USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 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 -105:sc= 0.926 USER MOD Set 1.2: A 44 THR OG1 : rot 101:sc= 1.01 USER MOD Set 2.1: A 21 HIS : no HD1:sc= -2.8! K(o=-3.8!,f=-1.3) USER MOD Set 2.2: A 89 GLN : amide:sc= -0.958 X(o=-3.8,f=-3.7!) USER MOD Set 3.1: A 2 THR OG1 : rot -34:sc= 1.38 USER MOD Set 3.2: A 4 HIS : no HE2:sc= 0.0182 K(o=1.4,f=0.38) USER MOD Single : A 3 THR OG1 : rot -105:sc= 1.31 USER MOD Single : A 10 GLN : amide:sc= 0.697 K(o=0.7,f=-0.94) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 23 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=0.0061) USER MOD Single : A 26 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.075) USER MOD Single : A 30 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.115 K(o=0.12,f=-3.5!) USER MOD Single : A 35 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.73) USER MOD Single : A 37 THR OG1 : rot 78:sc= 0.8 USER MOD Single : A 38 GLN : amide:sc= -3.27! K(o=-3.3!,f=-1.5) USER MOD Single : A 42 MET CE :methyl -141:sc= 0 (180deg=-2.03) USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0617 (180deg=-0.45) USER MOD Single : A 52 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.57) USER MOD Single : A 59 MET CE :methyl 174:sc= -4.15! (180deg=-4.24!) USER MOD Single : A 60 HIS : no HD1:sc= -1.34 K(o=-1.3,f=0.33) USER MOD Single : A 65 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc=-0.00887 (180deg=-0.124) USER MOD Single : A 67 GLN : amide:sc= -0.475 K(o=-0.48,f=-3.3!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -142:sc= -0.453 USER MOD Single : A 81 MET CE :methyl 155:sc= -0.244 (180deg=-1.06) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 87 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-3.1!) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0413 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -16.433 1.098 5.900 1.00 0.00 N ATOM 21 CA THR A 2 -16.002 -0.267 6.128 1.00 0.00 C ATOM 22 C THR A 2 -14.482 -0.350 6.073 1.00 0.00 C ATOM 23 O THR A 2 -13.804 0.669 5.920 1.00 0.00 O ATOM 24 CB THR A 2 -16.600 -1.220 5.072 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.224 -0.798 3.749 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.117 -1.272 5.181 1.00 0.00 C ATOM 0 HA THR A 2 -16.354 -0.570 7.114 1.00 0.00 H new ATOM 0 HB THR A 2 -16.204 -2.218 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.166 0.180 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.513 -1.951 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.399 -1.628 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.527 -0.275 5.024 1.00 0.00 H new ATOM 34 N THR A 3 -13.946 -1.557 6.180 1.00 0.00 N ATOM 35 CA THR A 3 -12.514 -1.760 6.061 1.00 0.00 C ATOM 36 C THR A 3 -12.045 -1.366 4.665 1.00 0.00 C ATOM 37 O THR A 3 -10.943 -0.852 4.489 1.00 0.00 O ATOM 38 CB THR A 3 -12.140 -3.226 6.340 1.00 0.00 C ATOM 39 OG1 THR A 3 -12.637 -3.613 7.631 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.632 -3.421 6.275 1.00 0.00 C ATOM 0 H THR A 3 -14.482 -2.408 6.349 1.00 0.00 H new ATOM 0 HA THR A 3 -12.019 -1.131 6.801 1.00 0.00 H new ATOM 0 HB THR A 3 -12.595 -3.855 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.894 -3.654 8.269 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.391 -4.465 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.273 -3.150 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.151 -2.788 7.021 1.00 0.00 H new ATOM 48 N HIS A 4 -12.915 -1.581 3.682 1.00 0.00 N ATOM 49 CA HIS A 4 -12.612 -1.244 2.294 1.00 0.00 C ATOM 50 C HIS A 4 -12.282 0.239 2.174 1.00 0.00 C ATOM 51 O HIS A 4 -11.348 0.626 1.476 1.00 0.00 O ATOM 52 CB HIS A 4 -13.798 -1.566 1.382 1.00 0.00 C ATOM 53 CG HIS A 4 -14.300 -2.972 1.486 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.511 -3.289 2.057 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.770 -4.142 1.057 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.707 -4.591 1.972 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.669 -5.136 1.367 1.00 0.00 N ATOM 0 H HIS A 4 -13.839 -1.989 3.822 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.753 -1.840 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.615 -0.884 1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.508 -1.373 0.349 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -16.156 -2.622 2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.818 -4.271 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.573 -5.122 2.337 1.00 0.00 H new ATOM 66 N ASP A 5 -13.052 1.059 2.881 1.00 0.00 N ATOM 67 CA ASP A 5 -12.870 2.504 2.852 1.00 0.00 C ATOM 68 C ASP A 5 -11.559 2.887 3.522 1.00 0.00 C ATOM 69 O ASP A 5 -10.813 3.717 3.010 1.00 0.00 O ATOM 70 CB ASP A 5 -14.030 3.214 3.553 1.00 0.00 C ATOM 71 CG ASP A 5 -15.378 2.880 2.951 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.791 3.559 1.991 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.044 1.947 3.456 1.00 0.00 O ATOM 0 H ASP A 5 -13.812 0.744 3.484 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.846 2.818 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.032 2.941 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.873 4.291 3.503 1.00 0.00 H new ATOM 78 N ARG A 6 -11.282 2.267 4.665 1.00 0.00 N ATOM 79 CA ARG A 6 -10.046 2.526 5.397 1.00 0.00 C ATOM 80 C ARG A 6 -8.824 2.149 4.564 1.00 0.00 C ATOM 81 O ARG A 6 -7.829 2.873 4.550 1.00 0.00 O ATOM 82 CB ARG A 6 -10.040 1.768 6.726 1.00 0.00 C ATOM 83 CG ARG A 6 -10.960 2.372 7.776 1.00 0.00 C ATOM 84 CD ARG A 6 -10.922 1.581 9.072 1.00 0.00 C ATOM 85 NE ARG A 6 -11.644 2.250 10.156 1.00 0.00 N ATOM 86 CZ ARG A 6 -12.372 1.610 11.071 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.541 0.295 10.993 1.00 0.00 N ATOM 88 NH2 ARG A 6 -12.942 2.287 12.061 1.00 0.00 N ATOM 0 H ARG A 6 -11.896 1.582 5.105 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.997 3.595 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.336 0.735 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.023 1.745 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.665 3.403 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.981 2.399 7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.355 0.595 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.885 1.427 9.370 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.586 3.267 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.113 -0.230 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.099 -0.190 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.823 3.298 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.499 1.796 12.760 1.00 0.00 H new ATOM 102 N VAL A 7 -8.905 1.022 3.861 1.00 0.00 N ATOM 103 CA VAL A 7 -7.828 0.595 2.970 1.00 0.00 C ATOM 104 C VAL A 7 -7.612 1.632 1.866 1.00 0.00 C ATOM 105 O VAL A 7 -6.478 2.006 1.565 1.00 0.00 O ATOM 106 CB VAL A 7 -8.123 -0.788 2.341 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.059 -1.170 1.324 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.223 -1.856 3.420 1.00 0.00 C ATOM 0 H VAL A 7 -9.704 0.388 3.891 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.921 0.507 3.568 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.079 -0.719 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.295 -2.146 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.032 -0.426 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.086 -1.212 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.431 -2.821 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.281 -1.910 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.029 -1.603 4.109 1.00 0.00 H new ATOM 118 N ARG A 8 -8.713 2.107 1.296 1.00 0.00 N ATOM 119 CA ARG A 8 -8.672 3.132 0.257 1.00 0.00 C ATOM 120 C ARG A 8 -7.982 4.394 0.773 1.00 0.00 C ATOM 121 O ARG A 8 -7.113 4.965 0.106 1.00 0.00 O ATOM 122 CB ARG A 8 -10.096 3.463 -0.202 1.00 0.00 C ATOM 123 CG ARG A 8 -10.166 4.519 -1.291 1.00 0.00 C ATOM 124 CD ARG A 8 -11.608 4.859 -1.629 1.00 0.00 C ATOM 125 NE ARG A 8 -11.710 5.854 -2.695 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.864 6.338 -3.154 1.00 0.00 C ATOM 127 NH1 ARG A 8 -14.018 5.946 -2.629 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.862 7.229 -4.137 1.00 0.00 N ATOM 0 H ARG A 8 -9.654 1.796 1.538 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.101 2.749 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.571 2.551 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.673 3.804 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.644 5.418 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.655 4.160 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.131 3.952 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.109 5.234 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.846 6.199 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.027 5.268 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.896 6.323 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.979 7.542 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.744 7.601 -4.490 1.00 0.00 H new ATOM 142 N LEU A 9 -8.365 4.812 1.970 1.00 0.00 N ATOM 143 CA LEU A 9 -7.806 6.008 2.582 1.00 0.00 C ATOM 144 C LEU A 9 -6.322 5.825 2.882 1.00 0.00 C ATOM 145 O LEU A 9 -5.539 6.767 2.769 1.00 0.00 O ATOM 146 CB LEU A 9 -8.565 6.353 3.866 1.00 0.00 C ATOM 147 CG LEU A 9 -10.063 6.620 3.680 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.719 6.947 5.011 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.289 7.745 2.680 1.00 0.00 C ATOM 0 H LEU A 9 -9.065 4.337 2.540 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.913 6.831 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.442 5.534 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.107 7.234 4.316 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.524 5.715 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.782 7.133 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.593 6.107 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.253 7.835 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.359 7.918 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.812 8.655 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.859 7.468 1.718 1.00 0.00 H new ATOM 161 N GLN A 10 -5.933 4.610 3.247 1.00 0.00 N ATOM 162 CA GLN A 10 -4.534 4.323 3.531 1.00 0.00 C ATOM 163 C GLN A 10 -3.714 4.340 2.246 1.00 0.00 C ATOM 164 O GLN A 10 -2.537 4.706 2.253 1.00 0.00 O ATOM 165 CB GLN A 10 -4.377 2.979 4.245 1.00 0.00 C ATOM 166 CG GLN A 10 -2.952 2.710 4.703 1.00 0.00 C ATOM 167 CD GLN A 10 -2.407 3.825 5.574 1.00 0.00 C ATOM 168 OE1 GLN A 10 -3.150 4.474 6.312 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.110 4.062 5.487 1.00 0.00 N ATOM 0 H GLN A 10 -6.561 3.814 3.353 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.161 5.103 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.041 2.954 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.694 2.179 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.922 1.772 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.310 2.586 3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.530 3.501 4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.689 4.806 6.044 1.00 0.00 H new ATOM 178 N LEU A 11 -4.340 3.954 1.139 1.00 0.00 N ATOM 179 CA LEU A 11 -3.699 4.055 -0.165 1.00 0.00 C ATOM 180 C LEU A 11 -3.383 5.513 -0.469 1.00 0.00 C ATOM 181 O LEU A 11 -2.361 5.828 -1.080 1.00 0.00 O ATOM 182 CB LEU A 11 -4.595 3.479 -1.263 1.00 0.00 C ATOM 183 CG LEU A 11 -4.907 1.987 -1.142 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.867 1.558 -2.239 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.627 1.165 -1.204 1.00 0.00 C ATOM 0 H LEU A 11 -5.285 3.571 1.119 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.775 3.477 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.535 4.030 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.118 3.656 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.381 1.811 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.080 0.494 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.795 2.123 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.416 1.749 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.870 0.106 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.125 1.344 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.968 1.455 -0.385 1.00 0.00 H new ATOM 197 N GLN A 12 -4.269 6.400 -0.033 1.00 0.00 N ATOM 198 CA GLN A 12 -4.061 7.834 -0.190 1.00 0.00 C ATOM 199 C GLN A 12 -2.957 8.318 0.746 1.00 0.00 C ATOM 200 O GLN A 12 -2.207 9.235 0.416 1.00 0.00 O ATOM 201 CB GLN A 12 -5.352 8.605 0.093 1.00 0.00 C ATOM 202 CG GLN A 12 -6.537 8.152 -0.742 1.00 0.00 C ATOM 203 CD GLN A 12 -7.769 9.004 -0.510 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.959 9.570 0.569 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.619 9.098 -1.518 1.00 0.00 N ATOM 0 H GLN A 12 -5.141 6.150 0.433 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.761 8.019 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.603 8.499 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.177 9.666 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.268 8.187 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.768 7.113 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.426 8.614 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.468 9.654 -1.419 1.00 0.00 H new ATOM 214 N ALA A 13 -2.861 7.696 1.919 1.00 0.00 N ATOM 215 CA ALA A 13 -1.826 8.044 2.889 1.00 0.00 C ATOM 216 C ALA A 13 -0.447 7.713 2.337 1.00 0.00 C ATOM 217 O ALA A 13 0.462 8.543 2.374 1.00 0.00 O ATOM 218 CB ALA A 13 -2.055 7.321 4.211 1.00 0.00 C ATOM 0 H ALA A 13 -3.487 6.949 2.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.881 9.117 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.271 7.596 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.026 7.605 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.032 6.244 4.045 1.00 0.00 H new ATOM 224 N LEU A 14 -0.303 6.501 1.813 1.00 0.00 N ATOM 225 CA LEU A 14 0.942 6.083 1.185 1.00 0.00 C ATOM 226 C LEU A 14 1.254 6.989 -0.004 1.00 0.00 C ATOM 227 O LEU A 14 2.391 7.417 -0.195 1.00 0.00 O ATOM 228 CB LEU A 14 0.839 4.624 0.730 1.00 0.00 C ATOM 229 CG LEU A 14 2.101 4.049 0.080 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.256 4.030 1.072 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.830 2.650 -0.457 1.00 0.00 C ATOM 0 H LEU A 14 -1.035 5.791 1.811 1.00 0.00 H new ATOM 0 HA LEU A 14 1.751 6.164 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.583 4.009 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.015 4.539 0.022 1.00 0.00 H new ATOM 0 HG LEU A 14 2.382 4.691 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.143 3.618 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.464 5.046 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.989 3.412 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.736 2.255 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.524 1.999 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.035 2.694 -1.202 1.00 0.00 H new ATOM 243 N GLU A 15 0.219 7.289 -0.780 1.00 0.00 N ATOM 244 CA GLU A 15 0.331 8.176 -1.933 1.00 0.00 C ATOM 245 C GLU A 15 0.858 9.549 -1.514 1.00 0.00 C ATOM 246 O GLU A 15 1.781 10.090 -2.128 1.00 0.00 O ATOM 247 CB GLU A 15 -1.041 8.321 -2.589 1.00 0.00 C ATOM 248 CG GLU A 15 -1.037 9.108 -3.884 1.00 0.00 C ATOM 249 CD GLU A 15 -2.438 9.405 -4.374 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.146 8.462 -4.787 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.841 10.585 -4.342 1.00 0.00 O ATOM 0 H GLU A 15 -0.721 6.925 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 15 1.036 7.745 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.444 7.327 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.717 8.807 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.499 10.044 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.498 8.547 -4.647 1.00 0.00 H new ATOM 258 N ALA A 16 0.270 10.098 -0.459 1.00 0.00 N ATOM 259 CA ALA A 16 0.667 11.404 0.054 1.00 0.00 C ATOM 260 C ALA A 16 2.095 11.371 0.593 1.00 0.00 C ATOM 261 O ALA A 16 2.853 12.325 0.415 1.00 0.00 O ATOM 262 CB ALA A 16 -0.297 11.866 1.134 1.00 0.00 C ATOM 0 H ALA A 16 -0.488 9.656 0.061 1.00 0.00 H new ATOM 0 HA ALA A 16 0.634 12.115 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.014 12.842 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.302 11.939 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.296 11.148 1.954 1.00 0.00 H new ATOM 268 N LEU A 17 2.458 10.269 1.243 1.00 0.00 N ATOM 269 CA LEU A 17 3.813 10.097 1.757 1.00 0.00 C ATOM 270 C LEU A 17 4.813 10.085 0.605 1.00 0.00 C ATOM 271 O LEU A 17 5.879 10.705 0.683 1.00 0.00 O ATOM 272 CB LEU A 17 3.927 8.790 2.544 1.00 0.00 C ATOM 273 CG LEU A 17 5.278 8.566 3.225 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.186 8.860 4.715 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.772 7.152 2.977 1.00 0.00 C ATOM 0 H LEU A 17 1.834 9.483 1.426 1.00 0.00 H new ATOM 0 HA LEU A 17 4.036 10.932 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.146 8.771 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.735 7.957 1.868 1.00 0.00 H new ATOM 0 HG LEU A 17 6.001 9.257 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.158 8.694 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.885 9.897 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.449 8.200 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.734 7.011 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.052 6.439 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.885 6.989 1.905 1.00 0.00 H new ATOM 287 N LEU A 18 4.458 9.378 -0.462 1.00 0.00 N ATOM 288 CA LEU A 18 5.297 9.306 -1.650 1.00 0.00 C ATOM 289 C LEU A 18 5.480 10.691 -2.254 1.00 0.00 C ATOM 290 O LEU A 18 6.569 11.033 -2.715 1.00 0.00 O ATOM 291 CB LEU A 18 4.692 8.353 -2.686 1.00 0.00 C ATOM 292 CG LEU A 18 4.611 6.887 -2.253 1.00 0.00 C ATOM 293 CD1 LEU A 18 3.960 6.043 -3.338 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.995 6.349 -1.925 1.00 0.00 C ATOM 0 H LEU A 18 3.591 8.845 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 18 6.272 8.919 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.688 8.699 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.282 8.413 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 18 3.996 6.831 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.912 5.004 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.952 6.411 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.549 6.108 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.917 5.306 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.632 6.422 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.430 6.933 -1.114 1.00 0.00 H new ATOM 306 N ARG A 19 4.413 11.485 -2.239 1.00 0.00 N ATOM 307 CA ARG A 19 4.471 12.860 -2.719 1.00 0.00 C ATOM 308 C ARG A 19 5.466 13.676 -1.896 1.00 0.00 C ATOM 309 O ARG A 19 6.370 14.305 -2.447 1.00 0.00 O ATOM 310 CB ARG A 19 3.087 13.517 -2.649 1.00 0.00 C ATOM 311 CG ARG A 19 3.096 14.987 -3.042 1.00 0.00 C ATOM 312 CD ARG A 19 1.777 15.668 -2.710 1.00 0.00 C ATOM 313 NE ARG A 19 1.826 17.110 -2.965 1.00 0.00 N ATOM 314 CZ ARG A 19 2.237 18.012 -2.070 1.00 0.00 C ATOM 315 NH1 ARG A 19 2.585 17.635 -0.844 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.278 19.300 -2.388 1.00 0.00 N ATOM 0 H ARG A 19 3.496 11.197 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 19 4.802 12.838 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.403 12.977 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.699 13.422 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.909 15.497 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.293 15.077 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.979 15.222 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.532 15.493 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 19 1.528 17.445 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.539 16.651 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.898 18.330 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.995 19.605 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.593 19.985 -1.701 1.00 0.00 H new ATOM 330 N GLU A 20 5.298 13.644 -0.576 1.00 0.00 N ATOM 331 CA GLU A 20 6.138 14.422 0.331 1.00 0.00 C ATOM 332 C GLU A 20 7.613 14.087 0.161 1.00 0.00 C ATOM 333 O GLU A 20 8.459 14.978 0.080 1.00 0.00 O ATOM 334 CB GLU A 20 5.743 14.167 1.786 1.00 0.00 C ATOM 335 CG GLU A 20 4.316 14.551 2.116 1.00 0.00 C ATOM 336 CD GLU A 20 4.039 14.495 3.600 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.752 13.399 4.121 1.00 0.00 O ATOM 338 OE2 GLU A 20 4.130 15.550 4.262 1.00 0.00 O ATOM 0 H GLU A 20 4.584 13.085 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 20 5.983 15.472 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.884 13.110 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.417 14.723 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.118 15.558 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.632 13.882 1.595 1.00 0.00 H new ATOM 345 N HIS A 21 7.921 12.800 0.105 1.00 0.00 N ATOM 346 CA HIS A 21 9.309 12.362 0.058 1.00 0.00 C ATOM 347 C HIS A 21 9.774 12.167 -1.384 1.00 0.00 C ATOM 348 O HIS A 21 10.804 11.545 -1.635 1.00 0.00 O ATOM 349 CB HIS A 21 9.488 11.089 0.891 1.00 0.00 C ATOM 350 CG HIS A 21 9.073 11.279 2.323 1.00 0.00 C ATOM 351 ND1 HIS A 21 9.818 11.988 3.238 1.00 0.00 N ATOM 352 CD2 HIS A 21 7.951 10.897 2.977 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.172 12.035 4.389 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.033 11.383 4.259 1.00 0.00 N ATOM 0 H HIS A 21 7.235 12.045 0.091 1.00 0.00 H new ATOM 0 HA HIS A 21 9.937 13.139 0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.901 10.283 0.449 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.532 10.779 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.139 10.316 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.519 12.525 5.287 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.331 11.260 4.988 1.00 0.00 H new ATOM 363 N GLN A 22 8.993 12.710 -2.318 1.00 0.00 N ATOM 364 CA GLN A 22 9.374 12.801 -3.731 1.00 0.00 C ATOM 365 C GLN A 22 9.687 11.440 -4.352 1.00 0.00 C ATOM 366 O GLN A 22 10.656 11.292 -5.099 1.00 0.00 O ATOM 367 CB GLN A 22 10.573 13.735 -3.887 1.00 0.00 C ATOM 368 CG GLN A 22 10.341 15.113 -3.299 1.00 0.00 C ATOM 369 CD GLN A 22 11.515 16.040 -3.515 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.663 15.602 -3.603 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.237 17.327 -3.586 1.00 0.00 N ATOM 0 H GLN A 22 8.073 13.102 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 22 8.514 13.203 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.441 13.284 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.811 13.835 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.449 15.551 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.147 15.021 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.271 17.645 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.988 18.004 -3.719 1.00 0.00 H new ATOM 380 N HIS A 23 8.855 10.458 -4.056 1.00 0.00 N ATOM 381 CA HIS A 23 8.942 9.165 -4.718 1.00 0.00 C ATOM 382 C HIS A 23 7.713 8.959 -5.588 1.00 0.00 C ATOM 383 O HIS A 23 7.536 7.911 -6.207 1.00 0.00 O ATOM 384 CB HIS A 23 9.076 8.022 -3.706 1.00 0.00 C ATOM 385 CG HIS A 23 10.448 7.902 -3.120 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.412 7.061 -3.631 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.015 8.518 -2.058 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.512 7.168 -2.909 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.298 8.048 -1.947 1.00 0.00 N ATOM 0 H HIS A 23 8.111 10.529 -3.362 1.00 0.00 H new ATOM 0 HA HIS A 23 9.837 9.157 -5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.357 8.174 -2.901 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.814 7.083 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.544 9.247 -1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.432 6.627 -3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.975 8.331 -1.239 1.00 0.00 H new ATOM 398 N TRP A 24 6.876 9.983 -5.640 1.00 0.00 N ATOM 399 CA TRP A 24 5.654 9.928 -6.415 1.00 0.00 C ATOM 400 C TRP A 24 5.869 10.556 -7.786 1.00 0.00 C ATOM 401 O TRP A 24 5.676 11.757 -7.973 1.00 0.00 O ATOM 402 CB TRP A 24 4.523 10.640 -5.670 1.00 0.00 C ATOM 403 CG TRP A 24 3.172 10.448 -6.290 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.332 11.427 -6.740 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.504 9.202 -6.533 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.181 10.867 -7.241 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.263 9.504 -7.129 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.833 7.865 -6.306 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.354 8.515 -7.499 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.931 6.884 -6.675 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.704 7.212 -7.266 1.00 0.00 C ATOM 0 H TRP A 24 7.025 10.865 -5.151 1.00 0.00 H new ATOM 0 HA TRP A 24 5.374 8.884 -6.554 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.495 10.279 -4.642 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.744 11.706 -5.627 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.542 12.486 -6.707 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.393 11.383 -7.633 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.776 7.601 -5.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.593 8.767 -7.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.177 5.846 -6.504 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.021 6.422 -7.543 1.00 0.00 H new ATOM 422 N ARG A 25 6.326 9.751 -8.727 1.00 0.00 N ATOM 423 CA ARG A 25 6.480 10.200 -10.102 1.00 0.00 C ATOM 424 C ARG A 25 5.235 9.867 -10.900 1.00 0.00 C ATOM 425 O ARG A 25 4.761 8.735 -10.862 1.00 0.00 O ATOM 426 CB ARG A 25 7.693 9.546 -10.764 1.00 0.00 C ATOM 427 CG ARG A 25 9.025 10.143 -10.352 1.00 0.00 C ATOM 428 CD ARG A 25 10.171 9.496 -11.112 1.00 0.00 C ATOM 429 NE ARG A 25 9.975 9.554 -12.564 1.00 0.00 N ATOM 430 CZ ARG A 25 10.662 8.812 -13.440 1.00 0.00 C ATOM 431 NH1 ARG A 25 11.578 7.952 -13.010 1.00 0.00 N ATOM 432 NH2 ARG A 25 10.419 8.917 -14.742 1.00 0.00 N ATOM 0 H ARG A 25 6.598 8.781 -8.566 1.00 0.00 H new ATOM 0 HA ARG A 25 6.631 11.279 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.694 8.483 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.590 9.628 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.020 11.217 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.172 10.008 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.104 9.996 -10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.269 8.456 -10.802 1.00 0.00 H new ATOM 0 HE ARG A 25 9.273 10.198 -12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.759 7.856 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.101 7.387 -13.679 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.706 9.565 -15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.945 8.349 -15.406 1.00 0.00 H new ATOM 446 N ASN A 26 4.708 10.844 -11.618 1.00 0.00 N ATOM 447 CA ASN A 26 3.553 10.609 -12.472 1.00 0.00 C ATOM 448 C ASN A 26 4.037 10.129 -13.832 1.00 0.00 C ATOM 449 O ASN A 26 4.074 10.890 -14.798 1.00 0.00 O ATOM 450 CB ASN A 26 2.714 11.883 -12.624 1.00 0.00 C ATOM 451 CG ASN A 26 1.319 11.610 -13.165 1.00 0.00 C ATOM 452 OD1 ASN A 26 0.374 11.420 -12.400 1.00 0.00 O ATOM 453 ND2 ASN A 26 1.179 11.580 -14.482 1.00 0.00 N ATOM 0 H ASN A 26 5.058 11.802 -11.628 1.00 0.00 H new ATOM 0 HA ASN A 26 2.919 9.849 -12.016 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.633 12.377 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.229 12.574 -13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.264 11.395 -14.894 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.986 11.742 -15.084 1.00 0.00 H new ATOM 460 N ASP A 27 4.450 8.874 -13.889 1.00 0.00 N ATOM 461 CA ASP A 27 5.071 8.329 -15.085 1.00 0.00 C ATOM 462 C ASP A 27 4.469 6.968 -15.405 1.00 0.00 C ATOM 463 O ASP A 27 3.756 6.391 -14.582 1.00 0.00 O ATOM 464 CB ASP A 27 6.585 8.207 -14.870 1.00 0.00 C ATOM 465 CG ASP A 27 7.377 8.335 -16.156 1.00 0.00 C ATOM 466 OD1 ASP A 27 7.330 7.411 -16.990 1.00 0.00 O ATOM 467 OD2 ASP A 27 8.065 9.366 -16.336 1.00 0.00 O ATOM 0 H ASP A 27 4.366 8.211 -13.118 1.00 0.00 H new ATOM 0 HA ASP A 27 4.888 8.998 -15.926 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.911 8.977 -14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.805 7.244 -14.409 1.00 0.00 H new ATOM 472 N GLU A 28 4.760 6.452 -16.588 1.00 0.00 N ATOM 473 CA GLU A 28 4.183 5.190 -17.027 1.00 0.00 C ATOM 474 C GLU A 28 5.263 4.119 -17.145 1.00 0.00 C ATOM 475 O GLU A 28 6.115 4.182 -18.038 1.00 0.00 O ATOM 476 CB GLU A 28 3.456 5.351 -18.370 1.00 0.00 C ATOM 477 CG GLU A 28 2.328 6.377 -18.364 1.00 0.00 C ATOM 478 CD GLU A 28 2.818 7.806 -18.510 1.00 0.00 C ATOM 479 OE1 GLU A 28 3.386 8.137 -19.575 1.00 0.00 O ATOM 480 OE2 GLU A 28 2.636 8.609 -17.573 1.00 0.00 O ATOM 0 H GLU A 28 5.391 6.886 -17.261 1.00 0.00 H new ATOM 0 HA GLU A 28 3.456 4.879 -16.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.184 5.635 -19.130 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.048 4.384 -18.665 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.637 6.152 -19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.767 6.285 -17.434 1.00 0.00 H new ATOM 487 N PRO A 29 5.245 3.126 -16.241 1.00 0.00 N ATOM 488 CA PRO A 29 6.220 2.026 -16.231 1.00 0.00 C ATOM 489 C PRO A 29 6.143 1.159 -17.489 1.00 0.00 C ATOM 490 O PRO A 29 5.248 1.323 -18.323 1.00 0.00 O ATOM 491 CB PRO A 29 5.838 1.204 -14.993 1.00 0.00 C ATOM 492 CG PRO A 29 4.995 2.114 -14.166 1.00 0.00 C ATOM 493 CD PRO A 29 4.278 3.004 -15.139 1.00 0.00 C ATOM 0 HA PRO A 29 7.243 2.402 -16.207 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.290 0.304 -15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.724 0.881 -14.446 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.288 1.548 -13.559 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.608 2.698 -13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.338 2.565 -15.472 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.039 3.973 -14.701 1.00 0.00 H new ATOM 501 N GLN A 30 7.080 0.227 -17.615 1.00 0.00 N ATOM 502 CA GLN A 30 7.183 -0.594 -18.815 1.00 0.00 C ATOM 503 C GLN A 30 6.297 -1.834 -18.714 1.00 0.00 C ATOM 504 O GLN A 30 6.210 -2.460 -17.658 1.00 0.00 O ATOM 505 CB GLN A 30 8.635 -1.010 -19.054 1.00 0.00 C ATOM 506 CG GLN A 30 9.584 0.164 -19.236 1.00 0.00 C ATOM 507 CD GLN A 30 11.015 -0.274 -19.494 1.00 0.00 C ATOM 508 OE1 GLN A 30 11.966 0.418 -19.125 1.00 0.00 O ATOM 509 NE2 GLN A 30 11.176 -1.419 -20.137 1.00 0.00 N ATOM 0 H GLN A 30 7.779 0.021 -16.901 1.00 0.00 H new ATOM 0 HA GLN A 30 6.839 0.005 -19.658 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.974 -1.613 -18.212 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.681 -1.644 -19.939 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.241 0.778 -20.069 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.555 0.791 -18.345 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.361 -1.961 -20.425 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.115 -1.760 -20.345 1.00 0.00 H new ATOM 518 N PRO A 31 5.641 -2.206 -19.824 1.00 0.00 N ATOM 519 CA PRO A 31 4.730 -3.359 -19.869 1.00 0.00 C ATOM 520 C PRO A 31 5.419 -4.679 -19.529 1.00 0.00 C ATOM 521 O PRO A 31 4.809 -5.566 -18.935 1.00 0.00 O ATOM 522 CB PRO A 31 4.234 -3.379 -21.319 1.00 0.00 C ATOM 523 CG PRO A 31 5.217 -2.561 -22.084 1.00 0.00 C ATOM 524 CD PRO A 31 5.722 -1.523 -21.126 1.00 0.00 C ATOM 0 HA PRO A 31 3.934 -3.260 -19.131 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.186 -4.398 -21.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.230 -2.961 -21.397 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.034 -3.179 -22.456 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.748 -2.097 -22.951 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.743 -1.220 -21.360 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.109 -0.622 -21.148 1.00 0.00 H new ATOM 532 N HIS A 32 6.693 -4.800 -19.894 1.00 0.00 N ATOM 533 CA HIS A 32 7.451 -6.027 -19.646 1.00 0.00 C ATOM 534 C HIS A 32 7.621 -6.260 -18.148 1.00 0.00 C ATOM 535 O HIS A 32 7.757 -7.396 -17.696 1.00 0.00 O ATOM 536 CB HIS A 32 8.818 -5.956 -20.332 1.00 0.00 C ATOM 537 CG HIS A 32 9.560 -7.258 -20.340 1.00 0.00 C ATOM 538 ND1 HIS A 32 9.244 -8.293 -21.191 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.611 -7.689 -19.603 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.066 -9.300 -20.979 1.00 0.00 C ATOM 541 NE2 HIS A 32 10.906 -8.962 -20.021 1.00 0.00 N ATOM 0 H HIS A 32 7.223 -4.065 -20.362 1.00 0.00 H new ATOM 0 HA HIS A 32 6.894 -6.866 -20.064 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.681 -5.620 -21.360 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.427 -5.205 -19.830 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.122 -7.134 -18.830 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.054 -10.245 -21.502 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.653 -9.550 -19.651 1.00 0.00 H new ATOM 550 N GLN A 33 7.589 -5.177 -17.387 1.00 0.00 N ATOM 551 CA GLN A 33 7.723 -5.247 -15.940 1.00 0.00 C ATOM 552 C GLN A 33 6.469 -5.859 -15.328 1.00 0.00 C ATOM 553 O GLN A 33 6.539 -6.621 -14.366 1.00 0.00 O ATOM 554 CB GLN A 33 7.981 -3.850 -15.378 1.00 0.00 C ATOM 555 CG GLN A 33 9.215 -3.196 -15.974 1.00 0.00 C ATOM 556 CD GLN A 33 9.374 -1.741 -15.579 1.00 0.00 C ATOM 557 OE1 GLN A 33 8.393 -1.035 -15.338 1.00 0.00 O ATOM 558 NE2 GLN A 33 10.612 -1.274 -15.534 1.00 0.00 N ATOM 0 H GLN A 33 7.470 -4.232 -17.751 1.00 0.00 H new ATOM 0 HA GLN A 33 8.570 -5.884 -15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.113 -3.220 -15.570 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.096 -3.914 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.099 -3.750 -15.658 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.166 -3.267 -17.061 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.398 -1.891 -15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.780 -0.297 -15.293 1.00 0.00 H new ATOM 567 N PHE A 34 5.320 -5.545 -15.917 1.00 0.00 N ATOM 568 CA PHE A 34 4.050 -6.098 -15.459 1.00 0.00 C ATOM 569 C PHE A 34 3.886 -7.526 -15.967 1.00 0.00 C ATOM 570 O PHE A 34 3.242 -8.359 -15.326 1.00 0.00 O ATOM 571 CB PHE A 34 2.878 -5.246 -15.952 1.00 0.00 C ATOM 572 CG PHE A 34 2.993 -3.789 -15.604 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.034 -3.378 -14.283 1.00 0.00 C ATOM 574 CD2 PHE A 34 3.051 -2.834 -16.603 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.132 -2.037 -13.964 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.150 -1.491 -16.291 1.00 0.00 C ATOM 577 CZ PHE A 34 3.189 -1.093 -14.970 1.00 0.00 C ATOM 0 H PHE A 34 5.242 -4.911 -16.712 1.00 0.00 H new ATOM 0 HA PHE A 34 4.053 -6.097 -14.369 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.800 -5.345 -17.035 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.953 -5.638 -15.528 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.989 -4.113 -13.493 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.019 -3.141 -17.638 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.164 -1.728 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.197 -0.754 -17.079 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.264 -0.044 -14.723 1.00 0.00 H new ATOM 587 N ASN A 35 4.493 -7.795 -17.118 1.00 0.00 N ATOM 588 CA ASN A 35 4.390 -9.093 -17.784 1.00 0.00 C ATOM 589 C ASN A 35 5.136 -10.176 -17.010 1.00 0.00 C ATOM 590 O ASN A 35 5.002 -11.363 -17.306 1.00 0.00 O ATOM 591 CB ASN A 35 4.927 -8.982 -19.219 1.00 0.00 C ATOM 592 CG ASN A 35 4.748 -10.251 -20.034 1.00 0.00 C ATOM 593 OD1 ASN A 35 3.806 -11.017 -19.828 1.00 0.00 O ATOM 594 ND2 ASN A 35 5.649 -10.473 -20.977 1.00 0.00 N ATOM 0 H ASN A 35 5.072 -7.120 -17.618 1.00 0.00 H new ATOM 0 HA ASN A 35 3.340 -9.382 -17.817 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.420 -8.160 -19.725 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.987 -8.729 -19.183 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.578 -11.303 -21.565 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.415 -9.814 -21.116 1.00 0.00 H new ATOM 601 N SER A 36 5.908 -9.775 -16.009 1.00 0.00 N ATOM 602 CA SER A 36 6.529 -10.740 -15.114 1.00 0.00 C ATOM 603 C SER A 36 5.439 -11.577 -14.449 1.00 0.00 C ATOM 604 O SER A 36 5.611 -12.773 -14.212 1.00 0.00 O ATOM 605 CB SER A 36 7.377 -10.023 -14.063 1.00 0.00 C ATOM 606 OG SER A 36 6.604 -9.094 -13.330 1.00 0.00 O ATOM 0 H SER A 36 6.117 -8.799 -15.798 1.00 0.00 H new ATOM 0 HA SER A 36 7.187 -11.396 -15.684 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.813 -10.755 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.205 -9.507 -14.550 1.00 0.00 H new ATOM 0 HG SER A 36 6.820 -8.184 -13.624 1.00 0.00 H new ATOM 612 N THR A 37 4.307 -10.924 -14.176 1.00 0.00 N ATOM 613 CA THR A 37 3.109 -11.590 -13.683 1.00 0.00 C ATOM 614 C THR A 37 3.367 -12.286 -12.335 1.00 0.00 C ATOM 615 O THR A 37 2.763 -13.308 -12.002 1.00 0.00 O ATOM 616 CB THR A 37 2.588 -12.589 -14.743 1.00 0.00 C ATOM 617 OG1 THR A 37 2.552 -11.954 -16.031 1.00 0.00 O ATOM 618 CG2 THR A 37 1.190 -13.089 -14.403 1.00 0.00 C ATOM 0 H THR A 37 4.200 -9.916 -14.292 1.00 0.00 H new ATOM 0 HA THR A 37 2.341 -10.836 -13.509 1.00 0.00 H new ATOM 0 HB THR A 37 3.268 -13.441 -14.756 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.457 -11.924 -16.406 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.857 -13.789 -15.170 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.209 -13.592 -13.436 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.502 -12.245 -14.359 1.00 0.00 H new ATOM 626 N GLN A 38 4.261 -11.711 -11.545 1.00 0.00 N ATOM 627 CA GLN A 38 4.506 -12.204 -10.198 1.00 0.00 C ATOM 628 C GLN A 38 3.989 -11.185 -9.185 1.00 0.00 C ATOM 629 O GLN A 38 3.920 -9.998 -9.495 1.00 0.00 O ATOM 630 CB GLN A 38 5.998 -12.496 -9.987 1.00 0.00 C ATOM 631 CG GLN A 38 6.569 -13.456 -11.019 1.00 0.00 C ATOM 632 CD GLN A 38 7.872 -14.105 -10.587 1.00 0.00 C ATOM 633 OE1 GLN A 38 8.194 -15.216 -11.005 1.00 0.00 O ATOM 634 NE2 GLN A 38 8.624 -13.432 -9.733 1.00 0.00 N ATOM 0 H GLN A 38 4.827 -10.906 -11.812 1.00 0.00 H new ATOM 0 HA GLN A 38 3.971 -13.143 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.554 -11.559 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.143 -12.914 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.835 -14.235 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.732 -12.918 -11.953 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.327 -12.512 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.501 -13.832 -9.401 1.00 0.00 H new ATOM 643 N PRO A 39 3.629 -11.631 -7.965 1.00 0.00 N ATOM 644 CA PRO A 39 2.944 -10.791 -6.964 1.00 0.00 C ATOM 645 C PRO A 39 3.610 -9.439 -6.735 1.00 0.00 C ATOM 646 O PRO A 39 2.932 -8.426 -6.589 1.00 0.00 O ATOM 647 CB PRO A 39 3.010 -11.634 -5.691 1.00 0.00 C ATOM 648 CG PRO A 39 3.070 -13.038 -6.178 1.00 0.00 C ATOM 649 CD PRO A 39 3.858 -12.998 -7.458 1.00 0.00 C ATOM 0 HA PRO A 39 1.934 -10.541 -7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.887 -11.383 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.137 -11.470 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.550 -13.686 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.069 -13.435 -6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.917 -13.188 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.512 -13.751 -8.166 1.00 0.00 H new ATOM 657 N PHE A 40 4.933 -9.438 -6.697 1.00 0.00 N ATOM 658 CA PHE A 40 5.698 -8.212 -6.491 1.00 0.00 C ATOM 659 C PHE A 40 6.609 -7.947 -7.684 1.00 0.00 C ATOM 660 O PHE A 40 7.589 -7.223 -7.568 1.00 0.00 O ATOM 661 CB PHE A 40 6.537 -8.313 -5.213 1.00 0.00 C ATOM 662 CG PHE A 40 5.729 -8.428 -3.948 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.288 -9.662 -3.497 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.420 -7.300 -3.204 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.554 -9.770 -2.332 1.00 0.00 C ATOM 666 CE2 PHE A 40 4.685 -7.402 -2.038 1.00 0.00 C ATOM 667 CZ PHE A 40 4.252 -8.640 -1.602 1.00 0.00 C ATOM 0 H PHE A 40 5.505 -10.276 -6.806 1.00 0.00 H new ATOM 0 HA PHE A 40 4.996 -7.385 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.193 -9.180 -5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.177 -7.434 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.521 -10.551 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.757 -6.330 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.217 -10.739 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.449 -6.515 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.678 -8.722 -0.691 1.00 0.00 H new ATOM 677 N PHE A 41 6.270 -8.550 -8.828 1.00 0.00 N ATOM 678 CA PHE A 41 7.068 -8.428 -10.056 1.00 0.00 C ATOM 679 C PHE A 41 8.520 -8.837 -9.825 1.00 0.00 C ATOM 680 O PHE A 41 9.419 -8.358 -10.503 1.00 0.00 O ATOM 681 CB PHE A 41 7.010 -6.997 -10.603 1.00 0.00 C ATOM 682 CG PHE A 41 5.623 -6.556 -10.978 1.00 0.00 C ATOM 683 CD1 PHE A 41 4.751 -7.429 -11.610 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.189 -5.275 -10.694 1.00 0.00 C ATOM 685 CE1 PHE A 41 3.474 -7.031 -11.951 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.911 -4.871 -11.032 1.00 0.00 C ATOM 687 CZ PHE A 41 3.054 -5.751 -11.662 1.00 0.00 C ATOM 0 H PHE A 41 5.440 -9.134 -8.931 1.00 0.00 H new ATOM 0 HA PHE A 41 6.636 -9.107 -10.791 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.410 -6.313 -9.854 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.655 -6.924 -11.478 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.075 -8.434 -11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.856 -4.582 -10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.805 -7.722 -12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.583 -3.868 -10.803 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.056 -5.437 -11.928 1.00 0.00 H new ATOM 697 N MET A 42 8.721 -9.776 -8.899 1.00 0.00 N ATOM 698 CA MET A 42 10.060 -10.215 -8.485 1.00 0.00 C ATOM 699 C MET A 42 10.953 -10.575 -9.674 1.00 0.00 C ATOM 700 O MET A 42 12.172 -10.423 -9.613 1.00 0.00 O ATOM 701 CB MET A 42 9.947 -11.433 -7.566 1.00 0.00 C ATOM 702 CG MET A 42 9.028 -11.227 -6.376 1.00 0.00 C ATOM 703 SD MET A 42 8.769 -12.749 -5.446 1.00 0.00 S ATOM 704 CE MET A 42 7.704 -12.168 -4.130 1.00 0.00 C ATOM 0 H MET A 42 7.962 -10.255 -8.414 1.00 0.00 H new ATOM 0 HA MET A 42 10.520 -9.377 -7.961 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.586 -12.281 -8.148 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.941 -11.695 -7.203 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.452 -10.469 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.067 -10.847 -6.722 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.982 -12.654 -3.195 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.813 -11.089 -4.024 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.668 -12.407 -4.369 1.00 0.00 H new ATOM 714 N ASP A 43 10.341 -11.049 -10.752 1.00 0.00 N ATOM 715 CA ASP A 43 11.087 -11.491 -11.924 1.00 0.00 C ATOM 716 C ASP A 43 11.772 -10.311 -12.612 1.00 0.00 C ATOM 717 O ASP A 43 12.888 -10.435 -13.120 1.00 0.00 O ATOM 718 CB ASP A 43 10.156 -12.210 -12.899 1.00 0.00 C ATOM 719 CG ASP A 43 10.900 -12.838 -14.058 1.00 0.00 C ATOM 720 OD1 ASP A 43 11.588 -13.858 -13.842 1.00 0.00 O ATOM 721 OD2 ASP A 43 10.786 -12.329 -15.186 1.00 0.00 O ATOM 0 H ASP A 43 9.329 -11.137 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 43 11.860 -12.186 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.604 -12.983 -12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.422 -11.502 -13.284 1.00 0.00 H new ATOM 726 N THR A 44 11.112 -9.161 -12.598 1.00 0.00 N ATOM 727 CA THR A 44 11.678 -7.943 -13.159 1.00 0.00 C ATOM 728 C THR A 44 12.126 -7.012 -12.037 1.00 0.00 C ATOM 729 O THR A 44 12.484 -5.860 -12.280 1.00 0.00 O ATOM 730 CB THR A 44 10.662 -7.217 -14.062 1.00 0.00 C ATOM 731 OG1 THR A 44 9.428 -7.027 -13.360 1.00 0.00 O ATOM 732 CG2 THR A 44 10.410 -8.006 -15.339 1.00 0.00 C ATOM 0 H THR A 44 10.179 -9.047 -12.202 1.00 0.00 H new ATOM 0 HA THR A 44 12.538 -8.222 -13.769 1.00 0.00 H new ATOM 0 HB THR A 44 11.079 -6.246 -14.331 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.373 -6.103 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.690 -7.473 -15.960 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.346 -8.121 -15.886 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.014 -8.990 -15.087 1.00 0.00 H new ATOM 740 N MET A 45 12.128 -7.564 -10.816 1.00 0.00 N ATOM 741 CA MET A 45 12.471 -6.853 -9.579 1.00 0.00 C ATOM 742 C MET A 45 11.269 -6.095 -9.021 1.00 0.00 C ATOM 743 O MET A 45 10.504 -6.653 -8.239 1.00 0.00 O ATOM 744 CB MET A 45 13.660 -5.901 -9.752 1.00 0.00 C ATOM 745 CG MET A 45 14.956 -6.590 -10.160 1.00 0.00 C ATOM 746 SD MET A 45 15.467 -7.878 -9.003 1.00 0.00 S ATOM 747 CE MET A 45 15.660 -6.924 -7.497 1.00 0.00 C ATOM 0 H MET A 45 11.885 -8.542 -10.658 1.00 0.00 H new ATOM 0 HA MET A 45 12.768 -7.620 -8.864 1.00 0.00 H new ATOM 0 HB2 MET A 45 13.406 -5.154 -10.504 1.00 0.00 H new ATOM 0 HB3 MET A 45 13.824 -5.368 -8.815 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.832 -7.028 -11.150 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.748 -5.845 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.219 -7.508 -6.766 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.200 -6.003 -7.716 1.00 0.00 H new ATOM 0 HE3 MET A 45 14.678 -6.681 -7.092 1.00 0.00 H new ATOM 757 N GLU A 46 11.122 -4.832 -9.434 1.00 0.00 N ATOM 758 CA GLU A 46 10.051 -3.939 -8.958 1.00 0.00 C ATOM 759 C GLU A 46 9.725 -4.106 -7.466 1.00 0.00 C ATOM 760 O GLU A 46 8.570 -4.325 -7.108 1.00 0.00 O ATOM 761 CB GLU A 46 8.781 -4.137 -9.792 1.00 0.00 C ATOM 762 CG GLU A 46 8.728 -3.283 -11.052 1.00 0.00 C ATOM 763 CD GLU A 46 9.941 -3.452 -11.939 1.00 0.00 C ATOM 764 OE1 GLU A 46 9.939 -4.363 -12.788 1.00 0.00 O ATOM 765 OE2 GLU A 46 10.903 -2.659 -11.791 1.00 0.00 O ATOM 0 H GLU A 46 11.745 -4.394 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 46 10.429 -2.924 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.704 -5.187 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.913 -3.908 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.833 -3.539 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.637 -2.234 -10.769 1.00 0.00 H new ATOM 772 N PRO A 47 10.716 -3.978 -6.561 1.00 0.00 N ATOM 773 CA PRO A 47 10.466 -4.134 -5.132 1.00 0.00 C ATOM 774 C PRO A 47 9.779 -2.912 -4.517 1.00 0.00 C ATOM 775 O PRO A 47 8.709 -3.029 -3.928 1.00 0.00 O ATOM 776 CB PRO A 47 11.861 -4.332 -4.543 1.00 0.00 C ATOM 777 CG PRO A 47 12.788 -3.654 -5.492 1.00 0.00 C ATOM 778 CD PRO A 47 12.133 -3.692 -6.850 1.00 0.00 C ATOM 0 HA PRO A 47 9.787 -4.962 -4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.932 -3.898 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.101 -5.391 -4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.973 -2.626 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.754 -4.159 -5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.249 -2.744 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.574 -4.462 -7.483 1.00 0.00 H new ATOM 786 N LEU A 48 10.382 -1.738 -4.674 1.00 0.00 N ATOM 787 CA LEU A 48 9.867 -0.522 -4.051 1.00 0.00 C ATOM 788 C LEU A 48 8.914 0.207 -4.990 1.00 0.00 C ATOM 789 O LEU A 48 7.902 0.763 -4.562 1.00 0.00 O ATOM 790 CB LEU A 48 11.025 0.404 -3.657 1.00 0.00 C ATOM 791 CG LEU A 48 10.616 1.740 -3.027 1.00 0.00 C ATOM 792 CD1 LEU A 48 9.851 1.513 -1.731 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.842 2.608 -2.782 1.00 0.00 C ATOM 0 H LEU A 48 11.228 -1.602 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 48 9.317 -0.806 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.669 -0.127 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.622 0.609 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 48 9.957 2.261 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.571 2.474 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.952 0.931 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.482 0.970 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.535 3.553 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.524 2.092 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.346 2.802 -3.729 1.00 0.00 H new ATOM 805 N GLU A 49 9.234 0.180 -6.275 1.00 0.00 N ATOM 806 CA GLU A 49 8.439 0.871 -7.284 1.00 0.00 C ATOM 807 C GLU A 49 7.154 0.103 -7.594 1.00 0.00 C ATOM 808 O GLU A 49 6.394 0.470 -8.488 1.00 0.00 O ATOM 809 CB GLU A 49 9.280 1.073 -8.545 1.00 0.00 C ATOM 810 CG GLU A 49 10.514 1.930 -8.298 1.00 0.00 C ATOM 811 CD GLU A 49 11.477 1.943 -9.463 1.00 0.00 C ATOM 812 OE1 GLU A 49 11.333 2.805 -10.350 1.00 0.00 O ATOM 813 OE2 GLU A 49 12.393 1.091 -9.490 1.00 0.00 O ATOM 0 H GLU A 49 10.044 -0.316 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 49 8.145 1.846 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.589 0.101 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.666 1.541 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.201 2.952 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.032 1.562 -7.412 1.00 0.00 H new ATOM 820 N TRP A 50 6.917 -0.956 -6.831 1.00 0.00 N ATOM 821 CA TRP A 50 5.689 -1.734 -6.928 1.00 0.00 C ATOM 822 C TRP A 50 4.530 -0.966 -6.287 1.00 0.00 C ATOM 823 O TRP A 50 3.363 -1.164 -6.631 1.00 0.00 O ATOM 824 CB TRP A 50 5.897 -3.082 -6.231 1.00 0.00 C ATOM 825 CG TRP A 50 4.729 -4.011 -6.321 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.295 -4.678 -7.428 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.859 -4.392 -5.251 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.199 -5.443 -7.116 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.912 -5.285 -5.785 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.786 -4.063 -3.896 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.906 -5.853 -5.010 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.789 -4.627 -3.127 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.861 -5.514 -3.686 1.00 0.00 C ATOM 0 H TRP A 50 7.571 -1.300 -6.127 1.00 0.00 H new ATOM 0 HA TRP A 50 5.442 -1.907 -7.975 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.769 -3.571 -6.665 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.123 -2.903 -5.180 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.747 -4.614 -8.407 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.682 -6.033 -7.768 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.498 -3.379 -3.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.187 -6.536 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.723 -4.380 -2.078 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.093 -5.940 -3.058 1.00 0.00 H new ATOM 844 N LEU A 51 4.869 -0.078 -5.359 1.00 0.00 N ATOM 845 CA LEU A 51 3.873 0.742 -4.682 1.00 0.00 C ATOM 846 C LEU A 51 3.236 1.724 -5.659 1.00 0.00 C ATOM 847 O LEU A 51 2.011 1.802 -5.776 1.00 0.00 O ATOM 848 CB LEU A 51 4.514 1.513 -3.522 1.00 0.00 C ATOM 849 CG LEU A 51 5.096 0.652 -2.400 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.790 1.525 -1.365 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.003 -0.178 -1.747 1.00 0.00 C ATOM 0 H LEU A 51 5.829 0.092 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 51 3.100 0.082 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.309 2.142 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.765 2.179 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 51 5.834 -0.025 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.198 0.896 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.598 2.081 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.071 2.224 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.434 -0.785 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.244 0.484 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.546 -0.829 -2.492 1.00 0.00 H new ATOM 863 N GLN A 52 4.078 2.455 -6.373 1.00 0.00 N ATOM 864 CA GLN A 52 3.614 3.490 -7.284 1.00 0.00 C ATOM 865 C GLN A 52 3.084 2.897 -8.586 1.00 0.00 C ATOM 866 O GLN A 52 3.752 2.093 -9.231 1.00 0.00 O ATOM 867 CB GLN A 52 4.735 4.495 -7.575 1.00 0.00 C ATOM 868 CG GLN A 52 6.075 3.848 -7.899 1.00 0.00 C ATOM 869 CD GLN A 52 7.128 4.853 -8.326 1.00 0.00 C ATOM 870 OE1 GLN A 52 8.315 4.684 -8.048 1.00 0.00 O ATOM 871 NE2 GLN A 52 6.709 5.895 -9.031 1.00 0.00 N ATOM 0 H GLN A 52 5.092 2.350 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 52 2.791 4.011 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.436 5.126 -8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.857 5.148 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.432 3.305 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.936 3.115 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.717 6.002 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.379 6.589 -9.362 1.00 0.00 H new ATOM 880 N TRP A 53 1.855 3.286 -8.932 1.00 0.00 N ATOM 881 CA TRP A 53 1.226 2.929 -10.207 1.00 0.00 C ATOM 882 C TRP A 53 0.860 1.453 -10.301 1.00 0.00 C ATOM 883 O TRP A 53 0.292 1.019 -11.303 1.00 0.00 O ATOM 884 CB TRP A 53 2.109 3.335 -11.389 1.00 0.00 C ATOM 885 CG TRP A 53 2.204 4.817 -11.551 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.198 5.629 -11.094 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.254 5.668 -12.201 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.926 6.932 -11.423 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.741 6.984 -12.105 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.042 5.447 -12.861 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.058 8.072 -12.639 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.635 6.527 -13.392 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.124 7.826 -13.280 1.00 0.00 C ATOM 0 H TRP A 53 1.264 3.861 -8.332 1.00 0.00 H new ATOM 0 HA TRP A 53 0.292 3.490 -10.250 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.109 2.923 -11.250 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.709 2.898 -12.304 1.00 0.00 H new ATOM 0 HD1 TRP A 53 4.071 5.296 -10.553 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.513 7.734 -11.196 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.358 4.448 -12.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.448 9.075 -12.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.574 6.367 -13.902 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.675 8.650 -13.709 1.00 0.00 H new ATOM 904 N VAL A 54 1.166 0.677 -9.272 1.00 0.00 N ATOM 905 CA VAL A 54 0.720 -0.704 -9.244 1.00 0.00 C ATOM 906 C VAL A 54 -0.190 -0.956 -8.055 1.00 0.00 C ATOM 907 O VAL A 54 -1.406 -0.982 -8.210 1.00 0.00 O ATOM 908 CB VAL A 54 1.876 -1.719 -9.209 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.320 -3.129 -9.349 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.894 -1.423 -10.301 1.00 0.00 C ATOM 0 H VAL A 54 1.710 0.973 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 54 0.176 -0.853 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 54 2.391 -1.636 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.139 -3.847 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.634 -3.333 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.788 -3.218 -10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.701 -2.155 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.409 -1.479 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.303 -0.423 -10.156 1.00 0.00 H new ATOM 920 N LEU A 55 0.398 -1.111 -6.870 1.00 0.00 N ATOM 921 CA LEU A 55 -0.355 -1.489 -5.674 1.00 0.00 C ATOM 922 C LEU A 55 -1.535 -0.554 -5.423 1.00 0.00 C ATOM 923 O LEU A 55 -2.649 -1.009 -5.157 1.00 0.00 O ATOM 924 CB LEU A 55 0.557 -1.503 -4.445 1.00 0.00 C ATOM 925 CG LEU A 55 -0.118 -1.972 -3.154 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.609 -3.399 -3.300 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.827 -1.849 -1.969 1.00 0.00 C ATOM 0 H LEU A 55 1.397 -0.980 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.747 -2.491 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.410 -2.151 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.950 -0.498 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.977 -1.328 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.086 -3.716 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.329 -3.454 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.235 -4.054 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.322 -2.189 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.711 -2.462 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.126 -0.808 -1.848 1.00 0.00 H new ATOM 939 N ILE A 56 -1.288 0.747 -5.522 1.00 0.00 N ATOM 940 CA ILE A 56 -2.318 1.743 -5.253 1.00 0.00 C ATOM 941 C ILE A 56 -3.539 1.568 -6.178 1.00 0.00 C ATOM 942 O ILE A 56 -4.630 1.255 -5.696 1.00 0.00 O ATOM 943 CB ILE A 56 -1.754 3.181 -5.351 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.598 3.358 -4.362 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.844 4.208 -5.088 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.016 4.739 -4.382 1.00 0.00 C ATOM 0 H ILE A 56 -0.383 1.137 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.655 1.583 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.380 3.339 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.958 3.145 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.175 2.623 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.424 5.211 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.639 4.092 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.251 4.058 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.827 4.787 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.407 4.949 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.743 5.478 -4.127 1.00 0.00 H new ATOM 958 N PRO A 57 -3.393 1.740 -7.511 1.00 0.00 N ATOM 959 CA PRO A 57 -4.519 1.580 -8.444 1.00 0.00 C ATOM 960 C PRO A 57 -5.077 0.158 -8.441 1.00 0.00 C ATOM 961 O PRO A 57 -6.281 -0.049 -8.618 1.00 0.00 O ATOM 962 CB PRO A 57 -3.921 1.920 -9.812 1.00 0.00 C ATOM 963 CG PRO A 57 -2.450 1.773 -9.647 1.00 0.00 C ATOM 964 CD PRO A 57 -2.153 2.111 -8.216 1.00 0.00 C ATOM 0 HA PRO A 57 -5.360 2.218 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.299 1.249 -10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.183 2.934 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.132 0.757 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.914 2.439 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.295 1.552 -7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.922 3.169 -8.093 1.00 0.00 H new ATOM 972 N ARG A 58 -4.195 -0.814 -8.217 1.00 0.00 N ATOM 973 CA ARG A 58 -4.584 -2.218 -8.154 1.00 0.00 C ATOM 974 C ARG A 58 -5.627 -2.426 -7.061 1.00 0.00 C ATOM 975 O ARG A 58 -6.633 -3.105 -7.263 1.00 0.00 O ATOM 976 CB ARG A 58 -3.355 -3.090 -7.888 1.00 0.00 C ATOM 977 CG ARG A 58 -3.611 -4.587 -7.935 1.00 0.00 C ATOM 978 CD ARG A 58 -2.295 -5.348 -7.980 1.00 0.00 C ATOM 979 NE ARG A 58 -2.471 -6.800 -7.954 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.094 -7.613 -8.946 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.682 -7.109 -10.104 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.159 -8.931 -8.789 1.00 0.00 N ATOM 0 H ARG A 58 -3.198 -0.651 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.020 -2.508 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.587 -2.844 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.952 -2.836 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.185 -4.892 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.211 -4.833 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.752 -5.070 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.679 -5.047 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.907 -7.216 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.652 -6.098 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.395 -7.733 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.497 -9.324 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.871 -9.550 -9.547 1.00 0.00 H new ATOM 996 N MET A 59 -5.389 -1.814 -5.908 1.00 0.00 N ATOM 997 CA MET A 59 -6.302 -1.936 -4.783 1.00 0.00 C ATOM 998 C MET A 59 -7.478 -0.980 -4.906 1.00 0.00 C ATOM 999 O MET A 59 -8.553 -1.256 -4.385 1.00 0.00 O ATOM 1000 CB MET A 59 -5.573 -1.715 -3.463 1.00 0.00 C ATOM 1001 CG MET A 59 -4.712 -2.895 -3.064 1.00 0.00 C ATOM 1002 SD MET A 59 -3.898 -2.666 -1.478 1.00 0.00 S ATOM 1003 CE MET A 59 -3.263 -4.316 -1.222 1.00 0.00 C ATOM 0 H MET A 59 -4.572 -1.229 -5.729 1.00 0.00 H new ATOM 0 HA MET A 59 -6.696 -2.952 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.948 -0.825 -3.543 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.304 -1.522 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.331 -3.792 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.958 -3.064 -3.832 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.636 -4.330 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.094 -5.010 -1.092 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.671 -4.616 -2.087 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.285 0.138 -5.597 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.390 1.059 -5.846 1.00 0.00 C ATOM 1015 C HIS A 60 -9.493 0.360 -6.631 1.00 0.00 C ATOM 1016 O HIS A 60 -10.677 0.548 -6.356 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.928 2.317 -6.590 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.477 3.431 -5.691 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.293 4.476 -5.318 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.283 3.670 -5.104 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.620 5.305 -4.546 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.396 4.842 -4.398 1.00 0.00 N ATOM 0 H HIS A 60 -6.389 0.426 -5.990 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.780 1.373 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.109 2.050 -7.259 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.745 2.677 -7.215 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.401 3.051 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.008 6.213 -4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.656 5.281 -3.850 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.091 -0.464 -7.591 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.040 -1.251 -8.371 1.00 0.00 C ATOM 1033 C ASP A 61 -10.606 -2.381 -7.517 1.00 0.00 C ATOM 1034 O ASP A 61 -11.808 -2.657 -7.544 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.353 -1.825 -9.609 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.330 -2.441 -10.589 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.693 -3.621 -10.421 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.729 -1.742 -11.545 1.00 0.00 O ATOM 0 H ASP A 61 -8.114 -0.605 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.857 -0.604 -8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.794 -1.034 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.630 -2.580 -9.301 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.717 -3.016 -6.756 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.077 -4.093 -5.833 1.00 0.00 C ATOM 1045 C LEU A 62 -11.208 -3.663 -4.898 1.00 0.00 C ATOM 1046 O LEU A 62 -12.239 -4.324 -4.802 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.843 -4.482 -5.006 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.038 -5.612 -3.988 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -8.861 -6.974 -4.645 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.072 -5.448 -2.823 1.00 0.00 C ATOM 0 H LEU A 62 -8.721 -2.797 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.424 -4.948 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.048 -4.773 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.495 -3.597 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.057 -5.554 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.004 -7.758 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.595 -7.091 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.857 -7.049 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.223 -6.258 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.047 -5.477 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.254 -4.492 -2.332 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.009 -2.539 -4.227 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.952 -2.058 -3.228 1.00 0.00 C ATOM 1064 C LEU A 63 -13.251 -1.577 -3.865 1.00 0.00 C ATOM 1065 O LEU A 63 -14.337 -1.814 -3.334 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.316 -0.926 -2.425 1.00 0.00 C ATOM 1067 CG LEU A 63 -10.010 -1.293 -1.721 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.322 -0.044 -1.202 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.269 -2.275 -0.583 1.00 0.00 C ATOM 0 H LEU A 63 -10.195 -1.938 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.195 -2.889 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.128 -0.086 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.031 -0.584 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.352 -1.776 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.393 -0.321 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.101 0.623 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.977 0.464 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.326 -2.523 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.945 -1.822 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.721 -3.183 -0.982 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.136 -0.906 -5.004 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.301 -0.348 -5.684 1.00 0.00 C ATOM 1083 C ASP A 64 -15.226 -1.454 -6.184 1.00 0.00 C ATOM 1084 O ASP A 64 -16.447 -1.300 -6.194 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.865 0.539 -6.852 1.00 0.00 C ATOM 1086 CG ASP A 64 -15.041 1.167 -7.573 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.692 2.064 -6.990 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.316 0.773 -8.725 1.00 0.00 O ATOM 0 H ASP A 64 -12.249 -0.734 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.850 0.259 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.208 1.326 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.285 -0.055 -7.558 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.641 -2.579 -6.573 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.415 -3.701 -7.096 1.00 0.00 C ATOM 1095 C ASN A 65 -15.703 -4.727 -6.008 1.00 0.00 C ATOM 1096 O ASN A 65 -15.950 -5.897 -6.307 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.682 -4.374 -8.259 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.667 -3.522 -9.511 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.591 -3.577 -10.327 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.617 -2.739 -9.683 1.00 0.00 N ATOM 0 H ASN A 65 -13.635 -2.741 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.363 -3.302 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.657 -4.591 -7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.159 -5.329 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.550 -2.151 -10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.874 -2.722 -8.985 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.681 -4.271 -4.753 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.975 -5.115 -3.591 1.00 0.00 C ATOM 1109 C LYS A 66 -14.868 -6.137 -3.361 1.00 0.00 C ATOM 1110 O LYS A 66 -13.992 -5.925 -2.519 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.328 -5.825 -3.744 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.512 -4.878 -3.857 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.786 -5.622 -4.223 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.981 -4.683 -4.293 1.00 0.00 C ATOM 1115 NZ LYS A 66 -21.329 -4.125 -2.960 1.00 0.00 N ATOM 0 H LYS A 66 -15.459 -3.305 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.029 -4.461 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.296 -6.459 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.481 -6.482 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.653 -4.356 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.302 -4.120 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.655 -6.118 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.978 -6.402 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.761 -3.867 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.840 -5.219 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.250 -3.644 -3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.382 -4.896 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.600 -3.444 -2.668 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.926 -7.236 -4.120 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.939 -8.316 -4.051 1.00 0.00 C ATOM 1131 C GLN A 67 -13.992 -9.054 -2.714 1.00 0.00 C ATOM 1132 O GLN A 67 -14.340 -8.484 -1.681 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.523 -7.782 -4.303 1.00 0.00 C ATOM 1134 CG GLN A 67 -12.314 -7.241 -5.708 1.00 0.00 C ATOM 1135 CD GLN A 67 -12.441 -8.306 -6.779 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -12.166 -9.484 -6.542 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -12.845 -7.898 -7.971 1.00 0.00 N ATOM 0 H GLN A 67 -15.665 -7.401 -4.804 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.193 -9.029 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.309 -6.992 -3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.805 -8.582 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.042 -6.453 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.326 -6.785 -5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.063 -6.914 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.939 -8.568 -8.735 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.654 -10.351 -2.719 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.587 -11.149 -1.493 1.00 0.00 C ATOM 1148 C PRO A 68 -12.376 -10.786 -0.639 1.00 0.00 C ATOM 1149 O PRO A 68 -12.251 -11.236 0.497 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.462 -12.584 -2.010 1.00 0.00 C ATOM 1151 CG PRO A 68 -12.837 -12.451 -3.357 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.333 -11.148 -3.920 1.00 0.00 C ATOM 0 HA PRO A 68 -14.453 -10.987 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.846 -13.191 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.437 -13.068 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.749 -12.455 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.117 -13.285 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.574 -10.661 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.209 -11.292 -4.552 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.496 -9.961 -1.207 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.263 -9.527 -0.547 1.00 0.00 C ATOM 1162 C LEU A 69 -9.276 -10.687 -0.402 1.00 0.00 C ATOM 1163 O LEU A 69 -9.669 -11.852 -0.327 1.00 0.00 O ATOM 1164 CB LEU A 69 -10.552 -8.897 0.825 1.00 0.00 C ATOM 1165 CG LEU A 69 -11.348 -7.591 0.792 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -11.564 -7.064 2.201 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.637 -6.551 -0.058 1.00 0.00 C ATOM 0 H LEU A 69 -11.618 -9.573 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.808 -8.766 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.098 -9.620 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.603 -8.712 1.328 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.321 -7.795 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.132 -6.135 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.117 -7.801 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.599 -6.878 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.219 -5.630 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.650 -6.352 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.531 -6.925 -1.076 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.968 -10.379 -0.381 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.922 -11.394 -0.238 1.00 0.00 C ATOM 1181 C PRO A 70 -7.033 -12.140 1.092 1.00 0.00 C ATOM 1182 O PRO A 70 -6.720 -13.328 1.179 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.615 -10.591 -0.308 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.986 -9.282 -0.918 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.408 -9.025 -0.514 1.00 0.00 C ATOM 0 HA PRO A 70 -6.990 -12.164 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.185 -10.454 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.868 -11.108 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.330 -8.487 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.889 -9.316 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.467 -8.471 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.941 -8.441 -1.264 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.454 -11.426 2.130 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.682 -12.041 3.423 1.00 0.00 C ATOM 1195 C GLY A 71 -6.427 -12.093 4.262 1.00 0.00 C ATOM 1196 O GLY A 71 -6.464 -11.864 5.468 1.00 0.00 O ATOM 0 H GLY A 71 -7.643 -10.424 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.451 -11.483 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.063 -13.052 3.280 1.00 0.00 H new ATOM 1200 N ALA A 72 -5.316 -12.389 3.616 1.00 0.00 N ATOM 1201 CA ALA A 72 -4.037 -12.482 4.287 1.00 0.00 C ATOM 1202 C ALA A 72 -2.960 -11.835 3.433 1.00 0.00 C ATOM 1203 O ALA A 72 -2.116 -12.512 2.846 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.704 -13.934 4.575 1.00 0.00 C ATOM 0 H ALA A 72 -5.276 -12.571 2.613 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.088 -11.951 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.740 -13.993 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.475 -14.364 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.658 -14.489 3.638 1.00 0.00 H new ATOM 1210 N PHE A 73 -3.025 -10.519 3.338 1.00 0.00 N ATOM 1211 CA PHE A 73 -2.101 -9.760 2.512 1.00 0.00 C ATOM 1212 C PHE A 73 -1.104 -9.015 3.389 1.00 0.00 C ATOM 1213 O PHE A 73 -1.497 -8.247 4.267 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.882 -8.778 1.633 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.037 -8.043 0.630 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.754 -8.606 -0.604 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.537 -6.784 0.918 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.983 -7.929 -1.530 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.768 -6.103 -0.003 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.491 -6.675 -1.228 1.00 0.00 C ATOM 0 H PHE A 73 -3.715 -9.949 3.827 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.548 -10.445 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.663 -9.324 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.380 -8.051 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.140 -9.585 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.751 -6.330 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.766 -8.380 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.383 -5.122 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.110 -6.142 -1.950 1.00 0.00 H new ATOM 1230 N ALA A 74 0.178 -9.248 3.146 1.00 0.00 N ATOM 1231 CA ALA A 74 1.234 -8.622 3.929 1.00 0.00 C ATOM 1232 C ALA A 74 2.316 -8.044 3.023 1.00 0.00 C ATOM 1233 O ALA A 74 2.739 -8.687 2.060 1.00 0.00 O ATOM 1234 CB ALA A 74 1.836 -9.626 4.901 1.00 0.00 C ATOM 0 H ALA A 74 0.513 -9.869 2.409 1.00 0.00 H new ATOM 0 HA ALA A 74 0.796 -7.802 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.624 -9.144 5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.061 -9.989 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.255 -10.465 4.345 1.00 0.00 H new ATOM 1240 N VAL A 75 2.760 -6.832 3.335 1.00 0.00 N ATOM 1241 CA VAL A 75 3.781 -6.162 2.530 1.00 0.00 C ATOM 1242 C VAL A 75 4.942 -5.661 3.378 1.00 0.00 C ATOM 1243 O VAL A 75 6.077 -5.587 2.901 1.00 0.00 O ATOM 1244 CB VAL A 75 3.211 -4.974 1.724 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.400 -5.469 0.542 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.368 -4.070 2.611 1.00 0.00 C ATOM 0 H VAL A 75 2.432 -6.293 4.136 1.00 0.00 H new ATOM 0 HA VAL A 75 4.142 -6.921 1.836 1.00 0.00 H new ATOM 0 HB VAL A 75 4.050 -4.390 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.007 -4.617 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.036 -6.065 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.572 -6.081 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.978 -3.241 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.538 -4.641 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.983 -3.680 3.422 1.00 0.00 H new ATOM 1256 N ALA A 76 4.665 -5.330 4.632 1.00 0.00 N ATOM 1257 CA ALA A 76 5.685 -4.779 5.519 1.00 0.00 C ATOM 1258 C ALA A 76 6.895 -5.713 5.659 1.00 0.00 C ATOM 1259 O ALA A 76 8.031 -5.266 5.498 1.00 0.00 O ATOM 1260 CB ALA A 76 5.088 -4.439 6.877 1.00 0.00 C ATOM 0 H ALA A 76 3.744 -5.433 5.059 1.00 0.00 H new ATOM 0 HA ALA A 76 6.051 -3.858 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.864 -4.030 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.295 -3.702 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.677 -5.341 7.330 1.00 0.00 H new ATOM 1266 N PRO A 77 6.694 -7.024 5.938 1.00 0.00 N ATOM 1267 CA PRO A 77 7.808 -7.977 6.046 1.00 0.00 C ATOM 1268 C PRO A 77 8.647 -8.047 4.771 1.00 0.00 C ATOM 1269 O PRO A 77 9.868 -8.208 4.830 1.00 0.00 O ATOM 1270 CB PRO A 77 7.120 -9.320 6.298 1.00 0.00 C ATOM 1271 CG PRO A 77 5.789 -8.968 6.858 1.00 0.00 C ATOM 1272 CD PRO A 77 5.397 -7.681 6.195 1.00 0.00 C ATOM 0 HA PRO A 77 8.504 -7.686 6.832 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.022 -9.893 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.692 -9.933 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.059 -9.751 6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.838 -8.852 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.844 -7.856 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.759 -7.075 6.838 1.00 0.00 H new ATOM 1280 N TYR A 78 7.989 -7.906 3.623 1.00 0.00 N ATOM 1281 CA TYR A 78 8.669 -7.963 2.334 1.00 0.00 C ATOM 1282 C TYR A 78 9.543 -6.729 2.137 1.00 0.00 C ATOM 1283 O TYR A 78 10.702 -6.832 1.733 1.00 0.00 O ATOM 1284 CB TYR A 78 7.649 -8.072 1.193 1.00 0.00 C ATOM 1285 CG TYR A 78 8.279 -8.233 -0.178 1.00 0.00 C ATOM 1286 CD1 TYR A 78 8.627 -9.491 -0.655 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.522 -7.132 -0.995 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.202 -9.649 -1.901 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.098 -7.284 -2.246 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.433 -8.544 -2.694 1.00 0.00 C ATOM 1291 OH TYR A 78 10.002 -8.701 -3.939 1.00 0.00 O ATOM 0 H TYR A 78 6.983 -7.751 3.560 1.00 0.00 H new ATOM 0 HA TYR A 78 9.305 -8.848 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.994 -8.922 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.022 -7.180 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.445 -10.360 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.257 -6.144 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.470 -10.634 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.284 -6.420 -2.867 1.00 0.00 H new ATOM 0 HH TYR A 78 10.096 -7.825 -4.369 1.00 0.00 H new ATOM 1301 N TYR A 79 8.988 -5.562 2.437 1.00 0.00 N ATOM 1302 CA TYR A 79 9.711 -4.311 2.257 1.00 0.00 C ATOM 1303 C TYR A 79 10.810 -4.144 3.297 1.00 0.00 C ATOM 1304 O TYR A 79 11.762 -3.398 3.080 1.00 0.00 O ATOM 1305 CB TYR A 79 8.750 -3.125 2.277 1.00 0.00 C ATOM 1306 CG TYR A 79 8.060 -2.915 0.950 1.00 0.00 C ATOM 1307 CD1 TYR A 79 6.888 -3.589 0.634 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.603 -2.059 0.002 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.277 -3.416 -0.593 1.00 0.00 C ATOM 1310 CE2 TYR A 79 7.995 -1.876 -1.221 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.835 -2.557 -1.515 1.00 0.00 C ATOM 1312 OH TYR A 79 6.244 -2.390 -2.744 1.00 0.00 O ATOM 0 H TYR A 79 8.043 -5.456 2.805 1.00 0.00 H new ATOM 0 HA TYR A 79 10.193 -4.344 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.000 -3.283 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.299 -2.222 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.447 -4.258 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.516 -1.528 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.368 -3.950 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.426 -1.201 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 79 6.937 -2.302 -3.431 1.00 0.00 H new ATOM 1322 N GLU A 80 10.689 -4.850 4.413 1.00 0.00 N ATOM 1323 CA GLU A 80 11.751 -4.871 5.412 1.00 0.00 C ATOM 1324 C GLU A 80 12.982 -5.585 4.847 1.00 0.00 C ATOM 1325 O GLU A 80 14.106 -5.381 5.302 1.00 0.00 O ATOM 1326 CB GLU A 80 11.272 -5.560 6.693 1.00 0.00 C ATOM 1327 CG GLU A 80 12.292 -5.528 7.819 1.00 0.00 C ATOM 1328 CD GLU A 80 11.810 -6.228 9.069 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.699 -7.473 9.049 1.00 0.00 O ATOM 1330 OE2 GLU A 80 11.539 -5.541 10.075 1.00 0.00 O ATOM 0 H GLU A 80 9.872 -5.413 4.649 1.00 0.00 H new ATOM 0 HA GLU A 80 12.021 -3.844 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.354 -5.080 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.025 -6.597 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.216 -5.997 7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.530 -4.491 8.058 1.00 0.00 H new ATOM 1337 N MET A 81 12.759 -6.424 3.848 1.00 0.00 N ATOM 1338 CA MET A 81 13.850 -7.119 3.177 1.00 0.00 C ATOM 1339 C MET A 81 14.334 -6.319 1.980 1.00 0.00 C ATOM 1340 O MET A 81 15.532 -6.245 1.708 1.00 0.00 O ATOM 1341 CB MET A 81 13.396 -8.497 2.707 1.00 0.00 C ATOM 1342 CG MET A 81 13.137 -9.481 3.830 1.00 0.00 C ATOM 1343 SD MET A 81 12.484 -11.044 3.216 1.00 0.00 S ATOM 1344 CE MET A 81 13.698 -11.431 1.955 1.00 0.00 C ATOM 0 H MET A 81 11.832 -6.641 3.482 1.00 0.00 H new ATOM 0 HA MET A 81 14.666 -7.231 3.890 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.485 -8.386 2.119 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.156 -8.911 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.064 -9.663 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.432 -9.046 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 81 13.722 -12.508 1.791 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.430 -10.928 1.026 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.681 -11.092 2.280 1.00 0.00 H new ATOM 1354 N ALA A 82 13.390 -5.727 1.262 1.00 0.00 N ATOM 1355 CA ALA A 82 13.706 -4.971 0.062 1.00 0.00 C ATOM 1356 C ALA A 82 14.460 -3.688 0.396 1.00 0.00 C ATOM 1357 O ALA A 82 15.393 -3.301 -0.310 1.00 0.00 O ATOM 1358 CB ALA A 82 12.432 -4.647 -0.706 1.00 0.00 C ATOM 0 H ALA A 82 12.397 -5.757 1.492 1.00 0.00 H new ATOM 0 HA ALA A 82 14.353 -5.588 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.682 -4.080 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.932 -5.573 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.768 -4.055 -0.076 1.00 0.00 H new ATOM 1364 N LEU A 83 14.051 -3.032 1.476 1.00 0.00 N ATOM 1365 CA LEU A 83 14.663 -1.779 1.887 1.00 0.00 C ATOM 1366 C LEU A 83 15.842 -2.028 2.813 1.00 0.00 C ATOM 1367 O LEU A 83 15.704 -2.692 3.847 1.00 0.00 O ATOM 1368 CB LEU A 83 13.636 -0.883 2.588 1.00 0.00 C ATOM 1369 CG LEU A 83 12.469 -0.425 1.714 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.479 0.394 2.529 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.979 0.376 0.526 1.00 0.00 C ATOM 0 H LEU A 83 13.296 -3.350 2.083 1.00 0.00 H new ATOM 0 HA LEU A 83 15.023 -1.275 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.236 -1.420 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.149 -0.002 2.973 1.00 0.00 H new ATOM 0 HG LEU A 83 11.952 -1.308 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.655 0.711 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.091 -0.213 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.981 1.272 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.136 0.695 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.520 1.252 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.647 -0.244 -0.071 1.00 0.00 H new ATOM 1383 N ALA A 84 16.995 -1.485 2.438 1.00 0.00 N ATOM 1384 CA ALA A 84 18.205 -1.594 3.243 1.00 0.00 C ATOM 1385 C ALA A 84 18.029 -0.881 4.573 1.00 0.00 C ATOM 1386 O ALA A 84 17.088 -0.107 4.754 1.00 0.00 O ATOM 1387 CB ALA A 84 19.396 -1.032 2.484 1.00 0.00 C ATOM 0 H ALA A 84 17.117 -0.960 1.572 1.00 0.00 H new ATOM 0 HA ALA A 84 18.393 -2.648 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.293 -1.120 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.534 -1.590 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.217 0.018 2.252 1.00 0.00 H new ATOM 1393 N THR A 85 18.950 -1.129 5.487 1.00 0.00 N ATOM 1394 CA THR A 85 18.805 -0.687 6.862 1.00 0.00 C ATOM 1395 C THR A 85 19.066 0.813 7.016 1.00 0.00 C ATOM 1396 O THR A 85 18.626 1.434 7.987 1.00 0.00 O ATOM 1397 CB THR A 85 19.755 -1.474 7.775 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.021 -2.765 7.204 1.00 0.00 O ATOM 1399 CG2 THR A 85 19.137 -1.658 9.148 1.00 0.00 C ATOM 0 H THR A 85 19.813 -1.639 5.299 1.00 0.00 H new ATOM 0 HA THR A 85 17.772 -0.876 7.154 1.00 0.00 H new ATOM 0 HB THR A 85 20.685 -0.913 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.629 -3.263 7.790 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.823 -2.218 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.944 -0.682 9.594 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.200 -2.206 9.055 1.00 0.00 H new ATOM 1407 N ASP A 86 19.784 1.396 6.065 1.00 0.00 N ATOM 1408 CA ASP A 86 20.010 2.836 6.070 1.00 0.00 C ATOM 1409 C ASP A 86 18.838 3.520 5.368 1.00 0.00 C ATOM 1410 O ASP A 86 17.848 2.858 5.056 1.00 0.00 O ATOM 1411 CB ASP A 86 21.339 3.186 5.388 1.00 0.00 C ATOM 1412 CG ASP A 86 21.841 4.565 5.777 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.507 4.684 6.825 1.00 0.00 O ATOM 1414 OD2 ASP A 86 21.554 5.542 5.054 1.00 0.00 O ATOM 0 H ASP A 86 20.217 0.899 5.286 1.00 0.00 H new ATOM 0 HA ASP A 86 20.073 3.190 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.089 2.441 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.213 3.139 4.306 1.00 0.00 H new ATOM 1419 N HIS A 87 18.948 4.824 5.107 1.00 0.00 N ATOM 1420 CA HIS A 87 17.851 5.591 4.516 1.00 0.00 C ATOM 1421 C HIS A 87 16.658 5.617 5.482 1.00 0.00 C ATOM 1422 O HIS A 87 15.788 4.748 5.431 1.00 0.00 O ATOM 1423 CB HIS A 87 17.478 4.992 3.148 1.00 0.00 C ATOM 1424 CG HIS A 87 16.419 5.730 2.389 1.00 0.00 C ATOM 1425 ND1 HIS A 87 16.689 6.787 1.554 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.084 5.529 2.316 1.00 0.00 C ATOM 1427 CE1 HIS A 87 15.571 7.207 1.000 1.00 0.00 C ATOM 1428 NE2 HIS A 87 14.579 6.460 1.444 1.00 0.00 N ATOM 0 H HIS A 87 19.788 5.371 5.296 1.00 0.00 H new ATOM 0 HA HIS A 87 18.161 6.623 4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.377 4.947 2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 87 17.144 3.966 3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.520 4.776 2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.481 8.025 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 87 13.598 6.558 1.182 1.00 0.00 H new ATOM 1437 N PRO A 88 16.618 6.628 6.375 1.00 0.00 N ATOM 1438 CA PRO A 88 15.664 6.694 7.503 1.00 0.00 C ATOM 1439 C PRO A 88 14.198 6.597 7.082 1.00 0.00 C ATOM 1440 O PRO A 88 13.339 6.221 7.882 1.00 0.00 O ATOM 1441 CB PRO A 88 15.942 8.063 8.139 1.00 0.00 C ATOM 1442 CG PRO A 88 16.723 8.822 7.125 1.00 0.00 C ATOM 1443 CD PRO A 88 17.505 7.801 6.357 1.00 0.00 C ATOM 0 HA PRO A 88 15.807 5.849 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.013 8.578 8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.503 7.958 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.063 9.385 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.386 9.543 7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.715 8.133 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.465 7.589 6.828 1.00 0.00 H new ATOM 1451 N GLN A 89 13.918 6.924 5.825 1.00 0.00 N ATOM 1452 CA GLN A 89 12.562 6.844 5.287 1.00 0.00 C ATOM 1453 C GLN A 89 12.023 5.415 5.352 1.00 0.00 C ATOM 1454 O GLN A 89 10.815 5.204 5.305 1.00 0.00 O ATOM 1455 CB GLN A 89 12.539 7.346 3.843 1.00 0.00 C ATOM 1456 CG GLN A 89 12.961 8.797 3.707 1.00 0.00 C ATOM 1457 CD GLN A 89 12.046 9.730 4.465 1.00 0.00 C ATOM 1458 OE1 GLN A 89 10.852 9.470 4.599 1.00 0.00 O ATOM 1459 NE2 GLN A 89 12.600 10.813 4.979 1.00 0.00 N ATOM 0 H GLN A 89 14.615 7.249 5.155 1.00 0.00 H new ATOM 0 HA GLN A 89 11.919 7.477 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.200 6.724 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.533 7.228 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.981 8.913 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.968 9.074 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.595 10.990 4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.033 11.472 5.511 1.00 0.00 H new ATOM 1468 N ARG A 90 12.932 4.450 5.473 1.00 0.00 N ATOM 1469 CA ARG A 90 12.576 3.037 5.587 1.00 0.00 C ATOM 1470 C ARG A 90 11.505 2.827 6.653 1.00 0.00 C ATOM 1471 O ARG A 90 10.466 2.220 6.393 1.00 0.00 O ATOM 1472 CB ARG A 90 13.820 2.231 5.955 1.00 0.00 C ATOM 1473 CG ARG A 90 13.610 0.727 5.988 1.00 0.00 C ATOM 1474 CD ARG A 90 14.741 0.046 6.741 1.00 0.00 C ATOM 1475 NE ARG A 90 14.822 -1.390 6.471 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.829 -2.326 7.417 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.566 -2.010 8.680 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.058 -3.590 7.099 1.00 0.00 N ATOM 0 H ARG A 90 13.937 4.625 5.495 1.00 0.00 H new ATOM 0 HA ARG A 90 12.180 2.702 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.610 2.459 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.172 2.557 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.658 0.498 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.558 0.339 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.686 0.516 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.604 0.202 7.811 1.00 0.00 H new ATOM 0 HE ARG A 90 14.876 -1.692 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.357 -1.044 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.573 -2.734 9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.230 -3.848 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.063 -4.306 7.826 1.00 0.00 H new ATOM 1492 N ALA A 91 11.762 3.361 7.843 1.00 0.00 N ATOM 1493 CA ALA A 91 10.858 3.195 8.974 1.00 0.00 C ATOM 1494 C ALA A 91 9.511 3.859 8.708 1.00 0.00 C ATOM 1495 O ALA A 91 8.465 3.320 9.062 1.00 0.00 O ATOM 1496 CB ALA A 91 11.487 3.763 10.238 1.00 0.00 C ATOM 0 H ALA A 91 12.593 3.915 8.049 1.00 0.00 H new ATOM 0 HA ALA A 91 10.684 2.128 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.802 3.633 11.076 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.420 3.239 10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.691 4.825 10.098 1.00 0.00 H new ATOM 1502 N LEU A 92 9.542 5.022 8.064 1.00 0.00 N ATOM 1503 CA LEU A 92 8.322 5.763 7.764 1.00 0.00 C ATOM 1504 C LEU A 92 7.479 5.023 6.733 1.00 0.00 C ATOM 1505 O LEU A 92 6.253 4.971 6.840 1.00 0.00 O ATOM 1506 CB LEU A 92 8.658 7.167 7.262 1.00 0.00 C ATOM 1507 CG LEU A 92 9.362 8.067 8.280 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.684 9.413 7.659 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.501 8.249 9.522 1.00 0.00 C ATOM 0 H LEU A 92 10.399 5.471 7.740 1.00 0.00 H new ATOM 0 HA LEU A 92 7.743 5.849 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.291 7.079 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.735 7.654 6.946 1.00 0.00 H new ATOM 0 HG LEU A 92 10.295 7.587 8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.184 10.043 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.338 9.270 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.761 9.895 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.020 8.892 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.552 8.708 9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.314 7.278 9.980 1.00 0.00 H new ATOM 1521 N ILE A 93 8.144 4.446 5.738 1.00 0.00 N ATOM 1522 CA ILE A 93 7.461 3.647 4.731 1.00 0.00 C ATOM 1523 C ILE A 93 6.828 2.426 5.379 1.00 0.00 C ATOM 1524 O ILE A 93 5.641 2.157 5.196 1.00 0.00 O ATOM 1525 CB ILE A 93 8.421 3.182 3.612 1.00 0.00 C ATOM 1526 CG1 ILE A 93 9.106 4.385 2.959 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.669 2.366 2.567 1.00 0.00 C ATOM 1528 CD1 ILE A 93 10.062 4.011 1.846 1.00 0.00 C ATOM 0 H ILE A 93 9.153 4.517 5.609 1.00 0.00 H new ATOM 0 HA ILE A 93 6.694 4.279 4.282 1.00 0.00 H new ATOM 0 HB ILE A 93 9.187 2.548 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.343 5.054 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.651 4.940 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.361 2.047 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.226 1.489 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.882 2.977 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.509 4.915 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.847 3.366 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.519 3.482 1.062 1.00 0.00 H new ATOM 1540 N LEU A 94 7.626 1.709 6.164 1.00 0.00 N ATOM 1541 CA LEU A 94 7.169 0.500 6.835 1.00 0.00 C ATOM 1542 C LEU A 94 6.010 0.800 7.780 1.00 0.00 C ATOM 1543 O LEU A 94 5.103 -0.015 7.933 1.00 0.00 O ATOM 1544 CB LEU A 94 8.323 -0.157 7.601 1.00 0.00 C ATOM 1545 CG LEU A 94 9.467 -0.683 6.729 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.581 -1.255 7.589 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.956 -1.733 5.754 1.00 0.00 C ATOM 0 H LEU A 94 8.600 1.948 6.351 1.00 0.00 H new ATOM 0 HA LEU A 94 6.814 -0.193 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.729 0.568 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.924 -0.985 8.188 1.00 0.00 H new ATOM 0 HG LEU A 94 9.871 0.153 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.383 -1.623 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.969 -0.477 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.191 -2.076 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.783 -2.095 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.524 -2.565 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.195 -1.292 5.110 1.00 0.00 H new ATOM 1559 N ALA A 95 6.032 1.978 8.394 1.00 0.00 N ATOM 1560 CA ALA A 95 4.960 2.392 9.292 1.00 0.00 C ATOM 1561 C ALA A 95 3.628 2.481 8.554 1.00 0.00 C ATOM 1562 O ALA A 95 2.628 1.898 8.984 1.00 0.00 O ATOM 1563 CB ALA A 95 5.294 3.725 9.940 1.00 0.00 C ATOM 0 H ALA A 95 6.780 2.663 8.286 1.00 0.00 H new ATOM 0 HA ALA A 95 4.865 1.637 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.483 4.019 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.218 3.631 10.511 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.421 4.483 9.167 1.00 0.00 H new ATOM 1569 N GLU A 96 3.616 3.204 7.439 1.00 0.00 N ATOM 1570 CA GLU A 96 2.408 3.333 6.631 1.00 0.00 C ATOM 1571 C GLU A 96 2.031 1.989 6.011 1.00 0.00 C ATOM 1572 O GLU A 96 0.851 1.696 5.802 1.00 0.00 O ATOM 1573 CB GLU A 96 2.593 4.385 5.534 1.00 0.00 C ATOM 1574 CG GLU A 96 2.749 5.806 6.059 1.00 0.00 C ATOM 1575 CD GLU A 96 1.578 6.263 6.908 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.431 6.227 6.418 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.803 6.680 8.063 1.00 0.00 O ATOM 0 H GLU A 96 4.425 3.708 7.075 1.00 0.00 H new ATOM 0 HA GLU A 96 1.599 3.657 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.472 4.128 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.736 4.349 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.663 5.870 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.865 6.487 5.216 1.00 0.00 H new ATOM 1584 N LEU A 97 3.040 1.173 5.723 1.00 0.00 N ATOM 1585 CA LEU A 97 2.809 -0.165 5.201 1.00 0.00 C ATOM 1586 C LEU A 97 2.104 -1.029 6.235 1.00 0.00 C ATOM 1587 O LEU A 97 1.156 -1.730 5.904 1.00 0.00 O ATOM 1588 CB LEU A 97 4.120 -0.829 4.776 1.00 0.00 C ATOM 1589 CG LEU A 97 4.802 -0.204 3.560 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.075 -0.960 3.224 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.861 -0.180 2.363 1.00 0.00 C ATOM 0 H LEU A 97 4.023 1.416 5.843 1.00 0.00 H new ATOM 0 HA LEU A 97 2.171 -0.070 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.813 -0.799 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.924 -1.880 4.562 1.00 0.00 H new ATOM 0 HG LEU A 97 5.063 0.826 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.551 -0.504 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.757 -0.920 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.833 -1.999 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.369 0.269 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.564 -1.199 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.975 0.406 2.608 1.00 0.00 H new ATOM 1603 N GLU A 98 2.559 -0.965 7.488 1.00 0.00 N ATOM 1604 CA GLU A 98 1.933 -1.727 8.569 1.00 0.00 C ATOM 1605 C GLU A 98 0.478 -1.324 8.753 1.00 0.00 C ATOM 1606 O GLU A 98 -0.353 -2.144 9.131 1.00 0.00 O ATOM 1607 CB GLU A 98 2.677 -1.551 9.892 1.00 0.00 C ATOM 1608 CG GLU A 98 4.009 -2.277 9.953 1.00 0.00 C ATOM 1609 CD GLU A 98 4.476 -2.484 11.379 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.068 -3.491 11.999 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.226 -1.631 11.898 1.00 0.00 O ATOM 0 H GLU A 98 3.355 -0.396 7.778 1.00 0.00 H new ATOM 0 HA GLU A 98 1.982 -2.777 8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.846 -0.488 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.043 -1.908 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.919 -3.243 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.759 -1.706 9.405 1.00 0.00 H new ATOM 1618 N LYS A 99 0.174 -0.061 8.489 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.203 0.412 8.545 1.00 0.00 C ATOM 1620 C LYS A 99 -2.067 -0.355 7.556 1.00 0.00 C ATOM 1621 O LYS A 99 -3.078 -0.942 7.933 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.271 1.910 8.256 1.00 0.00 C ATOM 1623 CG LYS A 99 -0.765 2.765 9.399 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.720 4.234 9.021 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.228 5.085 10.178 1.00 0.00 C ATOM 1626 NZ LYS A 99 -1.152 5.022 11.338 1.00 0.00 N ATOM 0 H LYS A 99 0.858 0.652 8.235 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.584 0.238 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.686 2.127 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.303 2.184 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.411 2.632 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.232 2.433 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.064 4.371 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.714 4.565 8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.762 4.747 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.125 6.120 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.932 5.793 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.133 5.120 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.040 4.108 11.822 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.649 -0.363 6.296 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.366 -1.088 5.254 1.00 0.00 C ATOM 1642 C LEU A 100 -2.346 -2.589 5.547 1.00 0.00 C ATOM 1643 O LEU A 100 -3.357 -3.283 5.412 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.721 -0.813 3.893 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.470 -1.382 2.691 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.819 -0.702 2.537 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.643 -1.223 1.426 1.00 0.00 C ATOM 0 H LEU A 100 -0.815 0.126 5.970 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.401 -0.748 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.627 0.265 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.711 -1.223 3.898 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.638 -2.446 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.340 -1.119 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.414 -0.866 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.672 0.368 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.192 -1.634 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.445 -0.166 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.699 -1.755 1.539 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.182 -3.058 5.971 1.00 0.00 N ATOM 1660 CA ASP A 101 -0.953 -4.460 6.308 1.00 0.00 C ATOM 1661 C ASP A 101 -1.956 -4.923 7.366 1.00 0.00 C ATOM 1662 O ASP A 101 -2.593 -5.971 7.227 1.00 0.00 O ATOM 1663 CB ASP A 101 0.485 -4.605 6.834 1.00 0.00 C ATOM 1664 CG ASP A 101 1.000 -6.029 6.847 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.645 -6.790 7.773 1.00 0.00 O ATOM 1666 OD2 ASP A 101 1.804 -6.376 5.952 1.00 0.00 O ATOM 0 H ASP A 101 -0.358 -2.470 6.093 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.088 -5.081 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.148 -3.996 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.532 -4.204 7.847 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.116 -4.109 8.404 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.022 -4.420 9.505 1.00 0.00 C ATOM 1673 C ALA A 102 -4.483 -4.219 9.112 1.00 0.00 C ATOM 1674 O ALA A 102 -5.385 -4.711 9.793 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.685 -3.569 10.718 1.00 0.00 C ATOM 0 H ALA A 102 -1.625 -3.221 8.506 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.889 -5.473 9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.368 -3.810 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.661 -3.771 11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.784 -2.514 10.461 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.723 -3.497 8.026 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.086 -3.283 7.552 1.00 0.00 C ATOM 1683 C LEU A 103 -6.625 -4.547 6.895 1.00 0.00 C ATOM 1684 O LEU A 103 -7.805 -4.866 7.020 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.161 -2.105 6.578 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.849 -0.738 7.188 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.936 0.349 6.134 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.785 -0.433 8.346 1.00 0.00 C ATOM 0 H LEU A 103 -4.000 -3.053 7.460 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.705 -3.042 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.466 -2.287 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.162 -2.073 6.147 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.830 -0.765 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.711 1.314 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.218 0.144 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.942 0.371 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.542 0.545 8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.815 -0.430 7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.670 -1.195 9.117 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.756 -5.279 6.213 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.146 -6.562 5.639 1.00 0.00 C ATOM 1702 C PHE A 104 -6.243 -7.622 6.726 1.00 0.00 C ATOM 1703 O PHE A 104 -6.830 -8.685 6.526 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.172 -6.990 4.545 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.348 -6.198 3.286 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.280 -6.587 2.338 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.601 -5.058 3.059 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.463 -5.850 1.186 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.776 -4.319 1.909 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.710 -4.716 0.970 1.00 0.00 C ATOM 0 H PHE A 104 -4.786 -5.012 6.044 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.129 -6.448 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.150 -6.873 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.314 -8.049 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.870 -7.477 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.872 -4.743 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.195 -6.161 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.184 -3.431 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.849 -4.138 0.068 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.664 -7.315 7.878 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.801 -8.156 9.055 1.00 0.00 C ATOM 1722 C ALA A 105 -7.037 -7.743 9.847 1.00 0.00 C ATOM 1723 O ALA A 105 -7.452 -8.426 10.785 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.552 -8.062 9.921 1.00 0.00 C ATOM 0 H ALA A 105 -5.091 -6.483 8.021 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.919 -9.192 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.669 -8.697 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.686 -8.392 9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.406 -7.029 10.237 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.622 -6.618 9.453 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.797 -6.076 10.127 1.00 0.00 C ATOM 1732 C ASP A 106 -10.071 -6.729 9.610 1.00 0.00 C ATOM 1733 O ASP A 106 -10.898 -7.199 10.393 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.874 -4.562 9.930 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.144 -3.962 10.499 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.146 -3.579 11.685 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.142 -3.857 9.757 1.00 0.00 O ATOM 0 H ASP A 106 -7.299 -6.059 8.663 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.703 -6.293 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.012 -4.094 10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.815 -4.335 8.866 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.233 -6.745 8.292 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.394 -7.383 7.685 1.00 0.00 C ATOM 1744 C ASP A 107 -11.232 -8.891 7.772 1.00 0.00 C ATOM 1745 O ASP A 107 -10.415 -9.479 7.059 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.563 -6.954 6.223 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.966 -7.200 5.699 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.338 -8.373 5.480 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.713 -6.214 5.509 1.00 0.00 O ATOM 0 H ASP A 107 -9.581 -6.327 7.628 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.288 -7.073 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.325 -5.894 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.848 -7.497 5.604 1.00 0.00 H new