USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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 71 ASN : amide:sc= -2.35! C(o=-2.5!,f=-4.7!) USER MOD Set 1.2: A 73 THR OG1 : rot -160:sc= -0.192 USER MOD Set 2.1: A 6 TYR OH : rot 68:sc= 1.11 USER MOD Set 2.2: A 11 MET CE :methyl 145:sc= -1.59 (180deg=-4.53!) USER MOD Single : A 7 ASN :FLIP amide:sc= -2.97 F(o=-3.9!,f=-3) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.0121 (180deg=-0.158) USER MOD Single : A 63 MET CE :methyl -117:sc= -1.59 (180deg=-3.75!) USER MOD Single : A 64 MET CE :methyl -112:sc= -3.85! (180deg=-7.43!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 80:sc= -0.932 USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= 2.08 (180deg=0.725) USER MOD Single : A 77 THR OG1 : rot 134:sc= 1.12 USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.867 USER MOD Single : A 82 SER OG : rot 77:sc= 0.861 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 61:sc= 1.22 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.01! C(o=-2!,f=-7.2!) USER MOD Single : A 102 SER OG : rot 180:sc= -0.936 USER MOD Single : A 108 MET CE :methyl 172:sc= -1.18 (180deg=-1.34) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 133:sc= 1.26 (180deg=0.46) USER MOD Single : A 124 SER OG : rot -31:sc= 0.689 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.368 F(o=-3.6!,f=-0.37) USER MOD Single : A 128 CYS SG : rot 31:sc= -3.44! USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 3.612 -14.811 6.791 1.00 0.00 N ATOM 23 CA ILE A 3 4.348 -13.566 6.593 1.00 0.00 C ATOM 24 C ILE A 3 3.936 -12.537 7.658 1.00 0.00 C ATOM 25 O ILE A 3 4.219 -11.342 7.545 1.00 0.00 O ATOM 26 CB ILE A 3 4.087 -13.015 5.163 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.068 -11.880 4.817 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.638 -12.547 5.019 1.00 0.00 C ATOM 29 CD1 ILE A 3 4.890 -11.324 3.420 1.00 0.00 C ATOM 0 HA ILE A 3 5.416 -13.760 6.697 1.00 0.00 H new ATOM 0 HB ILE A 3 4.255 -13.827 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.944 -11.072 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.088 -12.249 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.477 -12.165 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.965 -13.385 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.437 -11.757 5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.616 -10.529 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.044 -12.119 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.882 -10.924 3.313 1.00 0.00 H new ATOM 41 N ARG A 4 3.283 -13.029 8.713 1.00 0.00 N ATOM 42 CA ARG A 4 2.752 -12.172 9.776 1.00 0.00 C ATOM 43 C ARG A 4 3.864 -11.338 10.415 1.00 0.00 C ATOM 44 O ARG A 4 3.633 -10.211 10.851 1.00 0.00 O ATOM 45 CB ARG A 4 2.057 -13.015 10.854 1.00 0.00 C ATOM 46 CG ARG A 4 0.967 -13.938 10.314 1.00 0.00 C ATOM 47 CD ARG A 4 0.303 -14.740 11.429 1.00 0.00 C ATOM 48 NE ARG A 4 -0.568 -15.800 10.916 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.366 -16.550 11.679 1.00 0.00 C ATOM 50 NH1 ARG A 4 -1.446 -16.330 12.986 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.087 -17.522 11.133 1.00 0.00 N ATOM 0 H ARG A 4 3.108 -14.024 8.855 1.00 0.00 H new ATOM 0 HA ARG A 4 2.024 -11.498 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.806 -13.617 11.369 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.619 -12.348 11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.214 -13.346 9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.398 -14.621 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.073 -15.181 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.280 -14.068 12.058 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.564 -15.976 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.896 -15.584 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.058 -16.907 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.031 -17.696 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.696 -18.095 11.717 1.00 0.00 H new ATOM 65 N ASP A 5 5.071 -11.903 10.448 1.00 0.00 N ATOM 66 CA ASP A 5 6.232 -11.234 11.038 1.00 0.00 C ATOM 67 C ASP A 5 6.451 -9.882 10.367 1.00 0.00 C ATOM 68 O ASP A 5 6.565 -8.849 11.037 1.00 0.00 O ATOM 69 CB ASP A 5 7.490 -12.102 10.863 1.00 0.00 C ATOM 70 CG ASP A 5 7.261 -13.558 11.240 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.668 -14.299 10.425 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.668 -13.970 12.345 1.00 0.00 O ATOM 0 H ASP A 5 5.271 -12.829 10.070 1.00 0.00 H new ATOM 0 HA ASP A 5 6.045 -11.084 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.821 -12.048 9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.294 -11.695 11.476 1.00 0.00 H new ATOM 77 N TYR A 6 6.475 -9.905 9.035 1.00 0.00 N ATOM 78 CA TYR A 6 6.604 -8.695 8.232 1.00 0.00 C ATOM 79 C TYR A 6 5.454 -7.743 8.536 1.00 0.00 C ATOM 80 O TYR A 6 5.668 -6.553 8.770 1.00 0.00 O ATOM 81 CB TYR A 6 6.637 -9.057 6.732 1.00 0.00 C ATOM 82 CG TYR A 6 5.917 -8.074 5.817 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.522 -6.893 5.400 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.622 -8.336 5.378 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.856 -6.007 4.573 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.953 -7.455 4.553 1.00 0.00 C ATOM 87 CZ TYR A 6 4.572 -6.293 4.154 1.00 0.00 C ATOM 88 OH TYR A 6 3.903 -5.416 3.330 1.00 0.00 O ATOM 0 H TYR A 6 6.406 -10.762 8.486 1.00 0.00 H new ATOM 0 HA TYR A 6 7.539 -8.195 8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.677 -9.131 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.193 -10.044 6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.526 -6.665 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.131 -9.246 5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.339 -5.094 4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.949 -7.677 4.222 1.00 0.00 H new ATOM 0 HH TYR A 6 4.330 -5.406 2.448 1.00 0.00 H new ATOM 98 N ASN A 7 4.240 -8.291 8.550 1.00 0.00 N ATOM 99 CA ASN A 7 3.045 -7.497 8.810 1.00 0.00 C ATOM 100 C ASN A 7 3.219 -6.701 10.100 1.00 0.00 C ATOM 101 O ASN A 7 3.495 -5.503 10.063 1.00 0.00 O ATOM 102 CB ASN A 7 1.793 -8.390 8.898 1.00 0.00 C ATOM 103 CG ASN A 7 1.444 -9.066 7.580 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.853 -10.248 7.656 1.00 0.00 O flip ATOM 105 ND2 ASN A 7 1.686 -8.527 6.503 1.00 0.00 N flip ATOM 0 H ASN A 7 4.060 -9.281 8.384 1.00 0.00 H new ATOM 0 HA ASN A 7 2.906 -6.806 7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.952 -9.154 9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.946 -7.786 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.143 -7.615 6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.430 -8.991 5.632 1.00 0.00 H new ATOM 112 N ASP A 8 3.119 -7.390 11.232 1.00 0.00 N ATOM 113 CA ASP A 8 3.211 -6.746 12.538 1.00 0.00 C ATOM 114 C ASP A 8 4.464 -5.882 12.632 1.00 0.00 C ATOM 115 O ASP A 8 4.384 -4.645 12.674 1.00 0.00 O ATOM 116 CB ASP A 8 3.224 -7.793 13.664 1.00 0.00 C ATOM 117 CG ASP A 8 1.930 -8.584 13.753 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.941 -8.050 14.296 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.896 -9.747 13.290 1.00 0.00 O ATOM 0 H ASP A 8 2.974 -8.399 11.271 1.00 0.00 H new ATOM 0 HA ASP A 8 2.333 -6.110 12.654 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.054 -8.481 13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.404 -7.293 14.616 1.00 0.00 H new ATOM 124 N ALA A 9 5.619 -6.541 12.602 1.00 0.00 N ATOM 125 CA ALA A 9 6.882 -5.886 12.905 1.00 0.00 C ATOM 126 C ALA A 9 7.233 -4.823 11.871 1.00 0.00 C ATOM 127 O ALA A 9 7.396 -3.648 12.208 1.00 0.00 O ATOM 128 CB ALA A 9 7.999 -6.919 13.005 1.00 0.00 C ATOM 0 H ALA A 9 5.703 -7.531 12.370 1.00 0.00 H new ATOM 0 HA ALA A 9 6.771 -5.383 13.866 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.940 -6.417 13.232 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.767 -7.630 13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.090 -7.449 12.057 1.00 0.00 H new ATOM 134 N ASP A 10 7.316 -5.224 10.607 1.00 0.00 N ATOM 135 CA ASP A 10 7.885 -4.354 9.587 1.00 0.00 C ATOM 136 C ASP A 10 6.900 -3.260 9.186 1.00 0.00 C ATOM 137 O ASP A 10 7.306 -2.112 8.980 1.00 0.00 O ATOM 138 CB ASP A 10 8.343 -5.157 8.363 1.00 0.00 C ATOM 139 CG ASP A 10 9.348 -4.385 7.518 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.494 -4.194 7.993 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.010 -3.976 6.393 1.00 0.00 O ATOM 0 H ASP A 10 7.001 -6.133 10.268 1.00 0.00 H new ATOM 0 HA ASP A 10 8.764 -3.873 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.790 -6.095 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.477 -5.413 7.753 1.00 0.00 H new ATOM 146 N MET A 11 5.602 -3.584 9.112 1.00 0.00 N ATOM 147 CA MET A 11 4.609 -2.567 8.762 1.00 0.00 C ATOM 148 C MET A 11 4.506 -1.540 9.885 1.00 0.00 C ATOM 149 O MET A 11 4.422 -0.340 9.621 1.00 0.00 O ATOM 150 CB MET A 11 3.232 -3.181 8.468 1.00 0.00 C ATOM 151 CG MET A 11 3.185 -4.099 7.243 1.00 0.00 C ATOM 152 SD MET A 11 3.056 -3.210 5.671 1.00 0.00 S ATOM 153 CE MET A 11 4.741 -2.667 5.389 1.00 0.00 C ATOM 0 H MET A 11 5.225 -4.516 9.285 1.00 0.00 H new ATOM 0 HA MET A 11 4.942 -2.076 7.848 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.909 -3.747 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.513 -2.374 8.327 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.083 -4.717 7.228 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.335 -4.775 7.339 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.957 -2.690 4.321 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.863 -1.650 5.762 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.429 -3.330 5.912 1.00 0.00 H new ATOM 163 N ALA A 12 4.535 -1.999 11.141 1.00 0.00 N ATOM 164 CA ALA A 12 4.534 -1.073 12.273 1.00 0.00 C ATOM 165 C ALA A 12 5.729 -0.125 12.179 1.00 0.00 C ATOM 166 O ALA A 12 5.578 1.095 12.204 1.00 0.00 O ATOM 167 CB ALA A 12 4.561 -1.829 13.596 1.00 0.00 C ATOM 0 H ALA A 12 4.559 -2.987 11.394 1.00 0.00 H new ATOM 0 HA ALA A 12 3.615 -0.488 12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.560 -1.117 14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.682 -2.469 13.667 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.461 -2.442 13.647 1.00 0.00 H new ATOM 173 N ARG A 13 6.911 -0.713 12.023 1.00 0.00 N ATOM 174 CA ARG A 13 8.160 0.043 11.981 1.00 0.00 C ATOM 175 C ARG A 13 8.212 0.992 10.780 1.00 0.00 C ATOM 176 O ARG A 13 8.807 2.067 10.863 1.00 0.00 O ATOM 177 CB ARG A 13 9.353 -0.920 11.943 1.00 0.00 C ATOM 178 CG ARG A 13 9.517 -1.734 13.223 1.00 0.00 C ATOM 179 CD ARG A 13 10.581 -2.815 13.075 1.00 0.00 C ATOM 180 NE ARG A 13 10.829 -3.517 14.336 1.00 0.00 N ATOM 181 CZ ARG A 13 11.610 -4.594 14.457 1.00 0.00 C ATOM 182 NH1 ARG A 13 12.136 -5.171 13.382 1.00 0.00 N ATOM 183 NH2 ARG A 13 11.839 -5.110 15.658 1.00 0.00 N ATOM 0 H ARG A 13 7.031 -1.721 11.923 1.00 0.00 H new ATOM 0 HA ARG A 13 8.210 0.652 12.884 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.233 -1.602 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.265 -0.350 11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.786 -1.070 14.044 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.565 -2.195 13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.266 -3.532 12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.509 -2.365 12.722 1.00 0.00 H new ATOM 0 HE ARG A 13 10.376 -3.160 15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.945 -4.792 12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.731 -5.993 13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.419 -4.684 16.484 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.435 -5.932 15.755 1.00 0.00 H new ATOM 197 N LEU A 14 7.589 0.596 9.676 1.00 0.00 N ATOM 198 CA LEU A 14 7.609 1.400 8.453 1.00 0.00 C ATOM 199 C LEU A 14 6.634 2.575 8.559 1.00 0.00 C ATOM 200 O LEU A 14 7.012 3.729 8.354 1.00 0.00 O ATOM 201 CB LEU A 14 7.262 0.530 7.237 1.00 0.00 C ATOM 202 CG LEU A 14 7.349 1.233 5.870 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.774 1.720 5.593 1.00 0.00 C ATOM 204 CD2 LEU A 14 6.873 0.306 4.754 1.00 0.00 C ATOM 0 H LEU A 14 7.064 -0.275 9.599 1.00 0.00 H new ATOM 0 HA LEU A 14 8.615 1.800 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.930 -0.331 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.250 0.146 7.364 1.00 0.00 H new ATOM 0 HG LEU A 14 6.693 2.103 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.808 2.213 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.075 2.425 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.456 0.869 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.943 0.823 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.498 -0.587 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.837 0.019 4.936 1.00 0.00 H new ATOM 216 N LEU A 15 5.382 2.277 8.903 1.00 0.00 N ATOM 217 CA LEU A 15 4.339 3.303 8.986 1.00 0.00 C ATOM 218 C LEU A 15 4.478 4.121 10.265 1.00 0.00 C ATOM 219 O LEU A 15 3.820 5.154 10.426 1.00 0.00 O ATOM 220 CB LEU A 15 2.938 2.675 8.899 1.00 0.00 C ATOM 221 CG LEU A 15 2.539 2.127 7.512 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.661 3.210 6.442 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.374 0.905 7.143 1.00 0.00 C ATOM 0 H LEU A 15 5.064 1.335 9.129 1.00 0.00 H new ATOM 0 HA LEU A 15 4.466 3.973 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.878 1.862 9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.204 3.423 9.199 1.00 0.00 H new ATOM 0 HG LEU A 15 1.495 1.817 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.374 2.799 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.004 4.043 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.692 3.562 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.071 0.540 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.429 1.179 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.219 0.121 7.885 1.00 0.00 H new ATOM 235 N GLU A 16 5.344 3.654 11.162 1.00 0.00 N ATOM 236 CA GLU A 16 5.669 4.365 12.396 1.00 0.00 C ATOM 237 C GLU A 16 5.973 5.836 12.089 1.00 0.00 C ATOM 238 O GLU A 16 5.349 6.750 12.644 1.00 0.00 O ATOM 239 CB GLU A 16 6.893 3.690 13.051 1.00 0.00 C ATOM 240 CG GLU A 16 6.757 3.424 14.547 1.00 0.00 C ATOM 241 CD GLU A 16 6.639 4.688 15.381 1.00 0.00 C ATOM 242 OE1 GLU A 16 7.160 5.744 14.961 1.00 0.00 O ATOM 243 OE2 GLU A 16 6.043 4.623 16.476 1.00 0.00 O ATOM 0 H GLU A 16 5.841 2.770 11.053 1.00 0.00 H new ATOM 0 HA GLU A 16 4.821 4.326 13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.082 2.744 12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.768 4.319 12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.878 2.802 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.622 2.854 14.886 1.00 0.00 H new ATOM 250 N GLN A 17 6.907 6.046 11.163 1.00 0.00 N ATOM 251 CA GLN A 17 7.340 7.389 10.790 1.00 0.00 C ATOM 252 C GLN A 17 6.202 8.180 10.154 1.00 0.00 C ATOM 253 O GLN A 17 6.064 9.371 10.399 1.00 0.00 O ATOM 254 CB GLN A 17 8.540 7.322 9.833 1.00 0.00 C ATOM 255 CG GLN A 17 8.942 8.673 9.249 1.00 0.00 C ATOM 256 CD GLN A 17 10.274 8.634 8.520 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.681 7.599 7.998 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.965 9.762 8.492 1.00 0.00 N ATOM 0 H GLN A 17 7.380 5.298 10.656 1.00 0.00 H new ATOM 0 HA GLN A 17 7.644 7.906 11.700 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.393 6.899 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.303 6.640 9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.167 9.009 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.995 9.408 10.052 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.592 10.600 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.871 9.794 8.025 1.00 0.00 H new ATOM 267 N TRP A 18 5.380 7.510 9.355 1.00 0.00 N ATOM 268 CA TRP A 18 4.288 8.177 8.650 1.00 0.00 C ATOM 269 C TRP A 18 3.305 8.803 9.641 1.00 0.00 C ATOM 270 O TRP A 18 2.853 9.943 9.459 1.00 0.00 O ATOM 271 CB TRP A 18 3.573 7.184 7.723 1.00 0.00 C ATOM 272 CG TRP A 18 4.438 6.724 6.582 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.471 5.829 6.644 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.348 7.137 5.215 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.029 5.669 5.400 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.358 6.458 4.507 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.513 8.017 4.523 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.553 6.631 3.140 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.707 8.188 3.166 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.720 7.497 2.488 1.00 0.00 C ATOM 0 H TRP A 18 5.447 6.508 9.178 1.00 0.00 H new ATOM 0 HA TRP A 18 4.705 8.979 8.041 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.254 6.318 8.303 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.672 7.650 7.325 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.799 5.323 7.540 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.817 5.060 5.178 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.731 8.554 5.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.333 6.101 2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.068 8.865 2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.846 7.652 1.427 1.00 0.00 H new ATOM 291 N GLU A 19 2.996 8.069 10.706 1.00 0.00 N ATOM 292 CA GLU A 19 2.137 8.594 11.762 1.00 0.00 C ATOM 293 C GLU A 19 2.872 9.687 12.524 1.00 0.00 C ATOM 294 O GLU A 19 2.295 10.722 12.856 1.00 0.00 O ATOM 295 CB GLU A 19 1.697 7.493 12.731 1.00 0.00 C ATOM 296 CG GLU A 19 0.856 6.394 12.095 1.00 0.00 C ATOM 297 CD GLU A 19 0.084 5.593 13.132 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.681 4.714 13.783 1.00 0.00 O ATOM 299 OE2 GLU A 19 -1.123 5.857 13.312 1.00 0.00 O ATOM 0 H GLU A 19 3.325 7.116 10.860 1.00 0.00 H new ATOM 0 HA GLU A 19 1.242 9.005 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.584 7.043 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.127 7.946 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.157 6.837 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.503 5.725 11.528 1.00 0.00 H new ATOM 306 N LYS A 20 4.157 9.446 12.782 1.00 0.00 N ATOM 307 CA LYS A 20 5.008 10.408 13.476 1.00 0.00 C ATOM 308 C LYS A 20 4.959 11.762 12.765 1.00 0.00 C ATOM 309 O LYS A 20 4.716 12.792 13.393 1.00 0.00 O ATOM 310 CB LYS A 20 6.451 9.881 13.538 1.00 0.00 C ATOM 311 CG LYS A 20 7.392 10.712 14.405 1.00 0.00 C ATOM 312 CD LYS A 20 8.813 10.147 14.385 1.00 0.00 C ATOM 313 CE LYS A 20 9.751 10.909 15.313 1.00 0.00 C ATOM 314 NZ LYS A 20 9.344 10.792 16.740 1.00 0.00 N ATOM 0 H LYS A 20 4.634 8.584 12.517 1.00 0.00 H new ATOM 0 HA LYS A 20 4.642 10.540 14.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.435 8.859 13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.853 9.839 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.403 11.742 14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.022 10.733 15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.789 9.098 14.678 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.202 10.185 13.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.766 10.529 15.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.768 11.961 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.109 11.146 17.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.483 11.353 16.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.155 9.795 16.966 1.00 0.00 H new ATOM 328 N ASP A 21 5.172 11.733 11.448 1.00 0.00 N ATOM 329 CA ASP A 21 5.125 12.936 10.617 1.00 0.00 C ATOM 330 C ASP A 21 3.764 13.607 10.706 1.00 0.00 C ATOM 331 O ASP A 21 3.674 14.789 11.026 1.00 0.00 O ATOM 332 CB ASP A 21 5.449 12.607 9.148 1.00 0.00 C ATOM 333 CG ASP A 21 6.940 12.671 8.847 1.00 0.00 C ATOM 334 OD1 ASP A 21 7.641 11.659 9.051 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.416 13.747 8.415 1.00 0.00 O ATOM 0 H ASP A 21 5.381 10.879 10.930 1.00 0.00 H new ATOM 0 HA ASP A 21 5.881 13.624 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.077 11.610 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.921 13.305 8.499 1.00 0.00 H new ATOM 340 N ASP A 22 2.705 12.846 10.429 1.00 0.00 N ATOM 341 CA ASP A 22 1.342 13.389 10.460 1.00 0.00 C ATOM 342 C ASP A 22 1.053 14.086 11.797 1.00 0.00 C ATOM 343 O ASP A 22 0.473 15.175 11.827 1.00 0.00 O ATOM 344 CB ASP A 22 0.318 12.278 10.187 1.00 0.00 C ATOM 345 CG ASP A 22 -1.121 12.729 10.411 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.675 13.430 9.538 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.706 12.368 11.454 1.00 0.00 O ATOM 0 H ASP A 22 2.761 11.858 10.182 1.00 0.00 H new ATOM 0 HA ASP A 22 1.256 14.138 9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.429 11.933 9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.532 11.427 10.834 1.00 0.00 H new ATOM 352 N ASP A 23 1.497 13.474 12.894 1.00 0.00 N ATOM 353 CA ASP A 23 1.331 14.064 14.225 1.00 0.00 C ATOM 354 C ASP A 23 2.150 15.349 14.351 1.00 0.00 C ATOM 355 O ASP A 23 1.657 16.365 14.851 1.00 0.00 O ATOM 356 CB ASP A 23 1.744 13.078 15.333 1.00 0.00 C ATOM 357 CG ASP A 23 0.724 11.972 15.568 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.451 12.294 15.857 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.090 10.777 15.483 1.00 0.00 O ATOM 0 H ASP A 23 1.973 12.572 12.889 1.00 0.00 H new ATOM 0 HA ASP A 23 0.273 14.298 14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.702 12.629 15.071 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.893 13.628 16.262 1.00 0.00 H new ATOM 364 N ILE A 24 3.398 15.305 13.887 1.00 0.00 N ATOM 365 CA ILE A 24 4.280 16.470 13.932 1.00 0.00 C ATOM 366 C ILE A 24 3.699 17.611 13.095 1.00 0.00 C ATOM 367 O ILE A 24 3.824 18.784 13.452 1.00 0.00 O ATOM 368 CB ILE A 24 5.715 16.130 13.438 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.383 15.114 14.383 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.571 17.395 13.316 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.771 14.684 13.944 1.00 0.00 C ATOM 0 H ILE A 24 3.822 14.474 13.475 1.00 0.00 H new ATOM 0 HA ILE A 24 4.350 16.784 14.974 1.00 0.00 H new ATOM 0 HB ILE A 24 5.634 15.683 12.447 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.447 15.548 15.381 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.747 14.232 14.459 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.569 17.127 12.969 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.110 18.079 12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.644 17.880 14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.174 13.968 14.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.714 14.219 12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.424 15.556 13.896 1.00 0.00 H new ATOM 383 N GLU A 25 3.040 17.255 11.999 1.00 0.00 N ATOM 384 CA GLU A 25 2.395 18.233 11.131 1.00 0.00 C ATOM 385 C GLU A 25 1.192 18.854 11.835 1.00 0.00 C ATOM 386 O GLU A 25 0.936 20.056 11.709 1.00 0.00 O ATOM 387 CB GLU A 25 1.976 17.579 9.812 1.00 0.00 C ATOM 388 CG GLU A 25 3.154 17.112 8.964 1.00 0.00 C ATOM 389 CD GLU A 25 4.112 18.244 8.621 1.00 0.00 C ATOM 390 OE1 GLU A 25 3.651 19.275 8.079 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.327 18.112 8.882 1.00 0.00 O ATOM 0 H GLU A 25 2.938 16.289 11.688 1.00 0.00 H new ATOM 0 HA GLU A 25 3.107 19.027 10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.332 16.726 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.383 18.289 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.696 16.332 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.780 16.666 8.043 1.00 0.00 H new ATOM 398 N GLU A 26 0.456 18.027 12.580 1.00 0.00 N ATOM 399 CA GLU A 26 -0.599 18.513 13.469 1.00 0.00 C ATOM 400 C GLU A 26 0.013 19.391 14.562 1.00 0.00 C ATOM 401 O GLU A 26 -0.662 20.218 15.171 1.00 0.00 O ATOM 402 CB GLU A 26 -1.357 17.331 14.097 1.00 0.00 C ATOM 403 CG GLU A 26 -2.239 16.559 13.118 1.00 0.00 C ATOM 404 CD GLU A 26 -3.503 17.317 12.740 1.00 0.00 C ATOM 405 OE1 GLU A 26 -4.478 17.278 13.521 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.535 17.956 11.670 1.00 0.00 O ATOM 0 H GLU A 26 0.573 17.014 12.584 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.306 19.106 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.634 16.644 14.537 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.978 17.704 14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.668 16.341 12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.514 15.601 13.561 1.00 0.00 H new ATOM 413 N GLY A 27 1.309 19.201 14.786 1.00 0.00 N ATOM 414 CA GLY A 27 2.040 19.986 15.763 1.00 0.00 C ATOM 415 C GLY A 27 2.061 19.330 17.128 1.00 0.00 C ATOM 416 O GLY A 27 2.345 19.982 18.135 1.00 0.00 O ATOM 0 H GLY A 27 1.874 18.505 14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.063 20.132 15.417 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.587 20.974 15.844 1.00 0.00 H new ATOM 420 N ASP A 28 1.764 18.036 17.160 1.00 0.00 N ATOM 421 CA ASP A 28 1.812 17.256 18.393 1.00 0.00 C ATOM 422 C ASP A 28 2.922 16.216 18.297 1.00 0.00 C ATOM 423 O ASP A 28 2.816 15.265 17.523 1.00 0.00 O ATOM 424 CB ASP A 28 0.473 16.546 18.654 1.00 0.00 C ATOM 425 CG ASP A 28 -0.688 17.509 18.833 1.00 0.00 C ATOM 426 OD1 ASP A 28 -0.774 18.161 19.895 1.00 0.00 O ATOM 427 OD2 ASP A 28 -1.526 17.618 17.915 1.00 0.00 O ATOM 0 H ASP A 28 1.485 17.500 16.338 1.00 0.00 H new ATOM 0 HA ASP A 28 2.008 17.939 19.220 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.256 15.876 17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.565 15.927 19.547 1.00 0.00 H new ATOM 432 N LEU A 29 3.998 16.413 19.052 1.00 0.00 N ATOM 433 CA LEU A 29 5.078 15.433 19.114 1.00 0.00 C ATOM 434 C LEU A 29 4.573 14.181 19.827 1.00 0.00 C ATOM 435 O LEU A 29 4.318 14.212 21.032 1.00 0.00 O ATOM 436 CB LEU A 29 6.308 16.011 19.841 1.00 0.00 C ATOM 437 CG LEU A 29 7.130 17.046 19.048 1.00 0.00 C ATOM 438 CD1 LEU A 29 7.667 16.435 17.755 1.00 0.00 C ATOM 439 CD2 LEU A 29 6.308 18.300 18.755 1.00 0.00 C ATOM 0 H LEU A 29 4.146 17.241 19.629 1.00 0.00 H new ATOM 0 HA LEU A 29 5.386 15.177 18.100 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.974 16.474 20.769 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.965 15.186 20.116 1.00 0.00 H new ATOM 0 HG LEU A 29 7.978 17.341 19.665 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.244 17.183 17.211 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.307 15.585 17.992 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.834 16.100 17.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.916 19.011 18.195 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.430 18.031 18.168 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.991 18.755 19.694 1.00 0.00 H new ATOM 451 N LEU A 62 -5.095 8.197 3.877 1.00 0.00 N ATOM 452 CA LEU A 62 -5.044 7.094 2.921 1.00 0.00 C ATOM 453 C LEU A 62 -3.721 6.335 3.017 1.00 0.00 C ATOM 454 O LEU A 62 -2.676 6.810 2.573 1.00 0.00 O ATOM 455 CB LEU A 62 -5.277 7.615 1.490 1.00 0.00 C ATOM 456 CG LEU A 62 -5.773 6.568 0.469 1.00 0.00 C ATOM 457 CD1 LEU A 62 -4.665 5.591 0.071 1.00 0.00 C ATOM 458 CD2 LEU A 62 -6.979 5.814 1.035 1.00 0.00 C ATOM 0 HA LEU A 62 -5.842 6.394 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.003 8.427 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.344 8.041 1.122 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.075 7.099 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.056 4.871 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.839 6.142 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.310 5.063 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.322 5.078 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.692 5.307 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.783 6.519 1.244 1.00 0.00 H new ATOM 470 N MET A 63 -3.789 5.157 3.621 1.00 0.00 N ATOM 471 CA MET A 63 -2.655 4.246 3.710 1.00 0.00 C ATOM 472 C MET A 63 -3.164 2.803 3.677 1.00 0.00 C ATOM 473 O MET A 63 -3.874 2.362 4.590 1.00 0.00 O ATOM 474 CB MET A 63 -1.828 4.549 4.975 1.00 0.00 C ATOM 475 CG MET A 63 -2.668 4.810 6.222 1.00 0.00 C ATOM 476 SD MET A 63 -1.720 5.575 7.557 1.00 0.00 S ATOM 477 CE MET A 63 -0.499 4.308 7.896 1.00 0.00 C ATOM 0 H MET A 63 -4.636 4.804 4.066 1.00 0.00 H new ATOM 0 HA MET A 63 -1.991 4.386 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.160 3.709 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.199 5.419 4.785 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.506 5.456 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.089 3.868 6.575 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.628 3.941 8.914 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.626 3.483 7.195 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.501 4.728 7.786 1.00 0.00 H new ATOM 487 N MET A 64 -2.826 2.086 2.604 1.00 0.00 N ATOM 488 CA MET A 64 -3.393 0.763 2.333 1.00 0.00 C ATOM 489 C MET A 64 -2.322 -0.324 2.334 1.00 0.00 C ATOM 490 O MET A 64 -1.208 -0.122 1.843 1.00 0.00 O ATOM 491 CB MET A 64 -4.091 0.745 0.962 1.00 0.00 C ATOM 492 CG MET A 64 -5.264 1.704 0.824 1.00 0.00 C ATOM 493 SD MET A 64 -6.092 1.529 -0.772 1.00 0.00 S ATOM 494 CE MET A 64 -7.409 2.731 -0.625 1.00 0.00 C ATOM 0 H MET A 64 -2.156 2.403 1.903 1.00 0.00 H new ATOM 0 HA MET A 64 -4.110 0.561 3.129 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.355 0.982 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.444 -0.267 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.979 1.521 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.911 2.729 0.940 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.368 2.216 -0.580 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.268 3.316 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.394 3.395 -1.490 1.00 0.00 H new ATOM 504 N PHE A 65 -2.680 -1.482 2.883 1.00 0.00 N ATOM 505 CA PHE A 65 -1.877 -2.692 2.757 1.00 0.00 C ATOM 506 C PHE A 65 -2.590 -3.631 1.792 1.00 0.00 C ATOM 507 O PHE A 65 -3.749 -3.990 2.027 1.00 0.00 O ATOM 508 CB PHE A 65 -1.706 -3.385 4.117 1.00 0.00 C ATOM 509 CG PHE A 65 -1.187 -2.483 5.204 1.00 0.00 C ATOM 510 CD1 PHE A 65 0.113 -2.005 5.166 1.00 0.00 C ATOM 511 CD2 PHE A 65 -2.000 -2.113 6.266 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.591 -1.177 6.164 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.526 -1.288 7.265 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.229 -0.820 7.214 1.00 0.00 C ATOM 0 H PHE A 65 -3.534 -1.606 3.427 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.885 -2.433 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.667 -3.795 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.023 -4.227 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.760 -2.283 4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.016 -2.475 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.606 -0.810 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.170 -1.009 8.086 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.144 -0.175 7.996 1.00 0.00 H new ATOM 524 N VAL A 66 -1.927 -4.023 0.711 1.00 0.00 N ATOM 525 CA VAL A 66 -2.574 -4.826 -0.320 1.00 0.00 C ATOM 526 C VAL A 66 -2.015 -6.246 -0.336 1.00 0.00 C ATOM 527 O VAL A 66 -0.908 -6.488 -0.829 1.00 0.00 O ATOM 528 CB VAL A 66 -2.405 -4.195 -1.728 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.215 -4.967 -2.770 1.00 0.00 C ATOM 530 CG2 VAL A 66 -2.796 -2.718 -1.715 1.00 0.00 C ATOM 0 H VAL A 66 -0.949 -3.800 0.526 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.636 -4.857 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.352 -4.260 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.081 -4.507 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.871 -6.001 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.271 -4.945 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.669 -2.299 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.838 -2.620 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.161 -2.180 -1.012 1.00 0.00 H new ATOM 540 N THR A 67 -2.780 -7.176 0.223 1.00 0.00 N ATOM 541 CA THR A 67 -2.452 -8.590 0.148 1.00 0.00 C ATOM 542 C THR A 67 -2.821 -9.097 -1.243 1.00 0.00 C ATOM 543 O THR A 67 -3.995 -9.342 -1.534 1.00 0.00 O ATOM 544 CB THR A 67 -3.210 -9.404 1.225 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.966 -8.835 2.521 1.00 0.00 O ATOM 546 CG2 THR A 67 -2.782 -10.870 1.218 1.00 0.00 C ATOM 0 H THR A 67 -3.637 -6.972 0.736 1.00 0.00 H new ATOM 0 HA THR A 67 -1.385 -8.718 0.331 1.00 0.00 H new ATOM 0 HB THR A 67 -4.275 -9.361 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.448 -9.351 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.333 -11.414 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.994 -11.306 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.713 -10.938 1.422 1.00 0.00 H new ATOM 554 N VAL A 68 -1.825 -9.220 -2.112 1.00 0.00 N ATOM 555 CA VAL A 68 -2.085 -9.515 -3.512 1.00 0.00 C ATOM 556 C VAL A 68 -2.346 -10.999 -3.721 1.00 0.00 C ATOM 557 O VAL A 68 -3.449 -11.395 -4.093 1.00 0.00 O ATOM 558 CB VAL A 68 -0.897 -9.084 -4.406 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.205 -9.344 -5.880 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.546 -7.615 -4.165 1.00 0.00 C ATOM 0 H VAL A 68 -0.838 -9.121 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.972 -8.949 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.029 -9.685 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.356 -9.033 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.390 -10.407 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.089 -8.777 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.291 -7.332 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.409 -6.991 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.270 -7.474 -3.120 1.00 0.00 H new ATOM 570 N SER A 69 -1.339 -11.816 -3.444 1.00 0.00 N ATOM 571 CA SER A 69 -1.405 -13.240 -3.746 1.00 0.00 C ATOM 572 C SER A 69 -1.908 -14.060 -2.559 1.00 0.00 C ATOM 573 O SER A 69 -2.893 -14.797 -2.664 1.00 0.00 O ATOM 574 CB SER A 69 -0.023 -13.740 -4.189 1.00 0.00 C ATOM 575 OG SER A 69 -0.058 -15.115 -4.531 1.00 0.00 O ATOM 0 H SER A 69 -0.466 -11.517 -3.010 1.00 0.00 H new ATOM 0 HA SER A 69 -2.122 -13.374 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.319 -13.159 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.698 -13.581 -3.387 1.00 0.00 H new ATOM 0 HG SER A 69 -0.421 -15.218 -5.435 1.00 0.00 H new ATOM 581 N GLY A 70 -1.233 -13.913 -1.428 1.00 0.00 N ATOM 582 CA GLY A 70 -1.424 -14.823 -0.314 1.00 0.00 C ATOM 583 C GLY A 70 -0.448 -15.984 -0.400 1.00 0.00 C ATOM 584 O GLY A 70 -0.311 -16.773 0.536 1.00 0.00 O ATOM 0 H GLY A 70 -0.551 -13.174 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.282 -14.290 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.447 -15.200 -0.316 1.00 0.00 H new ATOM 588 N ASN A 71 0.228 -16.077 -1.545 1.00 0.00 N ATOM 589 CA ASN A 71 1.258 -17.081 -1.789 1.00 0.00 C ATOM 590 C ASN A 71 2.631 -16.400 -1.784 1.00 0.00 C ATOM 591 O ASN A 71 2.839 -15.424 -2.507 1.00 0.00 O ATOM 592 CB ASN A 71 1.001 -17.770 -3.138 1.00 0.00 C ATOM 593 CG ASN A 71 2.061 -18.792 -3.514 1.00 0.00 C ATOM 594 OD1 ASN A 71 2.642 -19.459 -2.658 1.00 0.00 O ATOM 595 ND2 ASN A 71 2.319 -18.927 -4.804 1.00 0.00 N ATOM 0 H ASN A 71 0.073 -15.451 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 71 1.233 -17.838 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.029 -18.263 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.947 -17.011 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.018 -19.600 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.818 -18.358 -5.487 1.00 0.00 H new ATOM 602 N PRO A 72 3.580 -16.899 -0.968 1.00 0.00 N ATOM 603 CA PRO A 72 4.898 -16.267 -0.766 1.00 0.00 C ATOM 604 C PRO A 72 5.707 -16.057 -2.057 1.00 0.00 C ATOM 605 O PRO A 72 6.681 -15.301 -2.054 1.00 0.00 O ATOM 606 CB PRO A 72 5.630 -17.227 0.193 1.00 0.00 C ATOM 607 CG PRO A 72 4.869 -18.506 0.119 1.00 0.00 C ATOM 608 CD PRO A 72 3.443 -18.122 -0.155 1.00 0.00 C ATOM 0 HA PRO A 72 4.779 -15.257 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.668 -17.368 -0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.643 -16.834 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.259 -19.147 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.951 -19.064 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.910 -18.906 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.891 -17.935 0.766 1.00 0.00 H new ATOM 616 N THR A 73 5.335 -16.734 -3.142 1.00 0.00 N ATOM 617 CA THR A 73 6.088 -16.641 -4.389 1.00 0.00 C ATOM 618 C THR A 73 6.082 -15.191 -4.916 1.00 0.00 C ATOM 619 O THR A 73 5.142 -14.757 -5.588 1.00 0.00 O ATOM 620 CB THR A 73 5.515 -17.612 -5.446 1.00 0.00 C ATOM 621 OG1 THR A 73 5.108 -18.832 -4.802 1.00 0.00 O ATOM 622 CG2 THR A 73 6.554 -17.940 -6.511 1.00 0.00 C ATOM 0 H THR A 73 4.522 -17.349 -3.182 1.00 0.00 H new ATOM 0 HA THR A 73 7.121 -16.928 -4.190 1.00 0.00 H new ATOM 0 HB THR A 73 4.663 -17.130 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.047 -19.549 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.123 -18.625 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.863 -17.023 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.420 -18.407 -6.043 1.00 0.00 H new ATOM 630 N GLU A 74 7.151 -14.466 -4.576 1.00 0.00 N ATOM 631 CA GLU A 74 7.299 -13.020 -4.834 1.00 0.00 C ATOM 632 C GLU A 74 6.879 -12.594 -6.247 1.00 0.00 C ATOM 633 O GLU A 74 6.414 -11.463 -6.444 1.00 0.00 O ATOM 634 CB GLU A 74 8.764 -12.621 -4.599 1.00 0.00 C ATOM 635 CG GLU A 74 9.254 -12.893 -3.178 1.00 0.00 C ATOM 636 CD GLU A 74 10.770 -12.883 -3.064 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.358 -11.802 -2.838 1.00 0.00 O ATOM 638 OE2 GLU A 74 11.385 -13.964 -3.203 1.00 0.00 O ATOM 0 H GLU A 74 7.959 -14.871 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 74 6.627 -12.507 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.396 -13.163 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.882 -11.560 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.839 -12.142 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.876 -13.860 -2.847 1.00 0.00 H new ATOM 645 N LYS A 75 7.049 -13.484 -7.223 1.00 0.00 N ATOM 646 CA LYS A 75 6.775 -13.162 -8.625 1.00 0.00 C ATOM 647 C LYS A 75 5.379 -12.564 -8.809 1.00 0.00 C ATOM 648 O LYS A 75 5.184 -11.679 -9.640 1.00 0.00 O ATOM 649 CB LYS A 75 6.978 -14.404 -9.513 1.00 0.00 C ATOM 650 CG LYS A 75 6.289 -15.682 -9.021 1.00 0.00 C ATOM 651 CD LYS A 75 4.810 -15.757 -9.397 1.00 0.00 C ATOM 652 CE LYS A 75 4.608 -15.851 -10.907 1.00 0.00 C ATOM 653 NZ LYS A 75 3.170 -15.810 -11.282 1.00 0.00 N ATOM 0 H LYS A 75 7.376 -14.438 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 75 7.488 -12.399 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.613 -14.177 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.047 -14.598 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.806 -16.547 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.384 -15.743 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.357 -16.624 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.294 -14.876 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.133 -15.029 -11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.052 -16.776 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.921 -16.677 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.589 -15.741 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.992 -14.983 -11.887 1.00 0.00 H new ATOM 667 N GLU A 76 4.428 -13.032 -8.010 1.00 0.00 N ATOM 668 CA GLU A 76 3.048 -12.542 -8.074 1.00 0.00 C ATOM 669 C GLU A 76 2.990 -11.032 -7.834 1.00 0.00 C ATOM 670 O GLU A 76 2.469 -10.275 -8.661 1.00 0.00 O ATOM 671 CB GLU A 76 2.177 -13.273 -7.040 1.00 0.00 C ATOM 672 CG GLU A 76 2.058 -14.779 -7.272 1.00 0.00 C ATOM 673 CD GLU A 76 1.214 -15.144 -8.490 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.539 -14.703 -9.609 1.00 0.00 O ATOM 675 OE2 GLU A 76 0.225 -15.890 -8.337 1.00 0.00 O ATOM 0 H GLU A 76 4.584 -13.753 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 76 2.663 -12.745 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.592 -13.102 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.179 -12.836 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.056 -15.200 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.622 -15.241 -6.386 1.00 0.00 H new ATOM 682 N THR A 77 3.537 -10.601 -6.702 1.00 0.00 N ATOM 683 CA THR A 77 3.535 -9.191 -6.337 1.00 0.00 C ATOM 684 C THR A 77 4.377 -8.373 -7.315 1.00 0.00 C ATOM 685 O THR A 77 4.048 -7.224 -7.618 1.00 0.00 O ATOM 686 CB THR A 77 4.056 -8.988 -4.899 1.00 0.00 C ATOM 687 OG1 THR A 77 3.279 -9.777 -3.993 1.00 0.00 O ATOM 688 CG2 THR A 77 3.991 -7.522 -4.479 1.00 0.00 C ATOM 0 H THR A 77 3.988 -11.211 -6.020 1.00 0.00 H new ATOM 0 HA THR A 77 2.503 -8.842 -6.385 1.00 0.00 H new ATOM 0 HB THR A 77 5.100 -9.302 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.876 -10.254 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.366 -7.418 -3.461 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.602 -6.923 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.958 -7.177 -4.522 1.00 0.00 H new ATOM 696 N GLU A 78 5.460 -8.966 -7.811 1.00 0.00 N ATOM 697 CA GLU A 78 6.312 -8.300 -8.790 1.00 0.00 C ATOM 698 C GLU A 78 5.514 -7.974 -10.056 1.00 0.00 C ATOM 699 O GLU A 78 5.502 -6.825 -10.518 1.00 0.00 O ATOM 700 CB GLU A 78 7.522 -9.176 -9.132 1.00 0.00 C ATOM 701 CG GLU A 78 8.524 -8.500 -10.061 1.00 0.00 C ATOM 702 CD GLU A 78 9.699 -9.397 -10.407 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.661 -9.462 -9.614 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.669 -10.036 -11.480 1.00 0.00 O ATOM 0 H GLU A 78 5.767 -9.903 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 78 6.673 -7.367 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.028 -9.457 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.172 -10.098 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.018 -8.201 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.894 -7.589 -9.589 1.00 0.00 H new ATOM 711 N GLU A 79 4.836 -8.986 -10.601 1.00 0.00 N ATOM 712 CA GLU A 79 3.998 -8.809 -11.786 1.00 0.00 C ATOM 713 C GLU A 79 2.966 -7.718 -11.538 1.00 0.00 C ATOM 714 O GLU A 79 2.872 -6.741 -12.287 1.00 0.00 O ATOM 715 CB GLU A 79 3.260 -10.112 -12.141 1.00 0.00 C ATOM 716 CG GLU A 79 4.165 -11.284 -12.501 1.00 0.00 C ATOM 717 CD GLU A 79 3.369 -12.537 -12.842 1.00 0.00 C ATOM 718 OE1 GLU A 79 2.894 -13.223 -11.914 1.00 0.00 O ATOM 719 OE2 GLU A 79 3.200 -12.835 -14.045 1.00 0.00 O ATOM 0 H GLU A 79 4.852 -9.939 -10.238 1.00 0.00 H new ATOM 0 HA GLU A 79 4.649 -8.529 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.635 -10.400 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.592 -9.917 -12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.792 -11.011 -13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.834 -11.495 -11.666 1.00 0.00 H new ATOM 726 N ILE A 80 2.218 -7.888 -10.456 1.00 0.00 N ATOM 727 CA ILE A 80 1.088 -7.026 -10.150 1.00 0.00 C ATOM 728 C ILE A 80 1.540 -5.574 -9.940 1.00 0.00 C ATOM 729 O ILE A 80 0.905 -4.643 -10.433 1.00 0.00 O ATOM 730 CB ILE A 80 0.312 -7.555 -8.907 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.199 -7.373 -9.100 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.773 -6.884 -7.611 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.770 -8.222 -10.219 1.00 0.00 C ATOM 0 H ILE A 80 2.378 -8.625 -9.769 1.00 0.00 H new ATOM 0 HA ILE A 80 0.411 -7.042 -11.004 1.00 0.00 H new ATOM 0 HB ILE A 80 0.532 -8.619 -8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.709 -7.621 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.407 -6.323 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.204 -7.284 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.834 -7.081 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.610 -5.809 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.842 -8.044 -10.300 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.286 -7.958 -11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.593 -9.276 -10.003 1.00 0.00 H new ATOM 745 N THR A 81 2.650 -5.395 -9.228 1.00 0.00 N ATOM 746 CA THR A 81 3.200 -4.068 -8.970 1.00 0.00 C ATOM 747 C THR A 81 3.652 -3.408 -10.276 1.00 0.00 C ATOM 748 O THR A 81 3.453 -2.207 -10.475 1.00 0.00 O ATOM 749 CB THR A 81 4.376 -4.126 -7.960 1.00 0.00 C ATOM 750 OG1 THR A 81 3.902 -4.605 -6.691 1.00 0.00 O ATOM 751 CG2 THR A 81 5.025 -2.757 -7.770 1.00 0.00 C ATOM 0 H THR A 81 3.189 -6.158 -8.818 1.00 0.00 H new ATOM 0 HA THR A 81 2.408 -3.464 -8.527 1.00 0.00 H new ATOM 0 HB THR A 81 5.126 -4.806 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.842 -5.583 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.844 -2.839 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.411 -2.401 -8.725 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.284 -2.052 -7.393 1.00 0.00 H new ATOM 759 N SER A 82 4.245 -4.199 -11.172 1.00 0.00 N ATOM 760 CA SER A 82 4.652 -3.696 -12.481 1.00 0.00 C ATOM 761 C SER A 82 3.428 -3.231 -13.277 1.00 0.00 C ATOM 762 O SER A 82 3.465 -2.190 -13.949 1.00 0.00 O ATOM 763 CB SER A 82 5.422 -4.777 -13.251 1.00 0.00 C ATOM 764 OG SER A 82 6.596 -5.157 -12.549 1.00 0.00 O ATOM 0 H SER A 82 4.452 -5.185 -11.015 1.00 0.00 H new ATOM 0 HA SER A 82 5.312 -2.841 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.784 -5.648 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.689 -4.405 -14.240 1.00 0.00 H new ATOM 0 HG SER A 82 6.355 -5.746 -11.804 1.00 0.00 H new ATOM 770 N LEU A 83 2.338 -3.997 -13.182 1.00 0.00 N ATOM 771 CA LEU A 83 1.078 -3.619 -13.814 1.00 0.00 C ATOM 772 C LEU A 83 0.595 -2.294 -13.240 1.00 0.00 C ATOM 773 O LEU A 83 0.284 -1.358 -13.976 1.00 0.00 O ATOM 774 CB LEU A 83 0.001 -4.701 -13.602 1.00 0.00 C ATOM 775 CG LEU A 83 0.346 -6.097 -14.152 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.783 -7.083 -13.867 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.643 -6.033 -15.650 1.00 0.00 C ATOM 0 H LEU A 83 2.306 -4.881 -12.674 1.00 0.00 H new ATOM 0 HA LEU A 83 1.251 -3.516 -14.885 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.195 -4.789 -12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.924 -4.364 -14.069 1.00 0.00 H new ATOM 0 HG LEU A 83 1.243 -6.450 -13.644 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.519 -8.063 -14.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.938 -7.157 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.700 -6.734 -14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.884 -7.031 -16.016 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.232 -5.654 -16.179 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.489 -5.368 -15.825 1.00 0.00 H new ATOM 789 N TRP A 84 0.569 -2.223 -11.912 1.00 0.00 N ATOM 790 CA TRP A 84 0.099 -1.038 -11.203 1.00 0.00 C ATOM 791 C TRP A 84 0.948 0.179 -11.549 1.00 0.00 C ATOM 792 O TRP A 84 0.445 1.304 -11.580 1.00 0.00 O ATOM 793 CB TRP A 84 0.083 -1.297 -9.690 1.00 0.00 C ATOM 794 CG TRP A 84 -0.924 -2.340 -9.296 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.974 -2.777 -10.050 1.00 0.00 C ATOM 796 CD2 TRP A 84 -0.989 -3.068 -8.063 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.683 -3.725 -9.368 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.102 -3.923 -8.145 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.216 -3.082 -6.900 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.463 -4.780 -7.109 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.575 -3.933 -5.871 1.00 0.00 C ATOM 802 CH2 TRP A 84 -1.691 -4.770 -5.981 1.00 0.00 C ATOM 0 H TRP A 84 0.871 -2.981 -11.300 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.921 -0.824 -11.523 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.075 -1.614 -9.368 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.139 -0.366 -9.168 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.211 -2.424 -11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.512 -4.208 -9.715 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.647 -2.439 -6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.322 -5.429 -7.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.016 -3.952 -4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.947 -5.421 -5.158 1.00 0.00 H new ATOM 813 N GLN A 85 2.230 -0.041 -11.825 1.00 0.00 N ATOM 814 CA GLN A 85 3.093 1.024 -12.312 1.00 0.00 C ATOM 815 C GLN A 85 2.574 1.516 -13.662 1.00 0.00 C ATOM 816 O GLN A 85 2.155 2.670 -13.798 1.00 0.00 O ATOM 817 CB GLN A 85 4.542 0.529 -12.444 1.00 0.00 C ATOM 818 CG GLN A 85 5.516 1.594 -12.942 1.00 0.00 C ATOM 819 CD GLN A 85 6.911 1.043 -13.184 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.226 0.579 -14.282 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.757 1.086 -12.166 1.00 0.00 N ATOM 0 H GLN A 85 2.691 -0.945 -11.719 1.00 0.00 H new ATOM 0 HA GLN A 85 3.082 1.848 -11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.881 0.165 -11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.565 -0.319 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.134 2.026 -13.867 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.570 2.402 -12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.460 1.478 -11.272 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.706 0.728 -12.276 1.00 0.00 H new ATOM 830 N GLY A 86 2.589 0.618 -14.648 1.00 0.00 N ATOM 831 CA GLY A 86 2.094 0.936 -15.981 1.00 0.00 C ATOM 832 C GLY A 86 0.628 1.358 -16.015 1.00 0.00 C ATOM 833 O GLY A 86 0.151 1.861 -17.034 1.00 0.00 O ATOM 0 H GLY A 86 2.939 -0.334 -14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.702 1.737 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.226 0.065 -16.623 1.00 0.00 H new ATOM 837 N SER A 87 -0.100 1.128 -14.926 1.00 0.00 N ATOM 838 CA SER A 87 -1.505 1.524 -14.846 1.00 0.00 C ATOM 839 C SER A 87 -1.675 2.875 -14.142 1.00 0.00 C ATOM 840 O SER A 87 -1.973 3.887 -14.783 1.00 0.00 O ATOM 841 CB SER A 87 -2.316 0.442 -14.128 1.00 0.00 C ATOM 842 OG SER A 87 -2.206 -0.803 -14.797 1.00 0.00 O ATOM 0 H SER A 87 0.258 0.670 -14.088 1.00 0.00 H new ATOM 0 HA SER A 87 -1.878 1.636 -15.864 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.964 0.340 -13.102 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.363 0.741 -14.078 1.00 0.00 H new ATOM 0 HG SER A 87 -1.268 -1.086 -14.810 1.00 0.00 H new ATOM 848 N LEU A 88 -1.455 2.889 -12.826 1.00 0.00 N ATOM 849 CA LEU A 88 -1.703 4.078 -12.004 1.00 0.00 C ATOM 850 C LEU A 88 -0.923 5.283 -12.521 1.00 0.00 C ATOM 851 O LEU A 88 -1.501 6.330 -12.819 1.00 0.00 O ATOM 852 CB LEU A 88 -1.329 3.822 -10.531 1.00 0.00 C ATOM 853 CG LEU A 88 -2.325 2.973 -9.716 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.427 1.557 -10.261 1.00 0.00 C ATOM 855 CD2 LEU A 88 -1.930 2.950 -8.242 1.00 0.00 C ATOM 0 H LEU A 88 -1.104 2.087 -12.303 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.769 4.294 -12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.357 3.330 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.212 4.785 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.307 3.437 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.138 0.987 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.768 1.589 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.449 1.078 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.645 2.346 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.933 2.521 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.929 3.967 -7.850 1.00 0.00 H new ATOM 867 N PHE A 89 0.382 5.119 -12.646 1.00 0.00 N ATOM 868 CA PHE A 89 1.266 6.230 -12.987 1.00 0.00 C ATOM 869 C PHE A 89 1.097 6.647 -14.443 1.00 0.00 C ATOM 870 O PHE A 89 1.538 7.727 -14.841 1.00 0.00 O ATOM 871 CB PHE A 89 2.714 5.861 -12.667 1.00 0.00 C ATOM 872 CG PHE A 89 2.897 5.521 -11.211 1.00 0.00 C ATOM 873 CD1 PHE A 89 3.033 6.526 -10.263 1.00 0.00 C ATOM 874 CD2 PHE A 89 2.908 4.202 -10.787 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.180 6.218 -8.926 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.052 3.890 -9.453 1.00 0.00 C ATOM 877 CZ PHE A 89 3.190 4.899 -8.521 1.00 0.00 C ATOM 0 H PHE A 89 0.858 4.226 -12.517 1.00 0.00 H new ATOM 0 HA PHE A 89 0.992 7.093 -12.380 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.016 5.011 -13.279 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.368 6.692 -12.931 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.024 7.560 -10.575 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.802 3.408 -11.512 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.287 7.008 -8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.057 2.857 -9.137 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.306 4.656 -7.475 1.00 0.00 H new ATOM 887 N ASN A 90 0.440 5.796 -15.228 1.00 0.00 N ATOM 888 CA ASN A 90 0.060 6.148 -16.594 1.00 0.00 C ATOM 889 C ASN A 90 -1.180 7.037 -16.561 1.00 0.00 C ATOM 890 O ASN A 90 -1.349 7.929 -17.393 1.00 0.00 O ATOM 891 CB ASN A 90 -0.215 4.886 -17.426 1.00 0.00 C ATOM 892 CG ASN A 90 -0.571 5.200 -18.873 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.107 6.191 -19.440 1.00 0.00 O ATOM 894 ND2 ASN A 90 -1.395 4.358 -19.480 1.00 0.00 N ATOM 0 H ASN A 90 0.160 4.858 -14.942 1.00 0.00 H new ATOM 0 HA ASN A 90 0.883 6.688 -17.061 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.665 4.243 -17.404 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.031 4.326 -16.969 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.666 4.520 -20.450 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.758 3.548 -18.977 1.00 0.00 H new ATOM 901 N ALA A 91 -2.034 6.790 -15.566 1.00 0.00 N ATOM 902 CA ALA A 91 -3.248 7.579 -15.357 1.00 0.00 C ATOM 903 C ALA A 91 -2.977 8.745 -14.404 1.00 0.00 C ATOM 904 O ALA A 91 -3.908 9.397 -13.919 1.00 0.00 O ATOM 905 CB ALA A 91 -4.365 6.688 -14.822 1.00 0.00 C ATOM 0 H ALA A 91 -1.904 6.041 -14.886 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.565 7.995 -16.313 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.265 7.284 -14.670 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.573 5.895 -15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.057 6.248 -13.874 1.00 0.00 H new ATOM 911 N ASN A 92 -1.690 8.990 -14.135 1.00 0.00 N ATOM 912 CA ASN A 92 -1.235 10.139 -13.338 1.00 0.00 C ATOM 913 C ASN A 92 -1.546 9.982 -11.846 1.00 0.00 C ATOM 914 O ASN A 92 -1.663 10.975 -11.122 1.00 0.00 O ATOM 915 CB ASN A 92 -1.816 11.462 -13.877 1.00 0.00 C ATOM 916 CG ASN A 92 -1.212 11.860 -15.214 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.191 12.550 -15.266 1.00 0.00 O ATOM 918 ND2 ASN A 92 -1.838 11.439 -16.305 1.00 0.00 N ATOM 0 H ASN A 92 -0.930 8.395 -14.465 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.150 10.171 -13.438 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.896 11.364 -13.985 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.639 12.256 -13.151 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.477 11.685 -17.227 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.680 10.870 -16.222 1.00 0.00 H new ATOM 925 N TYR A 93 -1.662 8.743 -11.382 1.00 0.00 N ATOM 926 CA TYR A 93 -1.773 8.475 -9.947 1.00 0.00 C ATOM 927 C TYR A 93 -0.382 8.479 -9.315 1.00 0.00 C ATOM 928 O TYR A 93 0.233 7.423 -9.136 1.00 0.00 O ATOM 929 CB TYR A 93 -2.462 7.127 -9.675 1.00 0.00 C ATOM 930 CG TYR A 93 -3.951 7.104 -9.971 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.423 7.163 -11.274 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.880 7.011 -8.939 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.779 7.132 -11.543 1.00 0.00 C ATOM 934 CE2 TYR A 93 -6.237 6.979 -9.202 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.682 7.041 -10.507 1.00 0.00 C ATOM 936 OH TYR A 93 -8.034 7.004 -10.776 1.00 0.00 O ATOM 0 H TYR A 93 -1.682 7.911 -11.972 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.385 9.260 -9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.974 6.358 -10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.309 6.861 -8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.720 7.234 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.536 6.963 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.129 7.179 -12.564 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.945 6.906 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.533 6.938 -9.935 1.00 0.00 H new ATOM 946 N ASP A 94 0.126 9.671 -9.015 1.00 0.00 N ATOM 947 CA ASP A 94 1.439 9.812 -8.389 1.00 0.00 C ATOM 948 C ASP A 94 1.347 9.468 -6.903 1.00 0.00 C ATOM 949 O ASP A 94 1.184 10.346 -6.052 1.00 0.00 O ATOM 950 CB ASP A 94 1.988 11.235 -8.592 1.00 0.00 C ATOM 951 CG ASP A 94 3.413 11.401 -8.076 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.297 10.609 -8.482 1.00 0.00 O ATOM 953 OD2 ASP A 94 3.667 12.331 -7.278 1.00 0.00 O ATOM 0 H ASP A 94 -0.351 10.554 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 94 2.132 9.117 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.960 11.482 -9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.337 11.946 -8.083 1.00 0.00 H new ATOM 958 N VAL A 95 1.400 8.171 -6.611 1.00 0.00 N ATOM 959 CA VAL A 95 1.271 7.663 -5.246 1.00 0.00 C ATOM 960 C VAL A 95 2.616 7.129 -4.747 1.00 0.00 C ATOM 961 O VAL A 95 3.537 6.901 -5.545 1.00 0.00 O ATOM 962 CB VAL A 95 0.211 6.525 -5.172 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.077 6.929 -5.891 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.762 5.216 -5.743 1.00 0.00 C ATOM 0 H VAL A 95 1.533 7.442 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 95 0.948 8.490 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.024 6.360 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.801 6.117 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.490 7.822 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.859 7.136 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.001 4.441 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.041 5.363 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.639 4.911 -5.172 1.00 0.00 H new ATOM 974 N GLN A 96 2.734 6.908 -3.438 1.00 0.00 N ATOM 975 CA GLN A 96 3.939 6.296 -2.890 1.00 0.00 C ATOM 976 C GLN A 96 3.659 4.831 -2.606 1.00 0.00 C ATOM 977 O GLN A 96 2.603 4.488 -2.082 1.00 0.00 O ATOM 978 CB GLN A 96 4.416 7.016 -1.617 1.00 0.00 C ATOM 979 CG GLN A 96 5.744 6.485 -1.052 1.00 0.00 C ATOM 980 CD GLN A 96 6.926 6.645 -2.008 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.770 6.598 -3.225 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.123 6.829 -1.463 1.00 0.00 N ATOM 0 H GLN A 96 2.020 7.140 -2.748 1.00 0.00 H new ATOM 0 HA GLN A 96 4.742 6.384 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.525 8.079 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.646 6.924 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.967 7.007 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.628 5.430 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.222 6.864 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.944 6.936 -2.059 1.00 0.00 H new ATOM 991 N ARG A 97 4.595 3.970 -2.960 1.00 0.00 N ATOM 992 CA ARG A 97 4.372 2.534 -2.879 1.00 0.00 C ATOM 993 C ARG A 97 5.684 1.813 -2.620 1.00 0.00 C ATOM 994 O ARG A 97 6.728 2.203 -3.146 1.00 0.00 O ATOM 995 CB ARG A 97 3.734 2.010 -4.183 1.00 0.00 C ATOM 996 CG ARG A 97 4.646 2.088 -5.414 1.00 0.00 C ATOM 997 CD ARG A 97 4.985 3.528 -5.798 1.00 0.00 C ATOM 998 NE ARG A 97 6.005 3.596 -6.846 1.00 0.00 N ATOM 999 CZ ARG A 97 6.402 4.725 -7.436 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.849 5.893 -7.111 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.354 4.678 -8.359 1.00 0.00 N ATOM 0 H ARG A 97 5.517 4.237 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 97 3.689 2.339 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.434 0.973 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.826 2.579 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.568 1.541 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.159 1.596 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.082 4.033 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.336 4.064 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 97 6.441 2.723 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.114 5.930 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.161 6.750 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.776 3.784 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.664 5.536 -8.816 1.00 0.00 H new ATOM 1015 N PHE A 98 5.629 0.769 -1.806 1.00 0.00 N ATOM 1016 CA PHE A 98 6.798 -0.061 -1.542 1.00 0.00 C ATOM 1017 C PHE A 98 6.446 -1.521 -1.802 1.00 0.00 C ATOM 1018 O PHE A 98 5.432 -2.027 -1.301 1.00 0.00 O ATOM 1019 CB PHE A 98 7.295 0.109 -0.092 1.00 0.00 C ATOM 1020 CG PHE A 98 7.552 1.539 0.322 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.329 2.381 -0.462 1.00 0.00 C ATOM 1022 CD2 PHE A 98 7.012 2.042 1.499 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.558 3.690 -0.081 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.241 3.349 1.883 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.014 4.175 1.092 1.00 0.00 C ATOM 0 H PHE A 98 4.785 0.475 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 98 7.602 0.254 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.558 -0.324 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.215 -0.462 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.759 2.009 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.405 1.402 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.163 4.334 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.815 3.725 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.193 5.198 1.390 1.00 0.00 H new ATOM 1035 N ILE A 99 7.258 -2.187 -2.617 1.00 0.00 N ATOM 1036 CA ILE A 99 7.099 -3.613 -2.836 1.00 0.00 C ATOM 1037 C ILE A 99 7.882 -4.375 -1.765 1.00 0.00 C ATOM 1038 O ILE A 99 9.063 -4.696 -1.921 1.00 0.00 O ATOM 1039 CB ILE A 99 7.539 -4.039 -4.268 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.431 -5.567 -4.441 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.951 -3.543 -4.588 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.773 -6.054 -5.838 1.00 0.00 C ATOM 0 H ILE A 99 8.028 -1.761 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 99 6.040 -3.860 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 99 6.860 -3.570 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.095 -6.052 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.416 -5.880 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.228 -3.857 -5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.977 -2.455 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.656 -3.963 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.674 -7.139 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.093 -5.599 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.798 -5.774 -6.080 1.00 0.00 H new ATOM 1054 N VAL A 100 7.209 -4.615 -0.653 1.00 0.00 N ATOM 1055 CA VAL A 100 7.784 -5.315 0.484 1.00 0.00 C ATOM 1056 C VAL A 100 6.728 -6.248 1.047 1.00 0.00 C ATOM 1057 O VAL A 100 5.573 -5.853 1.206 1.00 0.00 O ATOM 1058 CB VAL A 100 8.285 -4.327 1.577 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.153 -3.423 2.071 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.933 -5.078 2.742 1.00 0.00 C ATOM 0 H VAL A 100 6.241 -4.328 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 100 8.654 -5.882 0.155 1.00 0.00 H new ATOM 0 HB VAL A 100 9.044 -3.690 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.536 -2.745 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.759 -2.844 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.358 -4.035 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.274 -4.363 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.204 -5.753 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.783 -5.653 2.376 1.00 0.00 H new ATOM 1070 N GLY A 101 7.117 -7.479 1.337 1.00 0.00 N ATOM 1071 CA GLY A 101 6.137 -8.502 1.632 1.00 0.00 C ATOM 1072 C GLY A 101 5.915 -9.378 0.421 1.00 0.00 C ATOM 1073 O GLY A 101 5.301 -8.947 -0.550 1.00 0.00 O ATOM 0 H GLY A 101 8.089 -7.787 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.476 -9.109 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.197 -8.039 1.932 1.00 0.00 H new ATOM 1077 N SER A 102 6.467 -10.584 0.459 1.00 0.00 N ATOM 1078 CA SER A 102 6.466 -11.501 -0.679 1.00 0.00 C ATOM 1079 C SER A 102 5.151 -11.466 -1.479 1.00 0.00 C ATOM 1080 O SER A 102 5.165 -11.289 -2.698 1.00 0.00 O ATOM 1081 CB SER A 102 6.752 -12.920 -0.173 1.00 0.00 C ATOM 1082 OG SER A 102 5.960 -13.226 0.966 1.00 0.00 O ATOM 0 H SER A 102 6.932 -10.958 1.286 1.00 0.00 H new ATOM 0 HA SER A 102 7.246 -11.179 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.548 -13.640 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.808 -13.014 0.079 1.00 0.00 H new ATOM 0 HG SER A 102 6.160 -14.137 1.268 1.00 0.00 H new ATOM 1088 N ASP A 103 4.023 -11.621 -0.790 1.00 0.00 N ATOM 1089 CA ASP A 103 2.712 -11.702 -1.449 1.00 0.00 C ATOM 1090 C ASP A 103 1.930 -10.385 -1.350 1.00 0.00 C ATOM 1091 O ASP A 103 0.751 -10.331 -1.726 1.00 0.00 O ATOM 1092 CB ASP A 103 1.888 -12.837 -0.824 1.00 0.00 C ATOM 1093 CG ASP A 103 1.547 -12.582 0.639 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.479 -12.549 1.471 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.350 -12.411 0.961 1.00 0.00 O ATOM 0 H ASP A 103 3.986 -11.694 0.227 1.00 0.00 H new ATOM 0 HA ASP A 103 2.889 -11.902 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.966 -12.965 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.444 -13.771 -0.905 1.00 0.00 H new ATOM 1100 N ARG A 104 2.575 -9.326 -0.855 1.00 0.00 N ATOM 1101 CA ARG A 104 1.871 -8.083 -0.515 1.00 0.00 C ATOM 1102 C ARG A 104 2.631 -6.831 -0.970 1.00 0.00 C ATOM 1103 O ARG A 104 3.856 -6.767 -0.898 1.00 0.00 O ATOM 1104 CB ARG A 104 1.638 -8.042 1.004 1.00 0.00 C ATOM 1105 CG ARG A 104 0.890 -9.269 1.502 1.00 0.00 C ATOM 1106 CD ARG A 104 0.855 -9.397 3.015 1.00 0.00 C ATOM 1107 NE ARG A 104 0.244 -10.674 3.391 1.00 0.00 N ATOM 1108 CZ ARG A 104 -0.508 -10.869 4.471 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -0.668 -9.902 5.366 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -1.082 -12.048 4.668 1.00 0.00 N ATOM 0 H ARG A 104 3.580 -9.302 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 104 0.919 -8.079 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.598 -7.971 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.073 -7.145 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.133 -9.236 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.355 -10.161 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.866 -9.335 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.289 -8.571 3.446 1.00 0.00 H new ATOM 0 HE ARG A 104 0.407 -11.474 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.212 -9.000 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.247 -10.061 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.946 -12.801 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.659 -12.202 5.495 1.00 0.00 H new ATOM 1124 N ALA A 105 1.880 -5.849 -1.458 1.00 0.00 N ATOM 1125 CA ALA A 105 2.419 -4.532 -1.808 1.00 0.00 C ATOM 1126 C ALA A 105 1.748 -3.457 -0.950 1.00 0.00 C ATOM 1127 O ALA A 105 0.559 -3.572 -0.640 1.00 0.00 O ATOM 1128 CB ALA A 105 2.195 -4.249 -3.289 1.00 0.00 C ATOM 0 H ALA A 105 0.878 -5.941 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 105 3.492 -4.520 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.600 -3.268 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.698 -5.010 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.127 -4.266 -3.505 1.00 0.00 H new ATOM 1134 N ILE A 106 2.494 -2.422 -0.550 1.00 0.00 N ATOM 1135 CA ILE A 106 1.925 -1.353 0.280 1.00 0.00 C ATOM 1136 C ILE A 106 1.849 -0.026 -0.488 1.00 0.00 C ATOM 1137 O ILE A 106 2.767 0.323 -1.239 1.00 0.00 O ATOM 1138 CB ILE A 106 2.730 -1.161 1.594 1.00 0.00 C ATOM 1139 CG1 ILE A 106 2.096 -0.058 2.456 1.00 0.00 C ATOM 1140 CG2 ILE A 106 4.194 -0.843 1.300 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.857 0.240 3.727 1.00 0.00 C ATOM 0 H ILE A 106 3.480 -2.301 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 106 0.912 -1.660 0.540 1.00 0.00 H new ATOM 0 HB ILE A 106 2.697 -2.097 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.024 0.855 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.079 -0.352 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.734 -0.714 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.638 -1.663 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.257 0.075 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.347 1.029 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.907 -0.660 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.867 0.566 3.478 1.00 0.00 H new ATOM 1153 N PHE A 107 0.741 0.699 -0.295 1.00 0.00 N ATOM 1154 CA PHE A 107 0.491 1.977 -0.977 1.00 0.00 C ATOM 1155 C PHE A 107 0.114 3.066 0.031 1.00 0.00 C ATOM 1156 O PHE A 107 -0.640 2.815 0.974 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.639 1.827 -2.015 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.223 1.151 -3.300 1.00 0.00 C ATOM 1159 CD1 PHE A 107 0.134 -0.190 -3.315 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.196 1.860 -4.495 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.511 -0.805 -4.491 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.179 1.245 -5.673 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.534 -0.087 -5.672 1.00 0.00 C ATOM 0 H PHE A 107 -0.008 0.418 0.338 1.00 0.00 H new ATOM 0 HA PHE A 107 1.410 2.267 -1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.454 1.258 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.033 2.816 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.117 -0.758 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.472 2.904 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.789 -1.849 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.194 1.807 -6.595 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.830 -0.569 -6.592 1.00 0.00 H new ATOM 1173 N MET A 108 0.630 4.277 -0.182 1.00 0.00 N ATOM 1174 CA MET A 108 0.344 5.420 0.684 1.00 0.00 C ATOM 1175 C MET A 108 0.038 6.662 -0.152 1.00 0.00 C ATOM 1176 O MET A 108 0.652 6.891 -1.209 1.00 0.00 O ATOM 1177 CB MET A 108 1.522 5.722 1.628 1.00 0.00 C ATOM 1178 CG MET A 108 1.814 4.632 2.657 1.00 0.00 C ATOM 1179 SD MET A 108 2.481 3.127 1.923 1.00 0.00 S ATOM 1180 CE MET A 108 3.952 3.758 1.121 1.00 0.00 C ATOM 0 H MET A 108 1.256 4.492 -0.958 1.00 0.00 H new ATOM 0 HA MET A 108 -0.527 5.160 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.417 5.885 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.317 6.654 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.522 5.015 3.392 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.896 4.392 3.193 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.546 2.926 0.744 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.665 4.404 0.291 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.541 4.329 1.839 1.00 0.00 H new ATOM 1190 N LEU A 109 -0.906 7.462 0.343 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.315 8.707 -0.296 1.00 0.00 C ATOM 1192 C LEU A 109 -1.515 9.799 0.749 1.00 0.00 C ATOM 1193 O LEU A 109 -1.840 9.519 1.905 1.00 0.00 O ATOM 1194 CB LEU A 109 -2.618 8.506 -1.094 1.00 0.00 C ATOM 1195 CG LEU A 109 -2.439 8.078 -2.557 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.779 7.677 -3.177 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -1.786 9.206 -3.356 1.00 0.00 C ATOM 0 H LEU A 109 -1.411 7.260 1.206 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.525 9.011 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.222 7.755 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.183 9.438 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.786 7.206 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.625 7.378 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.204 6.843 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.464 8.524 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.663 8.893 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.418 10.093 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.810 9.437 -2.928 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.316 11.042 0.328 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.539 12.199 1.192 1.00 0.00 C ATOM 1211 C ARG A 110 -3.005 12.621 1.156 1.00 0.00 C ATOM 1212 O ARG A 110 -3.550 13.088 2.156 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.626 13.371 0.774 1.00 0.00 C ATOM 1214 CG ARG A 110 0.627 13.515 1.634 1.00 0.00 C ATOM 1215 CD ARG A 110 0.284 14.020 3.034 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.306 15.365 2.993 1.00 0.00 N ATOM 1217 CZ ARG A 110 -1.455 15.707 3.587 1.00 0.00 C ATOM 1218 NH1 ARG A 110 -2.177 14.790 4.217 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.891 16.959 3.524 1.00 0.00 N ATOM 0 H ARG A 110 -0.999 11.277 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.289 11.917 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.328 13.234 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.197 14.298 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.134 12.553 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.321 14.206 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.413 13.330 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.185 14.036 3.647 1.00 0.00 H new ATOM 0 HE ARG A 110 0.195 16.088 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.857 13.822 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.053 15.053 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.350 17.663 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.767 17.217 3.978 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.637 12.437 0.002 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.042 12.794 -0.183 1.00 0.00 C ATOM 1235 C ASP A 111 -5.881 11.538 -0.384 1.00 0.00 C ATOM 1236 O ASP A 111 -5.382 10.519 -0.863 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.207 13.737 -1.384 1.00 0.00 C ATOM 1238 CG ASP A 111 -4.506 15.072 -1.180 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -3.308 15.184 -1.525 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -5.146 16.018 -0.669 1.00 0.00 O ATOM 0 H ASP A 111 -3.195 12.039 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.387 13.311 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.810 13.255 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.268 13.911 -1.561 1.00 0.00 H new ATOM 1245 N GLY A 112 -7.157 11.617 -0.017 1.00 0.00 N ATOM 1246 CA GLY A 112 -8.047 10.471 -0.127 1.00 0.00 C ATOM 1247 C GLY A 112 -9.208 10.727 -1.068 1.00 0.00 C ATOM 1248 O GLY A 112 -10.278 10.132 -0.922 1.00 0.00 O ATOM 0 H GLY A 112 -7.594 12.459 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.482 9.608 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.433 10.218 0.861 1.00 0.00 H new ATOM 1252 N SER A 113 -8.995 11.612 -2.038 1.00 0.00 N ATOM 1253 CA SER A 113 -10.029 11.962 -3.007 1.00 0.00 C ATOM 1254 C SER A 113 -10.369 10.758 -3.896 1.00 0.00 C ATOM 1255 O SER A 113 -11.443 10.169 -3.782 1.00 0.00 O ATOM 1256 CB SER A 113 -9.551 13.141 -3.861 1.00 0.00 C ATOM 1257 OG SER A 113 -8.969 14.149 -3.048 1.00 0.00 O ATOM 0 H SER A 113 -8.111 12.102 -2.174 1.00 0.00 H new ATOM 0 HA SER A 113 -10.934 12.251 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.823 12.793 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.391 13.557 -4.418 1.00 0.00 H new ATOM 0 HG SER A 113 -8.669 14.892 -3.612 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.424 10.382 -4.753 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.602 9.247 -5.667 1.00 0.00 C ATOM 1265 C TYR A 114 -9.217 7.921 -4.993 1.00 0.00 C ATOM 1266 O TYR A 114 -8.878 6.945 -5.664 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.796 9.464 -6.967 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.307 9.772 -6.795 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.659 9.662 -5.565 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.547 10.177 -7.893 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.312 9.945 -5.437 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.201 10.458 -7.770 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.589 10.342 -6.541 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.247 10.620 -6.415 1.00 0.00 O ATOM 0 H TYR A 114 -8.520 10.847 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.659 9.187 -5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.892 8.570 -7.583 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.254 10.283 -7.521 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.220 9.350 -4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.021 10.273 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.828 9.855 -4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.630 10.767 -8.633 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.885 10.885 -7.286 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.315 7.896 -3.663 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.909 6.741 -2.863 1.00 0.00 C ATOM 1286 C ALA A 115 -9.748 5.508 -3.181 1.00 0.00 C ATOM 1287 O ALA A 115 -9.239 4.387 -3.229 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.025 7.070 -1.380 1.00 0.00 C ATOM 0 H ALA A 115 -9.677 8.674 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.872 6.515 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.721 6.205 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.379 7.916 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.058 7.325 -1.144 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.033 5.721 -3.397 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.968 4.622 -3.592 1.00 0.00 C ATOM 1296 C TRP A 116 -11.840 4.061 -5.003 1.00 0.00 C ATOM 1297 O TRP A 116 -12.014 2.864 -5.226 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.394 5.107 -3.296 1.00 0.00 C ATOM 1299 CG TRP A 116 -13.446 5.944 -2.049 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -13.928 7.217 -1.928 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -12.941 5.581 -0.755 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -13.756 7.663 -0.639 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -13.156 6.677 0.098 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.333 4.432 -0.235 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -12.780 6.662 1.439 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -11.959 4.419 1.094 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.182 5.529 1.918 1.00 0.00 C ATOM 0 H TRP A 116 -11.457 6.648 -3.442 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.734 3.812 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.764 5.688 -4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.056 4.248 -3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -14.378 7.788 -2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -14.031 8.580 -0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.160 3.570 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -12.954 7.515 2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.487 3.539 1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -11.876 5.490 2.953 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.490 4.933 -5.941 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.267 4.536 -7.326 1.00 0.00 C ATOM 1320 C GLU A 117 -10.025 3.647 -7.428 1.00 0.00 C ATOM 1321 O GLU A 117 -10.072 2.553 -8.003 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.116 5.781 -8.218 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.409 6.579 -8.408 1.00 0.00 C ATOM 1324 CD GLU A 117 -13.061 7.006 -7.099 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -12.503 7.884 -6.408 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -14.129 6.457 -6.748 1.00 0.00 O ATOM 0 H GLU A 117 -11.354 5.928 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.129 3.966 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.359 6.435 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.747 5.471 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.194 7.466 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.117 5.977 -8.977 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.913 4.113 -6.851 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.677 3.335 -6.842 1.00 0.00 C ATOM 1335 C ILE A 118 -7.884 2.033 -6.064 1.00 0.00 C ATOM 1336 O ILE A 118 -7.386 0.980 -6.458 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.477 4.136 -6.253 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.192 3.288 -6.266 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.779 4.624 -4.841 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -3.991 3.983 -5.650 1.00 0.00 C ATOM 0 H ILE A 118 -8.846 5.019 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.428 3.104 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.320 5.009 -6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.377 2.358 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.956 3.020 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.923 5.179 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.654 5.274 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.976 3.769 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.125 3.323 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.779 4.899 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.206 4.227 -4.610 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.653 2.111 -4.976 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.016 0.930 -4.193 1.00 0.00 C ATOM 1354 C LYS A 119 -9.706 -0.105 -5.083 1.00 0.00 C ATOM 1355 O LYS A 119 -9.312 -1.279 -5.116 1.00 0.00 O ATOM 1356 CB LYS A 119 -9.918 1.339 -3.005 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.641 0.181 -2.302 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.022 -0.081 -2.911 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.672 -1.339 -2.354 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.972 -1.625 -3.017 1.00 0.00 N ATOM 0 H LYS A 119 -9.038 2.985 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.111 0.475 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.307 1.864 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.665 2.048 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.035 -0.722 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.749 0.410 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.669 0.775 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.928 -0.173 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.000 -2.186 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.828 -1.224 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.012 -2.629 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.751 -1.410 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.064 -1.036 -3.869 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.730 0.338 -5.811 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.476 -0.552 -6.695 1.00 0.00 C ATOM 1376 C ASP A 120 -10.570 -1.112 -7.783 1.00 0.00 C ATOM 1377 O ASP A 120 -10.717 -2.268 -8.195 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.686 0.156 -7.320 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.809 0.395 -6.317 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.107 -0.526 -5.520 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -14.413 1.487 -6.337 1.00 0.00 O ATOM 0 H ASP A 120 -11.060 1.303 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 120 -11.849 -1.378 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.367 1.111 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.065 -0.443 -8.148 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.600 -0.313 -8.217 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.664 -0.766 -9.232 1.00 0.00 C ATOM 1388 C PHE A 121 -7.782 -1.873 -8.663 1.00 0.00 C ATOM 1389 O PHE A 121 -7.524 -2.875 -9.325 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.793 0.391 -9.738 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.756 -0.053 -10.739 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.067 -0.148 -12.087 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.477 -0.400 -10.326 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.125 -0.580 -12.999 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.534 -0.828 -11.236 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.859 -0.920 -12.573 1.00 0.00 C ATOM 0 H PHE A 121 -9.445 0.639 -7.885 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.235 -1.153 -10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.431 1.148 -10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.295 0.863 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.057 0.119 -12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.218 -0.334 -9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.380 -0.652 -14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.541 -1.091 -10.902 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.122 -1.258 -13.286 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.324 -1.681 -7.429 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.476 -2.659 -6.760 1.00 0.00 C ATOM 1408 C LEU A 122 -7.207 -3.992 -6.605 1.00 0.00 C ATOM 1409 O LEU A 122 -6.621 -5.053 -6.822 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.020 -2.134 -5.390 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.133 -0.875 -5.432 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -4.770 -0.413 -4.023 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -3.872 -1.128 -6.258 1.00 0.00 C ATOM 0 H LEU A 122 -7.528 -0.852 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.593 -2.822 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.903 -1.917 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.474 -2.927 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.703 -0.079 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.144 0.477 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.680 -0.180 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.226 -1.206 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.261 -0.226 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.303 -1.944 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.152 -1.395 -7.277 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.493 -3.939 -6.245 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.289 -5.161 -6.085 1.00 0.00 C ATOM 1427 C VAL A 123 -9.750 -5.706 -7.443 1.00 0.00 C ATOM 1428 O VAL A 123 -10.157 -6.866 -7.547 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.516 -4.949 -5.157 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.078 -4.430 -3.790 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -11.538 -4.011 -5.797 1.00 0.00 C ATOM 0 H VAL A 123 -9.001 -3.074 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 123 -8.635 -5.894 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 123 -10.999 -5.916 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -10.954 -4.289 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.406 -5.152 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.561 -3.478 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.385 -3.882 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.075 -3.043 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -11.884 -4.438 -6.738 1.00 0.00 H new ATOM 1441 N SER A 124 -9.666 -4.867 -8.478 1.00 0.00 N ATOM 1442 CA SER A 124 -10.014 -5.254 -9.853 1.00 0.00 C ATOM 1443 C SER A 124 -9.075 -6.340 -10.420 1.00 0.00 C ATOM 1444 O SER A 124 -9.223 -6.755 -11.574 1.00 0.00 O ATOM 1445 CB SER A 124 -9.997 -4.009 -10.757 1.00 0.00 C ATOM 1446 OG SER A 124 -10.379 -4.316 -12.089 1.00 0.00 O ATOM 0 H SER A 124 -9.355 -3.900 -8.390 1.00 0.00 H new ATOM 0 HA SER A 124 -11.015 -5.685 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.672 -3.256 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.997 -3.574 -10.757 1.00 0.00 H new ATOM 0 HG SER A 124 -10.100 -5.230 -12.307 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.127 -6.812 -9.612 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.139 -7.781 -10.082 1.00 0.00 C ATOM 1454 C GLN A 125 -7.700 -9.197 -9.979 1.00 0.00 C ATOM 1455 O GLN A 125 -7.727 -9.800 -8.903 1.00 0.00 O ATOM 1456 CB GLN A 125 -5.814 -7.637 -9.320 1.00 0.00 C ATOM 1457 CG GLN A 125 -4.840 -6.670 -9.983 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.459 -5.320 -10.291 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -5.321 -4.386 -9.368 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -6.035 -5.112 -11.358 1.00 0.00 N flip ATOM 0 H GLN A 125 -8.022 -6.541 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.925 -7.579 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.021 -7.295 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -5.343 -8.616 -9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -3.978 -6.528 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.470 -7.113 -10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -6.121 -5.860 -12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.427 -4.191 -11.555 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.181 -9.684 -11.121 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.855 -10.979 -11.240 1.00 0.00 C ATOM 1471 C ASP A 126 -8.127 -12.118 -10.517 1.00 0.00 C ATOM 1472 O ASP A 126 -8.747 -12.851 -9.741 1.00 0.00 O ATOM 1473 CB ASP A 126 -9.032 -11.338 -12.720 1.00 0.00 C ATOM 1474 CG ASP A 126 -9.631 -12.721 -12.918 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -10.850 -12.886 -12.700 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -8.886 -13.651 -13.289 1.00 0.00 O ATOM 0 H ASP A 126 -8.113 -9.182 -12.006 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.824 -10.869 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -9.674 -10.597 -13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.065 -11.290 -13.220 1.00 0.00 H new ATOM 1481 N ARG A 127 -6.828 -12.273 -10.782 1.00 0.00 N ATOM 1482 CA ARG A 127 -6.070 -13.406 -10.242 1.00 0.00 C ATOM 1483 C ARG A 127 -6.170 -13.471 -8.718 1.00 0.00 C ATOM 1484 O ARG A 127 -6.406 -14.539 -8.147 1.00 0.00 O ATOM 1485 CB ARG A 127 -4.592 -13.340 -10.670 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.389 -13.367 -12.183 1.00 0.00 C ATOM 1487 CD ARG A 127 -2.993 -13.850 -12.572 1.00 0.00 C ATOM 1488 NE ARG A 127 -1.921 -12.967 -12.097 1.00 0.00 N ATOM 1489 CZ ARG A 127 -0.793 -13.401 -11.523 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -0.634 -14.689 -11.249 1.00 0.00 N ATOM 1491 NH2 ARG A 127 0.172 -12.545 -11.212 1.00 0.00 N ATOM 0 H ARG A 127 -6.282 -11.635 -11.362 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.513 -14.313 -10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -4.147 -12.429 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.056 -14.179 -10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.136 -14.019 -12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.551 -12.368 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.836 -14.850 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.933 -13.931 -13.657 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.043 -11.961 -12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.374 -15.354 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.228 -15.015 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.056 -11.551 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.030 -12.881 -10.775 1.00 0.00 H new ATOM 1505 N CYS A 128 -6.021 -12.316 -8.074 1.00 0.00 N ATOM 1506 CA CYS A 128 -6.055 -12.221 -6.617 1.00 0.00 C ATOM 1507 C CYS A 128 -5.783 -10.783 -6.187 1.00 0.00 C ATOM 1508 O CYS A 128 -4.878 -10.138 -6.725 1.00 0.00 O ATOM 1509 CB CYS A 128 -5.009 -13.156 -5.996 1.00 0.00 C ATOM 1510 SG CYS A 128 -3.328 -12.873 -6.604 1.00 0.00 S ATOM 0 H CYS A 128 -5.874 -11.423 -8.545 1.00 0.00 H new ATOM 0 HA CYS A 128 -7.043 -12.521 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.020 -13.031 -4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.291 -14.189 -6.201 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.185 -11.619 -6.915 1.00 0.00 H new ATOM 1516 N ALA A 129 -6.561 -10.283 -5.226 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.405 -8.916 -4.740 1.00 0.00 C ATOM 1518 C ALA A 129 -7.260 -8.671 -3.500 1.00 0.00 C ATOM 1519 O ALA A 129 -8.491 -8.751 -3.556 1.00 0.00 O ATOM 1520 CB ALA A 129 -6.768 -7.917 -5.831 1.00 0.00 C ATOM 0 H ALA A 129 -7.307 -10.808 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.359 -8.777 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.646 -6.903 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.114 -8.064 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.804 -8.069 -6.133 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.600 -8.379 -2.385 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.281 -8.038 -1.140 1.00 0.00 C ATOM 1528 C GLU A 130 -6.573 -6.853 -0.487 1.00 0.00 C ATOM 1529 O GLU A 130 -5.355 -6.879 -0.297 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.296 -9.242 -0.185 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.153 -9.023 1.055 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.067 -10.170 2.051 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -8.592 -11.264 1.758 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.488 -9.975 3.141 1.00 0.00 O ATOM 0 H GLU A 130 -5.582 -8.372 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.314 -7.768 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.664 -10.117 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.274 -9.464 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.843 -8.100 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.192 -8.890 0.752 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.329 -5.813 -0.153 1.00 0.00 N ATOM 1542 CA VAL A 131 -6.753 -4.595 0.414 1.00 0.00 C ATOM 1543 C VAL A 131 -7.398 -4.266 1.760 1.00 0.00 C ATOM 1544 O VAL A 131 -8.593 -4.501 1.961 1.00 0.00 O ATOM 1545 CB VAL A 131 -6.915 -3.391 -0.554 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.390 -3.091 -0.825 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.196 -2.155 -0.015 1.00 0.00 C ATOM 0 H VAL A 131 -8.343 -5.787 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.689 -4.777 0.565 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.452 -3.664 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.470 -2.243 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.862 -3.964 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.891 -2.851 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.325 -1.326 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.616 -1.883 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.134 -2.372 0.098 1.00 0.00 H new ATOM 1557 N THR A 132 -6.596 -3.743 2.679 1.00 0.00 N ATOM 1558 CA THR A 132 -7.076 -3.318 3.988 1.00 0.00 C ATOM 1559 C THR A 132 -6.554 -1.914 4.294 1.00 0.00 C ATOM 1560 O THR A 132 -5.436 -1.566 3.901 1.00 0.00 O ATOM 1561 CB THR A 132 -6.618 -4.299 5.095 1.00 0.00 C ATOM 1562 OG1 THR A 132 -7.040 -5.633 4.772 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.183 -3.903 6.458 1.00 0.00 C ATOM 0 H THR A 132 -5.596 -3.602 2.538 1.00 0.00 H new ATOM 0 HA THR A 132 -8.166 -3.310 3.969 1.00 0.00 H new ATOM 0 HB THR A 132 -5.530 -4.258 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.746 -6.249 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.843 -4.612 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.838 -2.902 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.272 -3.912 6.417 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.360 -1.109 4.981 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.979 0.259 5.325 1.00 0.00 C ATOM 1573 C LEU A 133 -6.346 0.290 6.713 1.00 0.00 C ATOM 1574 O LEU A 133 -6.733 -0.483 7.593 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.216 1.174 5.309 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.047 1.152 4.014 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.270 2.060 4.138 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.195 1.560 2.816 1.00 0.00 C ATOM 0 H LEU A 133 -8.285 -1.382 5.312 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.258 0.615 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.864 0.893 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.890 2.198 5.492 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.394 0.131 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.842 2.028 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.896 1.717 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.946 3.083 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.804 1.537 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.811 2.568 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.361 0.866 2.710 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.369 1.167 6.909 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.801 1.376 8.236 1.00 0.00 C ATOM 1592 C GLU A 134 -5.707 2.338 9.009 1.00 0.00 C ATOM 1593 O GLU A 134 -6.226 3.300 8.437 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.366 1.932 8.137 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.409 1.410 9.210 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.892 1.655 10.632 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.577 2.727 11.194 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -3.594 0.774 11.184 1.00 0.00 O ATOM 0 H GLU A 134 -4.956 1.741 6.174 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.744 0.424 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.961 1.685 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.406 3.019 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.263 0.340 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.437 1.885 9.079 1.00 0.00 H new