3.007 2.876 1.00 0.00 C ATOM 1528 CD1 ILE A 93 10.119 4.709 2.443 1.00 0.00 C ATOM 0 H ILE A 93 9.108 4.806 6.128 1.00 0.00 H new ATOM 0 HA ILE A 93 6.642 4.691 4.771 1.00 0.00 H new ATOM 0 HB ILE A 93 9.146 3.001 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.337 5.652 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.572 5.452 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.348 2.771 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.189 2.087 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.872 3.673 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.570 5.655 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.892 4.044 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.638 4.247 1.581 1.00 0.00 H new ATOM 1540 N LEU A 94 7.569 2.012 6.482 1.00 0.00 N ATOM 1541 CA LEU A 94 7.096 0.775 7.091 1.00 0.00 C ATOM 1542 C LEU A 94 5.886 1.032 7.984 1.00 0.00 C ATOM 1543 O LEU A 94 4.987 0.202 8.067 1.00 0.00 O ATOM 1544 CB LEU A 94 8.214 0.113 7.903 1.00 0.00 C ATOM 1545 CG LEU A 94 9.412 -0.381 7.086 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.493 -0.934 8.001 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.974 -1.440 6.089 1.00 0.00 C ATOM 0 H LEU A 94 8.537 2.245 6.704 1.00 0.00 H new ATOM 0 HA LEU A 94 6.796 0.102 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.571 0.825 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.793 -0.732 8.448 1.00 0.00 H new ATOM 0 HG LEU A 94 9.824 0.466 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.335 -1.280 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.829 -0.152 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.091 -1.768 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.837 -1.780 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.537 -2.284 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.233 -1.017 5.411 1.00 0.00 H new ATOM 1559 N ALA A 95 5.866 2.190 8.636 1.00 0.00 N ATOM 1560 CA ALA A 95 4.753 2.570 9.499 1.00 0.00 C ATOM 1561 C ALA A 95 3.450 2.613 8.714 1.00 0.00 C ATOM 1562 O ALA A 95 2.466 1.968 9.093 1.00 0.00 O ATOM 1563 CB ALA A 95 5.021 3.917 10.154 1.00 0.00 C ATOM 0 H ALA A 95 6.611 2.884 8.583 1.00 0.00 H new ATOM 0 HA ALA A 95 4.657 1.816 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.180 4.184 10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.929 3.855 10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.146 4.678 9.383 1.00 0.00 H new ATOM 1569 N GLU A 96 3.449 3.360 7.613 1.00 0.00 N ATOM 1570 CA GLU A 96 2.272 3.448 6.755 1.00 0.00 C ATOM 1571 C GLU A 96 1.975 2.099 6.096 1.00 0.00 C ATOM 1572 O GLU A 96 0.818 1.767 5.828 1.00 0.00 O ATOM 1573 CB GLU A 96 2.462 4.528 5.686 1.00 0.00 C ATOM 1574 CG GLU A 96 2.491 5.944 6.242 1.00 0.00 C ATOM 1575 CD GLU A 96 1.240 6.287 7.029 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.129 6.203 6.459 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.363 6.659 8.218 1.00 0.00 O ATOM 0 H GLU A 96 4.247 3.911 7.295 1.00 0.00 H new ATOM 0 HA GLU A 96 1.421 3.721 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.393 4.338 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.655 4.450 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.364 6.060 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.604 6.651 5.420 1.00 0.00 H new ATOM 1584 N LEU A 97 3.022 1.320 5.851 1.00 0.00 N ATOM 1585 CA LEU A 97 2.866 -0.009 5.274 1.00 0.00 C ATOM 1586 C LEU A 97 2.156 -0.944 6.241 1.00 0.00 C ATOM 1587 O LEU A 97 1.255 -1.673 5.845 1.00 0.00 O ATOM 1588 CB LEU A 97 4.219 -0.599 4.876 1.00 0.00 C ATOM 1589 CG LEU A 97 4.921 0.117 3.723 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.261 -0.531 3.432 1.00 0.00 C ATOM 1591 CD2 LEU A 97 4.046 0.114 2.479 1.00 0.00 C ATOM 0 H LEU A 97 3.988 1.586 6.043 1.00 0.00 H new ATOM 0 HA LEU A 97 2.255 0.094 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.875 -0.584 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.076 -1.644 4.602 1.00 0.00 H new ATOM 0 HG LEU A 97 5.095 1.152 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.747 -0.008 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.892 -0.476 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.109 -1.575 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.563 0.628 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.839 -0.914 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.108 0.626 2.693 1.00 0.00 H new ATOM 1603 N GLU A 98 2.560 -0.915 7.509 1.00 0.00 N ATOM 1604 CA GLU A 98 1.933 -1.748 8.533 1.00 0.00 C ATOM 1605 C GLU A 98 0.452 -1.423 8.660 1.00 0.00 C ATOM 1606 O GLU A 98 -0.364 -2.306 8.916 1.00 0.00 O ATOM 1607 CB GLU A 98 2.615 -1.563 9.887 1.00 0.00 C ATOM 1608 CG GLU A 98 4.054 -2.038 9.917 1.00 0.00 C ATOM 1609 CD GLU A 98 4.694 -1.827 11.268 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.038 -0.671 11.592 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.857 -2.816 12.012 1.00 0.00 O ATOM 0 H GLU A 98 3.318 -0.325 7.852 1.00 0.00 H new ATOM 0 HA GLU A 98 2.045 -2.787 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.585 -0.507 10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.048 -2.103 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.091 -3.097 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.627 -1.506 9.158 1.00 0.00 H new ATOM 1618 N LYS A 99 0.115 -0.151 8.484 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.278 0.273 8.469 1.00 0.00 C ATOM 1620 C LYS A 99 -2.058 -0.501 7.411 1.00 0.00 C ATOM 1621 O LYS A 99 -3.041 -1.177 7.719 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.366 1.768 8.180 1.00 0.00 C ATOM 1623 CG LYS A 99 -1.022 2.662 9.358 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.924 4.113 8.915 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.892 5.072 10.090 1.00 0.00 C ATOM 1626 NZ LYS A 99 -2.146 5.022 10.887 1.00 0.00 N ATOM 0 H LYS A 99 0.788 0.604 8.350 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.713 0.069 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.696 2.005 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.377 2.001 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.783 2.563 10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.076 2.345 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.024 4.247 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.773 4.354 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.045 4.830 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.735 6.087 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.218 5.877 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.963 4.974 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.136 4.181 11.498 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.593 -0.413 6.170 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.226 -1.104 5.052 1.00 0.00 C ATOM 1642 C LEU A 100 -2.167 -2.619 5.251 1.00 0.00 C ATOM 1643 O LEU A 100 -3.133 -3.337 4.981 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.524 -0.719 3.747 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.183 -1.248 2.473 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.561 -0.630 2.289 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.305 -0.968 1.262 1.00 0.00 C ATOM 0 H LEU A 100 -0.773 0.135 5.911 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.273 -0.805 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.474 0.368 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.497 -1.083 3.784 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.301 -2.327 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.015 -1.018 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.190 -0.882 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.467 0.453 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.790 -1.352 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.155 0.107 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.340 -1.459 1.391 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.027 -3.082 5.747 1.00 0.00 N ATOM 1660 CA ASP A 101 -0.785 -4.499 5.998 1.00 0.00 C ATOM 1661 C ASP A 101 -1.842 -5.057 6.947 1.00 0.00 C ATOM 1662 O ASP A 101 -2.377 -6.147 6.735 1.00 0.00 O ATOM 1663 CB ASP A 101 0.611 -4.675 6.607 1.00 0.00 C ATOM 1664 CG ASP A 101 1.175 -6.068 6.431 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.738 -6.994 7.150 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.083 -6.237 5.591 1.00 0.00 O ATOM 0 H ASP A 101 -0.238 -2.482 5.988 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.843 -5.045 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.291 -3.956 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.567 -4.441 7.671 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.145 -4.291 7.990 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.144 -4.687 8.974 1.00 0.00 C ATOM 1673 C ALA A 102 -4.556 -4.594 8.405 1.00 0.00 C ATOM 1674 O ALA A 102 -5.439 -5.351 8.801 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.020 -3.831 10.225 1.00 0.00 C ATOM 0 H ALA A 102 -1.710 -3.387 8.175 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.959 -5.729 9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.772 -4.138 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.027 -3.958 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.172 -2.783 9.966 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.761 -3.676 7.465 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.075 -3.490 6.850 1.00 0.00 C ATOM 1683 C LEU A 103 -6.503 -4.737 6.086 1.00 0.00 C ATOM 1684 O LEU A 103 -7.672 -5.111 6.099 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.070 -2.281 5.913 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.789 -0.936 6.584 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.758 0.173 5.550 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.835 -0.638 7.645 1.00 0.00 C ATOM 0 H LEU A 103 -4.037 -3.050 7.112 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.792 -3.311 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.321 -2.445 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.038 -2.225 5.414 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.814 -0.991 7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.557 1.124 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.974 -0.031 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.721 0.224 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.617 0.323 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.822 -0.602 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.817 -1.421 8.403 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.551 -5.396 5.436 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.848 -6.627 4.713 1.00 0.00 C ATOM 1702 C PHE A 104 -6.126 -7.776 5.677 1.00 0.00 C ATOM 1703 O PHE A 104 -6.621 -8.828 5.276 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.714 -6.990 3.756 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.668 -6.103 2.548 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.582 -6.273 1.520 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -3.729 -5.094 2.442 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.557 -5.456 0.409 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -3.700 -4.270 1.334 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.615 -4.453 0.315 1.00 0.00 C ATOM 0 H PHE A 104 -4.575 -5.102 5.394 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.748 -6.454 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.763 -6.925 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.831 -8.026 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.323 -7.055 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.010 -4.948 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.274 -5.601 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.963 -3.484 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.593 -3.812 -0.554 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.810 -7.565 6.947 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.119 -8.537 7.984 1.00 0.00 C ATOM 1722 C ALA A 105 -7.364 -8.105 8.757 1.00 0.00 C ATOM 1723 O ALA A 105 -7.794 -8.771 9.701 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.935 -8.703 8.927 1.00 0.00 C ATOM 0 H ALA A 105 -5.338 -6.726 7.284 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.319 -9.499 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.183 -9.434 9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.068 -9.048 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.706 -7.746 9.395 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.942 -6.981 8.346 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.133 -6.444 8.995 1.00 0.00 C ATOM 1732 C ASP A 106 -10.384 -7.127 8.455 1.00 0.00 C ATOM 1733 O ASP A 106 -11.281 -7.494 9.213 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.226 -4.934 8.778 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.404 -4.310 9.493 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.273 -3.981 10.691 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.456 -4.116 8.856 1.00 0.00 O ATOM 0 H ASP A 106 -7.603 -6.422 7.563 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.059 -6.639 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.306 -4.464 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.305 -4.729 7.710 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.425 -7.321 7.142 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.548 -8.006 6.500 1.00 0.00 C ATOM 1744 C ASP A 107 -11.322 -9.513 6.528 1.00 0.00 C ATOM 1745 O ASP A 107 -11.961 -10.287 5.819 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.721 -7.501 5.061 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.980 -8.017 4.383 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.084 -7.813 4.935 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.873 -8.613 3.286 1.00 0.00 O ATOM 0 H ASP A 107 -9.695 -7.015 6.499 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.464 -7.787 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.742 -6.411 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.853 -7.800 4.473 1.00 0.00 H new ATOM 1754 N ALA A 108 -10.423 -9.919 7.397 1.00 0.00 N ATOM 1755 CA ALA A 108 -10.071 -11.318 7.545 1.00 0.00 C ATOM 1756 C ALA A 108 -10.789 -11.925 8.744 1.00 0.00 C ATOM 1757 O ALA A 108 -10.549 -13.077 9.103 1.00 0.00 O ATOM 1758 CB ALA A 108 -8.564 -11.476 7.685 1.00 0.00 C ATOM 0 H ALA A 108 -9.915 -9.292 8.021 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.390 -11.851 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.318 -12.532 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.072 -11.079 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.221 -10.930 8.564 1.00 0.00 H new ATOM 1764 N SER A 109 -11.663 -11.133 9.361 1.00 0.00 N ATOM 1765 CA SER A 109 -12.474 -11.602 10.476 1.00 0.00 C ATOM 1766 C SER A 109 -13.316 -12.796 10.045 1.00 0.00 C ATOM 1767 O SER A 109 -13.419 -13.792 10.758 1.00 0.00 O ATOM 1768 CB SER A 109 -13.383 -10.480 10.976 1.00 0.00 C ATOM 1769 OG SER A 109 -12.633 -9.336 11.346 1.00 0.00 O ATOM 0 H SER A 109 -11.826 -10.159 9.104 1.00 0.00 H new ATOM 0 HA SER A 109 -11.811 -11.908 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.097 -10.213 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.961 -10.831 11.831 1.00 0.00 H new ATOM 0 HG SER A 109 -12.332 -8.868 10.540 1.00 0.00 H new ATOM 1775 N LEU A 110 -13.911 -12.688 8.866 1.00 0.00 N ATOM 1776 CA LEU A 110 -14.673 -13.783 8.300 1.00 0.00 C ATOM 1777 C LEU A 110 -13.789 -14.580 7.357 1.00 0.00 C ATOM 1778 O LEU A 110 -13.628 -14.224 6.189 1.00 0.00 O ATOM 1779 CB LEU A 110 -15.907 -13.260 7.561 1.00 0.00 C ATOM 1780 CG LEU A 110 -16.911 -12.499 8.429 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -18.062 -11.984 7.579 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -17.430 -13.389 9.552 1.00 0.00 C ATOM 0 H LEU A 110 -13.879 -11.850 8.285 1.00 0.00 H new ATOM 0 HA LEU A 110 -15.014 -14.431 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -15.577 -12.605 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -16.418 -14.104 7.097 1.00 0.00 H new ATOM 0 HG LEU A 110 -16.404 -11.645 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -18.768 -11.445 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -17.676 -11.313 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -18.568 -12.825 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -18.143 -12.831 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -17.923 -14.263 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -16.596 -13.711 10.176 1.00 0.00 H new ATOM 1794 N GLU A 111 -13.182 -15.636 7.883 1.00 0.00 N ATOM 1795 CA GLU A 111 -12.297 -16.475 7.091 1.00 0.00 C ATOM 1796 C GLU A 111 -13.063 -17.162 5.963 1.00 0.00 C ATOM 1797 O GLU A 111 -12.528 -17.375 4.877 1.00 0.00 O ATOM 1798 CB GLU A 111 -11.553 -17.477 7.986 1.00 0.00 C ATOM 1799 CG GLU A 111 -12.322 -17.915 9.227 1.00 0.00 C ATOM 1800 CD GLU A 111 -13.366 -18.967 8.935 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -13.007 -20.157 8.874 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -14.552 -18.615 8.768 1.00 0.00 O ATOM 0 H GLU A 111 -13.287 -15.930 8.854 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.543 -15.842 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.310 -18.360 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.608 -17.032 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.620 -18.303 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.805 -17.046 9.674 1.00 0.00 H new ATOM 1809 N HIS A 112 -14.319 -17.488 6.214 1.00 0.00 N ATOM 1810 CA HIS A 112 -15.215 -17.896 5.147 1.00 0.00 C ATOM 1811 C HIS A 112 -15.881 -16.660 4.559 1.00 0.00 C ATOM 1812 O HIS A 112 -16.951 -16.253 5.003 1.00 0.00 O ATOM 1813 CB HIS A 112 -16.274 -18.880 5.649 1.00 0.00 C ATOM 1814 CG HIS A 112 -15.746 -20.252 5.925 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -15.253 -20.636 7.148 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -15.647 -21.341 5.127 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -14.875 -21.898 7.097 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -15.102 -22.352 5.879 1.00 0.00 N ATOM 0 H HIS A 112 -14.740 -17.478 7.143 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.634 -18.407 4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -16.721 -18.483 6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -17.070 -18.950 4.908 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -15.189 -20.036 7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.942 -21.403 4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -14.451 -22.464 7.913 1.00 0.00 H new ATOM 1827 N HIS A 113 -15.233 -16.061 3.569 1.00 0.00 N ATOM 1828 CA HIS A 113 -15.677 -14.781 3.018 1.00 0.00 C ATOM 1829 C HIS A 113 -16.979 -14.928 2.234 1.00 0.00 C ATOM 1830 O HIS A 113 -17.588 -13.936 1.835 1.00 0.00 O ATOM 1831 CB HIS A 113 -14.603 -14.177 2.109 1.00 0.00 C ATOM 1832 CG HIS A 113 -13.298 -13.907 2.797 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -12.984 -12.698 3.378 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -12.218 -14.700 2.979 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -11.767 -12.759 3.884 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -11.278 -13.966 3.655 1.00 0.00 N ATOM 0 H HIS A 113 -14.395 -16.440 3.128 1.00 0.00 H new ATOM 0 HA HIS A 113 -15.853 -14.114 3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -14.427 -14.854 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -14.980 -13.244 1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -12.115 -15.724 2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -11.256 -11.958 4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -10.354 -14.296 3.935 1.00 0.00 H new ATOM 1845 N HIS A 114 -17.395 -16.165 2.008 1.00 0.00 N ATOM 1846 CA HIS A 114 -18.638 -16.433 1.301 1.00 0.00 C ATOM 1847 C HIS A 114 -19.777 -16.647 2.296 1.00 0.00 C ATOM 1848 O HIS A 114 -20.905 -16.957 1.916 1.00 0.00 O ATOM 1849 CB HIS A 114 -18.475 -17.665 0.406 1.00 0.00 C ATOM 1850 CG HIS A 114 -19.389 -17.682 -0.782 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -18.989 -17.268 -2.033 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -20.677 -18.078 -0.916 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -19.988 -17.404 -2.881 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -21.025 -17.895 -2.232 1.00 0.00 N ATOM 0 H HIS A 114 -16.889 -17.000 2.304 1.00 0.00 H new ATOM 0 HA HIS A 114 -18.881 -15.574 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -17.443 -17.714 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -18.654 -18.560 1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -21.312 -18.466 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -19.962 -17.155 -3.932 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -21.936 -18.105 -2.640 1.00 0.00 H new ATOM 1863 N HIS A 115 -19.471 -16.491 3.576 1.00 0.00 N ATOM 1864 CA HIS A 115 -20.471 -16.628 4.627 1.00 0.00 C ATOM 1865 C HIS A 115 -20.497 -15.377 5.492 1.00 0.00 C ATOM 1866 O HIS A 115 -19.467 -14.942 6.004 1.00 0.00 O ATOM 1867 CB HIS A 115 -20.202 -17.871 5.486 1.00 0.00 C ATOM 1868 CG HIS A 115 -20.748 -19.137 4.894 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -21.502 -20.039 5.611 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -20.650 -19.646 3.645 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -21.843 -21.044 4.827 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -21.341 -20.832 3.627 1.00 0.00 N ATOM 0 H HIS A 115 -18.534 -16.269 3.913 1.00 0.00 H new ATOM 0 HA HIS A 115 -21.447 -16.751 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.127 -17.980 5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.640 -17.722 6.473 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.124 -19.201 2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.435 -21.898 5.120 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.448 -21.446 2.820 1.00 0.00 H new ATOM 1881 N HIS A 116 -21.676 -14.791 5.635 1.00 0.00 N ATOM 1882 CA HIS A 116 -21.827 -13.539 6.368 1.00 0.00 C ATOM 1883 C HIS A 116 -23.028 -13.610 7.301 1.00 0.00 C ATOM 1884 O HIS A 116 -23.843 -14.531 7.207 1.00 0.00 O ATOM 1885 CB HIS A 116 -22.006 -12.357 5.402 1.00 0.00 C ATOM 1886 CG HIS A 116 -20.868 -12.161 4.445 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -19.878 -11.224 4.630 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -20.574 -12.787 3.282 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -19.025 -11.281 3.624 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -19.424 -12.224 2.790 1.00 0.00 N ATOM 0 H HIS A 116 -22.546 -15.162 5.253 1.00 0.00 H new ATOM 0 HA HIS A 116 -20.921 -13.385 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -22.923 -12.505 4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -22.137 -11.445 5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.141 -13.584 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -18.149 -10.661 3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -18.955 -12.490 1.924 1.00 0.00 H new ATOM 1899 N HIS A 117 -23.119 -12.649 8.212 1.00 0.00 N ATOM 1900 CA HIS A 117 -24.282 -12.515 9.082 1.00 0.00 C ATOM 1901 C HIS A 117 -24.662 -11.046 9.218 1.00 0.00 C ATOM 1902 O HIS A 117 -24.200 -10.395 10.175 1.00 0.00 O ATOM 1903 CB HIS A 117 -24.018 -13.110 10.472 1.00 0.00 C ATOM 1904 CG HIS A 117 -23.990 -14.607 10.509 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -25.121 -15.377 10.646 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -22.954 -15.474 10.448 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -24.785 -16.651 10.668 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -23.473 -16.743 10.552 1.00 0.00 N ATOM 1909 OXT HIS A 117 -25.402 -10.537 8.355 1.00 0.00 O ATOM 0 H HIS A 117 -22.396 -11.946 8.368 1.00 0.00 H new ATOM 0 HA HIS A 117 -25.104 -13.068 8.627 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -23.065 -12.732 10.841 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -24.788 -12.756 11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.911 -15.217 10.338 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -25.469 -17.481 10.765 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -22.935 -17.610 10.541 1.00 0.00 H new TER 1918 HIS A 117