USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 904 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 Single : A 1 ASP N :NH3+ 172:sc= 0 (180deg=-0.0844) USER MOD Single : A 5 SER OG : rot 101:sc= 1.3 USER MOD Single : A 6 SER OG : rot -82:sc= 0.412 USER MOD Single : A 8 MET CE :methyl -171:sc= -0.4 (180deg=-0.748) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 13 MET CE :methyl 155:sc= -0.0663 (180deg=-0.71) USER MOD Single : A 20 CYS SG : rot -100:sc= -1.95 USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0.297 (180deg=0.0697) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 6:sc= 0.38 USER MOD Single : A 29 ASN : amide:sc= -0.0498 K(o=-0.05,f=-2.3) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.16 K(o=1.2,f=-0.079) USER MOD Single : A 42 HIS : no HD1:sc= -0.791 X(o=-0.79,f=-1.2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 44:sc= 0.0976 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.7!) USER MOD Single : A 76 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 86 THR OG1 : rot 56:sc= 0.355 USER MOD Single : A 87 SER OG : rot 79:sc= 1.26 USER MOD Single : A 88 MET CE :methyl 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 91 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.8) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 94 GLN : amide:sc= -1.02 X(o=-1,f=-0.98) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 102 THR OG1 : rot 152:sc= -0.933! USER MOD Single : A 103 ASN : amide:sc= 0.0394 X(o=0.039,f=-0.017) USER MOD Single : A 104 ASN : amide:sc= -0.936 X(o=-0.94,f=-0.87) USER MOD Single : A 105 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 115 SER OG : rot 73:sc= 0.936 USER MOD Single : A 116 HIS : no HE2:sc= 0.29 K(o=0.29,f=-4!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -45.582 14.607 -3.286 1.00 6.24 N ATOM 2 CA ASP A 1 -45.899 13.504 -4.224 1.00 6.09 C ATOM 3 C ASP A 1 -45.315 12.177 -3.740 1.00 5.57 C ATOM 4 O ASP A 1 -46.039 11.330 -3.216 1.00 5.48 O ATOM 5 CB ASP A 1 -45.411 13.832 -5.645 1.00 6.38 C ATOM 6 CG ASP A 1 -44.009 14.404 -5.682 1.00 6.83 C ATOM 7 OD1 ASP A 1 -43.855 15.634 -5.552 1.00 7.06 O ATOM 8 OD2 ASP A 1 -43.054 13.620 -5.841 1.00 7.16 O ATOM 0 H1 ASP A 1 -45.872 15.513 -3.705 1.00 6.24 H new ATOM 0 H2 ASP A 1 -46.092 14.460 -2.392 1.00 6.24 H new ATOM 0 H3 ASP A 1 -44.559 14.623 -3.102 1.00 6.24 H new ATOM 0 HA ASP A 1 -46.983 13.398 -4.254 1.00 6.09 H new ATOM 0 HB2 ASP A 1 -45.442 12.926 -6.250 1.00 6.38 H new ATOM 0 HB3 ASP A 1 -46.098 14.544 -6.102 1.00 6.38 H new ATOM 15 N ILE A 2 -44.015 11.988 -3.912 1.00 5.46 N ATOM 16 CA ILE A 2 -43.372 10.747 -3.533 1.00 4.94 C ATOM 17 C ILE A 2 -42.144 11.027 -2.673 1.00 4.60 C ATOM 18 O ILE A 2 -41.088 11.395 -3.190 1.00 4.72 O ATOM 19 CB ILE A 2 -42.948 9.936 -4.779 1.00 4.98 C ATOM 20 CG1 ILE A 2 -44.116 9.809 -5.763 1.00 5.40 C ATOM 21 CG2 ILE A 2 -42.460 8.559 -4.366 1.00 4.52 C ATOM 22 CD1 ILE A 2 -43.757 9.096 -7.049 1.00 5.69 C ATOM 0 H ILE A 2 -43.386 12.684 -4.313 1.00 5.46 H new ATOM 0 HA ILE A 2 -44.093 10.162 -2.962 1.00 4.94 H new ATOM 0 HB ILE A 2 -42.134 10.465 -5.275 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -44.932 9.273 -5.277 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -44.487 10.806 -6.002 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -42.164 7.997 -5.252 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -41.604 8.661 -3.699 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -43.261 8.029 -3.851 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -44.634 9.045 -7.694 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -42.963 9.642 -7.559 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -43.415 8.086 -6.822 1.00 5.69 H new ATOM 34 N ASP A 3 -42.288 10.889 -1.361 1.00 4.29 N ATOM 35 CA ASP A 3 -41.154 11.036 -0.458 1.00 4.07 C ATOM 36 C ASP A 3 -40.209 9.856 -0.606 1.00 3.76 C ATOM 37 O ASP A 3 -40.403 8.807 0.003 1.00 3.50 O ATOM 38 CB ASP A 3 -41.605 11.145 0.999 1.00 3.99 C ATOM 39 CG ASP A 3 -40.427 11.193 1.953 1.00 4.25 C ATOM 40 OD1 ASP A 3 -39.776 12.256 2.047 1.00 4.60 O ATOM 41 OD2 ASP A 3 -40.135 10.162 2.596 1.00 4.39 O ATOM 0 H ASP A 3 -43.173 10.677 -0.901 1.00 4.29 H new ATOM 0 HA ASP A 3 -40.638 11.958 -0.727 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -42.211 12.042 1.125 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -42.239 10.294 1.248 1.00 3.99 H new ATOM 46 N GLU A 4 -39.201 10.025 -1.439 1.00 3.88 N ATOM 47 CA GLU A 4 -38.220 8.980 -1.671 1.00 3.72 C ATOM 48 C GLU A 4 -37.284 8.796 -0.481 1.00 3.64 C ATOM 49 O GLU A 4 -36.420 7.921 -0.496 1.00 3.58 O ATOM 50 CB GLU A 4 -37.438 9.268 -2.947 1.00 4.04 C ATOM 51 CG GLU A 4 -38.311 9.205 -4.185 1.00 4.23 C ATOM 52 CD GLU A 4 -37.524 9.383 -5.463 1.00 4.68 C ATOM 53 OE1 GLU A 4 -36.839 8.427 -5.882 1.00 4.67 O ATOM 54 OE2 GLU A 4 -37.594 10.472 -6.062 1.00 5.13 O ATOM 0 H GLU A 4 -39.038 10.881 -1.970 1.00 3.88 H new ATOM 0 HA GLU A 4 -38.758 8.040 -1.794 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -36.983 10.256 -2.876 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -36.625 8.549 -3.042 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -38.828 8.246 -4.212 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -39.077 9.978 -4.124 1.00 4.23 H new ATOM 61 N SER A 5 -37.450 9.614 0.548 1.00 3.76 N ATOM 62 CA SER A 5 -36.672 9.456 1.767 1.00 3.85 C ATOM 63 C SER A 5 -36.936 8.079 2.367 1.00 3.61 C ATOM 64 O SER A 5 -36.013 7.389 2.799 1.00 3.72 O ATOM 65 CB SER A 5 -37.042 10.548 2.771 1.00 4.10 C ATOM 66 OG SER A 5 -37.126 11.813 2.135 1.00 4.17 O ATOM 0 H SER A 5 -38.112 10.389 0.563 1.00 3.76 H new ATOM 0 HA SER A 5 -35.612 9.545 1.530 1.00 3.85 H new ATOM 0 HB2 SER A 5 -37.996 10.308 3.240 1.00 4.10 H new ATOM 0 HB3 SER A 5 -36.297 10.585 3.566 1.00 4.10 H new ATOM 0 HG SER A 5 -38.067 12.038 1.977 1.00 4.17 H new ATOM 72 N SER A 6 -38.202 7.676 2.354 1.00 3.37 N ATOM 73 CA SER A 6 -38.612 6.385 2.889 1.00 3.21 C ATOM 74 C SER A 6 -37.961 5.224 2.135 1.00 3.07 C ATOM 75 O SER A 6 -37.345 4.343 2.742 1.00 3.14 O ATOM 76 CB SER A 6 -40.132 6.271 2.823 1.00 3.12 C ATOM 77 OG SER A 6 -40.602 6.597 1.529 1.00 3.42 O ATOM 0 H SER A 6 -38.968 8.232 1.974 1.00 3.37 H new ATOM 0 HA SER A 6 -38.280 6.324 3.926 1.00 3.21 H new ATOM 0 HB2 SER A 6 -40.437 5.257 3.081 1.00 3.12 H new ATOM 0 HB3 SER A 6 -40.584 6.937 3.558 1.00 3.12 H new ATOM 0 HG SER A 6 -40.668 7.571 1.441 1.00 3.42 H new ATOM 83 N VAL A 7 -38.085 5.229 0.808 1.00 2.98 N ATOM 84 CA VAL A 7 -37.514 4.159 0.000 1.00 2.91 C ATOM 85 C VAL A 7 -36.004 4.109 0.152 1.00 3.12 C ATOM 86 O VAL A 7 -35.419 3.035 0.243 1.00 3.14 O ATOM 87 CB VAL A 7 -37.889 4.260 -1.500 1.00 2.96 C ATOM 88 CG1 VAL A 7 -37.576 5.628 -2.078 1.00 3.24 C ATOM 89 CG2 VAL A 7 -37.175 3.179 -2.297 1.00 2.98 C ATOM 0 H VAL A 7 -38.570 5.953 0.278 1.00 2.98 H new ATOM 0 HA VAL A 7 -37.949 3.234 0.378 1.00 2.91 H new ATOM 0 HB VAL A 7 -38.966 4.113 -1.574 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -37.856 5.651 -3.131 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -38.138 6.389 -1.537 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -36.509 5.828 -1.982 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -37.448 3.262 -3.349 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -36.097 3.301 -2.191 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -37.468 2.198 -1.923 1.00 2.98 H new ATOM 99 N MET A 8 -35.379 5.272 0.205 1.00 3.37 N ATOM 100 CA MET A 8 -33.935 5.337 0.385 1.00 3.71 C ATOM 101 C MET A 8 -33.519 4.796 1.745 1.00 3.85 C ATOM 102 O MET A 8 -32.410 4.308 1.895 1.00 4.12 O ATOM 103 CB MET A 8 -33.404 6.757 0.187 1.00 4.00 C ATOM 104 CG MET A 8 -33.184 7.111 -1.272 1.00 4.07 C ATOM 105 SD MET A 8 -32.468 8.753 -1.504 1.00 4.46 S ATOM 106 CE MET A 8 -33.717 9.797 -0.757 1.00 5.17 C ATOM 0 H MET A 8 -35.841 6.178 0.127 1.00 3.37 H new ATOM 0 HA MET A 8 -33.491 4.704 -0.383 1.00 3.71 H new ATOM 0 HB2 MET A 8 -34.107 7.466 0.625 1.00 4.00 H new ATOM 0 HB3 MET A 8 -32.463 6.866 0.727 1.00 4.00 H new ATOM 0 HG2 MET A 8 -32.528 6.368 -1.725 1.00 4.07 H new ATOM 0 HG3 MET A 8 -34.136 7.059 -1.800 1.00 4.07 H new ATOM 0 HE1 MET A 8 -33.490 10.842 -0.967 1.00 5.17 H new ATOM 0 HE2 MET A 8 -34.694 9.548 -1.170 1.00 5.17 H new ATOM 0 HE3 MET A 8 -33.728 9.637 0.321 1.00 5.17 H new ATOM 116 N GLN A 9 -34.400 4.864 2.729 1.00 3.77 N ATOM 117 CA GLN A 9 -34.110 4.273 4.030 1.00 4.01 C ATOM 118 C GLN A 9 -34.089 2.748 3.926 1.00 3.96 C ATOM 119 O GLN A 9 -33.264 2.087 4.553 1.00 4.33 O ATOM 120 CB GLN A 9 -35.120 4.738 5.077 1.00 4.00 C ATOM 121 CG GLN A 9 -34.937 6.196 5.463 1.00 4.36 C ATOM 122 CD GLN A 9 -35.987 6.692 6.436 1.00 4.96 C ATOM 123 OE1 GLN A 9 -36.516 5.933 7.249 1.00 5.38 O ATOM 124 NE2 GLN A 9 -36.278 7.982 6.368 1.00 5.37 N ATOM 0 H GLN A 9 -35.312 5.316 2.657 1.00 3.77 H new ATOM 0 HA GLN A 9 -33.124 4.608 4.350 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -36.129 4.593 4.692 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -35.026 4.116 5.967 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -33.950 6.327 5.906 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -34.966 6.810 4.563 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -35.815 8.574 5.678 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -36.965 8.384 7.005 1.00 5.37 H new ATOM 133 N LEU A 10 -34.987 2.197 3.116 1.00 3.56 N ATOM 134 CA LEU A 10 -34.951 0.765 2.823 1.00 3.52 C ATOM 135 C LEU A 10 -33.721 0.459 1.979 1.00 3.65 C ATOM 136 O LEU A 10 -33.044 -0.550 2.155 1.00 3.90 O ATOM 137 CB LEU A 10 -36.174 0.320 2.026 1.00 3.15 C ATOM 138 CG LEU A 10 -37.530 0.853 2.461 1.00 3.03 C ATOM 139 CD1 LEU A 10 -38.617 0.172 1.669 1.00 2.85 C ATOM 140 CD2 LEU A 10 -37.767 0.669 3.948 1.00 3.23 C ATOM 0 H LEU A 10 -35.739 2.710 2.656 1.00 3.56 H new ATOM 0 HA LEU A 10 -34.931 0.236 3.776 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -36.019 0.605 0.986 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -36.216 -0.769 2.055 1.00 3.15 H new ATOM 0 HG LEU A 10 -37.547 1.925 2.265 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -39.589 0.554 1.981 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -38.473 0.371 0.607 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -38.577 -0.903 1.845 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -38.748 1.065 4.212 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -37.725 -0.392 4.195 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -36.998 1.202 4.508 1.00 3.23 H new ATOM 152 N ALA A 11 -33.462 1.353 1.046 1.00 3.56 N ATOM 153 CA ALA A 11 -32.341 1.226 0.126 1.00 3.74 C ATOM 154 C ALA A 11 -31.001 1.249 0.862 1.00 4.22 C ATOM 155 O ALA A 11 -30.100 0.466 0.556 1.00 4.46 O ATOM 156 CB ALA A 11 -32.407 2.341 -0.912 1.00 3.71 C ATOM 0 H ALA A 11 -34.023 2.192 0.901 1.00 3.56 H new ATOM 0 HA ALA A 11 -32.414 0.261 -0.375 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -31.568 2.247 -1.601 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -33.342 2.267 -1.467 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -32.358 3.308 -0.411 1.00 3.71 H new ATOM 162 N GLU A 12 -30.889 2.138 1.845 1.00 4.41 N ATOM 163 CA GLU A 12 -29.660 2.290 2.631 1.00 4.92 C ATOM 164 C GLU A 12 -29.301 1.025 3.411 1.00 5.14 C ATOM 165 O GLU A 12 -28.122 0.764 3.659 1.00 5.60 O ATOM 166 CB GLU A 12 -29.784 3.457 3.607 1.00 5.13 C ATOM 167 CG GLU A 12 -29.673 4.823 2.956 1.00 5.27 C ATOM 168 CD GLU A 12 -28.331 5.046 2.292 1.00 5.79 C ATOM 169 OE1 GLU A 12 -27.292 4.860 2.961 1.00 6.27 O ATOM 170 OE2 GLU A 12 -28.308 5.430 1.103 1.00 5.95 O ATOM 0 H GLU A 12 -31.640 2.771 2.121 1.00 4.41 H new ATOM 0 HA GLU A 12 -28.862 2.484 1.915 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -30.743 3.388 4.120 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -29.009 3.365 4.368 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -30.464 4.933 2.214 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -29.834 5.594 3.709 1.00 5.27 H new ATOM 177 N MET A 13 -30.302 0.243 3.805 1.00 4.88 N ATOM 178 CA MET A 13 -30.034 -0.977 4.565 1.00 5.14 C ATOM 179 C MET A 13 -29.642 -2.110 3.620 1.00 4.89 C ATOM 180 O MET A 13 -29.299 -3.211 4.057 1.00 5.03 O ATOM 181 CB MET A 13 -31.236 -1.384 5.425 1.00 5.20 C ATOM 182 CG MET A 13 -32.426 -1.873 4.631 1.00 4.86 C ATOM 183 SD MET A 13 -33.772 -2.466 5.678 1.00 5.10 S ATOM 184 CE MET A 13 -34.197 -0.969 6.567 1.00 5.16 C ATOM 0 H MET A 13 -31.288 0.425 3.616 1.00 4.88 H new ATOM 0 HA MET A 13 -29.203 -0.774 5.241 1.00 5.14 H new ATOM 0 HB2 MET A 13 -30.926 -2.169 6.115 1.00 5.20 H new ATOM 0 HB3 MET A 13 -31.542 -0.530 6.030 1.00 5.20 H new ATOM 0 HG2 MET A 13 -32.793 -1.064 4.000 1.00 4.86 H new ATOM 0 HG3 MET A 13 -32.108 -2.676 3.967 1.00 4.86 H new ATOM 0 HE1 MET A 13 -35.234 -1.025 6.898 1.00 5.16 H new ATOM 0 HE2 MET A 13 -33.544 -0.863 7.434 1.00 5.16 H new ATOM 0 HE3 MET A 13 -34.071 -0.108 5.911 1.00 5.16 H new ATOM 194 N GLY A 14 -29.704 -1.827 2.325 1.00 4.62 N ATOM 195 CA GLY A 14 -29.229 -2.761 1.331 1.00 4.51 C ATOM 196 C GLY A 14 -30.333 -3.537 0.661 1.00 4.38 C ATOM 197 O GLY A 14 -30.256 -4.760 0.540 1.00 4.75 O ATOM 0 H GLY A 14 -30.079 -0.958 1.946 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -28.666 -2.217 0.573 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -28.538 -3.460 1.802 1.00 4.51 H new ATOM 201 N PHE A 15 -31.354 -2.828 0.213 1.00 4.09 N ATOM 202 CA PHE A 15 -32.438 -3.440 -0.545 1.00 4.04 C ATOM 203 C PHE A 15 -32.924 -2.499 -1.639 1.00 3.73 C ATOM 204 O PHE A 15 -33.272 -1.351 -1.374 1.00 3.48 O ATOM 205 CB PHE A 15 -33.618 -3.826 0.351 1.00 4.10 C ATOM 206 CG PHE A 15 -33.334 -4.950 1.307 1.00 4.27 C ATOM 207 CD1 PHE A 15 -33.195 -6.249 0.850 1.00 4.60 C ATOM 208 CD2 PHE A 15 -33.196 -4.703 2.664 1.00 4.36 C ATOM 209 CE1 PHE A 15 -32.926 -7.282 1.728 1.00 5.01 C ATOM 210 CE2 PHE A 15 -32.927 -5.732 3.546 1.00 4.78 C ATOM 211 CZ PHE A 15 -32.827 -7.034 3.076 1.00 5.09 C ATOM 0 H PHE A 15 -31.458 -1.824 0.360 1.00 4.09 H new ATOM 0 HA PHE A 15 -32.037 -4.349 -0.993 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -33.926 -2.950 0.922 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -34.460 -4.107 -0.281 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -33.298 -6.458 -0.205 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -33.300 -3.695 3.036 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -32.793 -8.286 1.354 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -32.795 -5.524 4.597 1.00 4.78 H new ATOM 0 HZ PHE A 15 -32.672 -7.849 3.767 1.00 5.09 H new ATOM 221 N PRO A 16 -32.932 -2.987 -2.885 1.00 3.83 N ATOM 222 CA PRO A 16 -33.420 -2.233 -4.047 1.00 3.69 C ATOM 223 C PRO A 16 -34.947 -2.146 -4.066 1.00 3.43 C ATOM 224 O PRO A 16 -35.600 -2.715 -4.940 1.00 3.52 O ATOM 225 CB PRO A 16 -32.917 -3.076 -5.219 1.00 4.05 C ATOM 226 CG PRO A 16 -32.945 -4.467 -4.689 1.00 4.25 C ATOM 227 CD PRO A 16 -32.511 -4.348 -3.255 1.00 4.22 C ATOM 0 HA PRO A 16 -33.074 -1.199 -4.059 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -33.557 -2.968 -6.094 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -31.912 -2.783 -5.521 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -33.944 -4.898 -4.764 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -32.274 -5.117 -5.251 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -32.987 -5.101 -2.627 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -31.434 -4.479 -3.149 1.00 4.22 H new ATOM 235 N LEU A 17 -35.521 -1.444 -3.105 1.00 3.19 N ATOM 236 CA LEU A 17 -36.967 -1.438 -2.963 1.00 3.02 C ATOM 237 C LEU A 17 -37.605 -0.256 -3.689 1.00 3.04 C ATOM 238 O LEU A 17 -38.317 0.558 -3.098 1.00 2.93 O ATOM 239 CB LEU A 17 -37.378 -1.499 -1.479 1.00 2.86 C ATOM 240 CG LEU A 17 -36.851 -2.739 -0.742 1.00 2.99 C ATOM 241 CD1 LEU A 17 -37.313 -2.759 0.705 1.00 3.21 C ATOM 242 CD2 LEU A 17 -37.294 -4.010 -1.451 1.00 3.29 C ATOM 0 H LEU A 17 -35.018 -0.879 -2.421 1.00 3.19 H new ATOM 0 HA LEU A 17 -37.350 -2.338 -3.443 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -37.014 -0.605 -0.973 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -38.466 -1.482 -1.412 1.00 2.86 H new ATOM 0 HG LEU A 17 -35.762 -2.691 -0.750 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -36.923 -3.649 1.199 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -36.945 -1.870 1.217 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -38.402 -2.773 0.739 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -36.911 -4.878 -0.914 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -38.383 -4.051 -1.478 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -36.906 -4.013 -2.469 1.00 3.29 H new ATOM 254 N GLU A 18 -37.358 -0.162 -4.996 1.00 3.30 N ATOM 255 CA GLU A 18 -38.100 0.769 -5.827 1.00 3.51 C ATOM 256 C GLU A 18 -39.591 0.494 -5.708 1.00 3.51 C ATOM 257 O GLU A 18 -40.418 1.358 -5.971 1.00 3.70 O ATOM 258 CB GLU A 18 -37.688 0.684 -7.285 1.00 3.90 C ATOM 259 CG GLU A 18 -37.897 1.998 -8.003 1.00 4.24 C ATOM 260 CD GLU A 18 -37.605 1.928 -9.480 1.00 4.90 C ATOM 261 OE1 GLU A 18 -38.508 1.558 -10.254 1.00 5.48 O ATOM 262 OE2 GLU A 18 -36.479 2.282 -9.875 1.00 5.09 O ATOM 0 H GLU A 18 -36.658 -0.714 -5.491 1.00 3.30 H new ATOM 0 HA GLU A 18 -37.874 1.774 -5.472 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -36.639 0.397 -7.350 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -38.264 -0.097 -7.781 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -38.928 2.322 -7.859 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -37.259 2.756 -7.550 1.00 4.24 H new ATOM 269 N ALA A 19 -39.920 -0.729 -5.306 1.00 3.41 N ATOM 270 CA ALA A 19 -41.289 -1.097 -4.995 1.00 3.49 C ATOM 271 C ALA A 19 -41.829 -0.185 -3.897 1.00 3.32 C ATOM 272 O ALA A 19 -43.022 0.095 -3.835 1.00 3.54 O ATOM 273 CB ALA A 19 -41.354 -2.559 -4.575 1.00 3.45 C ATOM 0 H ALA A 19 -39.247 -1.486 -5.188 1.00 3.41 H new ATOM 0 HA ALA A 19 -41.910 -0.973 -5.882 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -42.385 -2.826 -4.344 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -40.990 -3.188 -5.388 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -40.733 -2.712 -3.692 1.00 3.45 H new ATOM 279 N CYS A 20 -40.924 0.289 -3.042 1.00 3.03 N ATOM 280 CA CYS A 20 -41.264 1.256 -2.005 1.00 2.94 C ATOM 281 C CYS A 20 -41.516 2.597 -2.649 1.00 3.13 C ATOM 282 O CYS A 20 -42.468 3.282 -2.309 1.00 3.27 O ATOM 283 CB CYS A 20 -40.145 1.417 -0.979 1.00 2.73 C ATOM 284 SG CYS A 20 -40.611 2.431 0.445 1.00 2.75 S ATOM 0 H CYS A 20 -39.942 0.015 -3.050 1.00 3.03 H new ATOM 0 HA CYS A 20 -42.151 0.889 -1.488 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -39.840 0.431 -0.628 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -39.278 1.865 -1.466 1.00 2.73 H new ATOM 0 HG CYS A 20 -40.140 3.633 0.294 1.00 2.75 H new ATOM 290 N ARG A 21 -40.640 2.969 -3.575 1.00 3.24 N ATOM 291 CA ARG A 21 -40.831 4.197 -4.348 1.00 3.55 C ATOM 292 C ARG A 21 -42.237 4.221 -4.969 1.00 3.89 C ATOM 293 O ARG A 21 -42.935 5.238 -4.937 1.00 4.07 O ATOM 294 CB ARG A 21 -39.735 4.325 -5.418 1.00 3.75 C ATOM 295 CG ARG A 21 -39.992 5.418 -6.441 1.00 4.17 C ATOM 296 CD ARG A 21 -38.701 6.093 -6.892 1.00 4.74 C ATOM 297 NE ARG A 21 -37.804 5.179 -7.601 1.00 5.08 N ATOM 298 CZ ARG A 21 -36.473 5.194 -7.481 1.00 5.56 C ATOM 299 NH1 ARG A 21 -35.881 6.120 -6.737 1.00 5.80 N ATOM 300 NH2 ARG A 21 -35.731 4.304 -8.131 1.00 6.10 N ATOM 0 H ARG A 21 -39.797 2.445 -3.810 1.00 3.24 H new ATOM 0 HA ARG A 21 -40.748 5.057 -3.683 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -38.782 4.520 -4.925 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -39.636 3.372 -5.937 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -40.500 4.992 -7.306 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -40.661 6.165 -6.014 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -38.943 6.934 -7.541 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -38.185 6.500 -6.022 1.00 4.74 H new ATOM 0 HE ARG A 21 -38.220 4.488 -8.225 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -36.442 6.822 -6.255 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -34.865 6.129 -6.647 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -36.177 3.605 -8.725 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -34.716 4.320 -8.036 1.00 6.10 H new ATOM 314 N LYS A 22 -42.653 3.074 -5.492 1.00 4.03 N ATOM 315 CA LYS A 22 -43.987 2.919 -6.062 1.00 4.43 C ATOM 316 C LYS A 22 -45.044 2.915 -4.955 1.00 4.38 C ATOM 317 O LYS A 22 -46.122 3.488 -5.102 1.00 4.73 O ATOM 318 CB LYS A 22 -44.054 1.612 -6.857 1.00 4.63 C ATOM 319 CG LYS A 22 -42.879 1.419 -7.794 1.00 4.60 C ATOM 320 CD LYS A 22 -42.843 0.014 -8.363 1.00 4.73 C ATOM 321 CE LYS A 22 -41.427 -0.379 -8.729 1.00 4.49 C ATOM 322 NZ LYS A 22 -41.379 -1.659 -9.485 1.00 4.77 N ATOM 0 H LYS A 22 -42.081 2.231 -5.533 1.00 4.03 H new ATOM 0 HA LYS A 22 -44.188 3.758 -6.728 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -44.097 0.774 -6.162 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -44.978 1.594 -7.435 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -42.940 2.141 -8.609 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -41.950 1.620 -7.260 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -43.244 -0.690 -7.633 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -43.481 -0.043 -9.245 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -40.975 0.412 -9.327 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -40.831 -0.472 -7.821 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -40.562 -1.651 -10.129 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -41.287 -2.452 -8.819 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -42.254 -1.769 -10.037 1.00 4.77 H new ATOM 336 N ALA A 23 -44.712 2.261 -3.846 1.00 4.00 N ATOM 337 CA ALA A 23 -45.597 2.185 -2.688 1.00 4.00 C ATOM 338 C ALA A 23 -45.869 3.567 -2.109 1.00 4.05 C ATOM 339 O ALA A 23 -46.994 3.884 -1.739 1.00 4.34 O ATOM 340 CB ALA A 23 -44.991 1.285 -1.624 1.00 3.66 C ATOM 0 H ALA A 23 -43.826 1.771 -3.725 1.00 4.00 H new ATOM 0 HA ALA A 23 -46.546 1.763 -3.018 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -45.660 1.236 -0.765 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -44.850 0.284 -2.032 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -44.028 1.689 -1.311 1.00 3.66 H new ATOM 346 N VAL A 24 -44.828 4.377 -2.020 1.00 3.82 N ATOM 347 CA VAL A 24 -44.956 5.750 -1.549 1.00 3.90 C ATOM 348 C VAL A 24 -45.919 6.531 -2.439 1.00 4.37 C ATOM 349 O VAL A 24 -46.797 7.240 -1.944 1.00 4.58 O ATOM 350 CB VAL A 24 -43.585 6.461 -1.518 1.00 3.69 C ATOM 351 CG1 VAL A 24 -43.725 7.912 -1.093 1.00 3.86 C ATOM 352 CG2 VAL A 24 -42.625 5.735 -0.594 1.00 3.33 C ATOM 0 H VAL A 24 -43.877 4.107 -2.269 1.00 3.82 H new ATOM 0 HA VAL A 24 -45.351 5.716 -0.534 1.00 3.90 H new ATOM 0 HB VAL A 24 -43.181 6.441 -2.530 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -42.743 8.384 -1.081 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -44.371 8.437 -1.797 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -44.162 7.958 -0.095 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -41.666 6.252 -0.587 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -43.035 5.717 0.416 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -42.484 4.713 -0.946 1.00 3.33 H new ATOM 362 N TYR A 25 -45.750 6.394 -3.751 1.00 4.58 N ATOM 363 CA TYR A 25 -46.708 6.948 -4.703 1.00 5.10 C ATOM 364 C TYR A 25 -48.127 6.452 -4.403 1.00 5.36 C ATOM 365 O TYR A 25 -49.068 7.241 -4.324 1.00 5.71 O ATOM 366 CB TYR A 25 -46.306 6.576 -6.136 1.00 5.32 C ATOM 367 CG TYR A 25 -47.407 6.788 -7.156 1.00 5.87 C ATOM 368 CD1 TYR A 25 -47.796 8.070 -7.526 1.00 6.18 C ATOM 369 CD2 TYR A 25 -48.044 5.710 -7.755 1.00 6.12 C ATOM 370 CE1 TYR A 25 -48.791 8.270 -8.463 1.00 6.71 C ATOM 371 CE2 TYR A 25 -49.037 5.903 -8.697 1.00 6.65 C ATOM 372 CZ TYR A 25 -49.450 7.166 -9.002 1.00 6.94 C ATOM 373 OH TYR A 25 -50.389 7.391 -9.990 1.00 7.48 O ATOM 0 H TYR A 25 -44.962 5.906 -4.178 1.00 4.58 H new ATOM 0 HA TYR A 25 -46.699 8.033 -4.604 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -45.437 7.168 -6.425 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -46.000 5.530 -6.158 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -47.313 8.923 -7.074 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -47.759 4.705 -7.481 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -49.055 9.270 -8.774 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -49.485 5.054 -9.191 1.00 6.65 H new ATOM 0 HH TYR A 25 -50.772 6.536 -10.278 1.00 7.48 H new ATOM 383 N PHE A 26 -48.263 5.142 -4.210 1.00 5.24 N ATOM 384 CA PHE A 26 -49.569 4.522 -3.992 1.00 5.55 C ATOM 385 C PHE A 26 -50.186 4.959 -2.658 1.00 5.56 C ATOM 386 O PHE A 26 -51.389 5.199 -2.574 1.00 5.98 O ATOM 387 CB PHE A 26 -49.453 2.997 -4.046 1.00 5.42 C ATOM 388 CG PHE A 26 -50.772 2.289 -3.901 1.00 5.81 C ATOM 389 CD1 PHE A 26 -51.670 2.251 -4.955 1.00 6.32 C ATOM 390 CD2 PHE A 26 -51.116 1.664 -2.710 1.00 5.81 C ATOM 391 CE1 PHE A 26 -52.884 1.605 -4.827 1.00 6.79 C ATOM 392 CE2 PHE A 26 -52.330 1.019 -2.578 1.00 6.37 C ATOM 393 CZ PHE A 26 -53.216 0.989 -3.637 1.00 6.84 C ATOM 0 H PHE A 26 -47.482 4.487 -4.200 1.00 5.24 H new ATOM 0 HA PHE A 26 -50.230 4.857 -4.791 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -48.997 2.709 -4.993 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -48.782 2.663 -3.255 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -51.418 2.732 -5.888 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -50.427 1.682 -1.878 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -53.574 1.582 -5.658 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -52.587 0.538 -1.646 1.00 6.37 H new ATOM 0 HZ PHE A 26 -54.166 0.485 -3.534 1.00 6.84 H new ATOM 403 N THR A 27 -49.360 5.067 -1.619 1.00 5.14 N ATOM 404 CA THR A 27 -49.846 5.473 -0.303 1.00 5.20 C ATOM 405 C THR A 27 -50.294 6.934 -0.312 1.00 5.47 C ATOM 406 O THR A 27 -50.996 7.389 0.591 1.00 5.71 O ATOM 407 CB THR A 27 -48.787 5.279 0.807 1.00 4.75 C ATOM 408 OG1 THR A 27 -47.552 5.895 0.431 1.00 4.44 O ATOM 409 CG2 THR A 27 -48.549 3.805 1.082 1.00 4.59 C ATOM 0 H THR A 27 -48.358 4.880 -1.662 1.00 5.14 H new ATOM 0 HA THR A 27 -50.695 4.826 -0.081 1.00 5.20 H new ATOM 0 HB THR A 27 -49.167 5.749 1.714 1.00 4.75 H new ATOM 0 HG1 THR A 27 -47.676 6.393 -0.404 1.00 4.44 H new ATOM 0 HG21 THR A 27 -47.800 3.698 1.867 1.00 4.59 H new ATOM 0 HG22 THR A 27 -49.481 3.340 1.404 1.00 4.59 H new ATOM 0 HG23 THR A 27 -48.195 3.318 0.173 1.00 4.59 H new ATOM 417 N GLY A 28 -49.896 7.658 -1.352 1.00 5.48 N ATOM 418 CA GLY A 28 -50.201 9.070 -1.435 1.00 5.75 C ATOM 419 C GLY A 28 -49.239 9.890 -0.608 1.00 5.44 C ATOM 420 O GLY A 28 -49.591 10.959 -0.112 1.00 5.64 O ATOM 0 H GLY A 28 -49.366 7.288 -2.141 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -50.156 9.393 -2.475 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -51.220 9.245 -1.090 1.00 5.75 H new ATOM 424 N ASN A 29 -48.018 9.372 -0.471 1.00 5.01 N ATOM 425 CA ASN A 29 -46.986 9.979 0.367 1.00 4.73 C ATOM 426 C ASN A 29 -47.443 10.043 1.820 1.00 4.74 C ATOM 427 O ASN A 29 -47.796 11.104 2.334 1.00 4.97 O ATOM 428 CB ASN A 29 -46.595 11.374 -0.137 1.00 4.95 C ATOM 429 CG ASN A 29 -45.461 11.978 0.670 1.00 4.86 C ATOM 430 OD1 ASN A 29 -44.663 11.258 1.266 1.00 4.99 O ATOM 431 ND2 ASN A 29 -45.369 13.299 0.684 1.00 5.06 N ATOM 0 H ASN A 29 -47.717 8.517 -0.940 1.00 5.01 H new ATOM 0 HA ASN A 29 -46.100 9.347 0.307 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -46.300 11.310 -1.184 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -47.463 12.032 -0.090 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -44.616 13.752 1.202 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -46.051 13.863 0.177 1.00 5.06 H new ATOM 438 N MET A 30 -47.447 8.894 2.472 1.00 4.58 N ATOM 439 CA MET A 30 -47.823 8.815 3.876 1.00 4.71 C ATOM 440 C MET A 30 -46.588 8.689 4.763 1.00 4.46 C ATOM 441 O MET A 30 -46.674 8.275 5.921 1.00 4.65 O ATOM 442 CB MET A 30 -48.785 7.650 4.108 1.00 4.89 C ATOM 443 CG MET A 30 -50.198 7.938 3.628 1.00 5.35 C ATOM 444 SD MET A 30 -50.899 9.414 4.396 1.00 5.80 S ATOM 445 CE MET A 30 -52.484 9.500 3.567 1.00 6.28 C ATOM 0 H MET A 30 -47.194 8.000 2.052 1.00 4.58 H new ATOM 0 HA MET A 30 -48.335 9.738 4.146 1.00 4.71 H new ATOM 0 HB2 MET A 30 -48.406 6.766 3.594 1.00 4.89 H new ATOM 0 HB3 MET A 30 -48.810 7.414 5.172 1.00 4.89 H new ATOM 0 HG2 MET A 30 -50.192 8.063 2.545 1.00 5.35 H new ATOM 0 HG3 MET A 30 -50.835 7.081 3.847 1.00 5.35 H new ATOM 0 HE1 MET A 30 -53.040 10.363 3.933 1.00 6.28 H new ATOM 0 HE2 MET A 30 -52.328 9.598 2.493 1.00 6.28 H new ATOM 0 HE3 MET A 30 -53.050 8.591 3.770 1.00 6.28 H new ATOM 455 N GLY A 31 -45.445 9.055 4.206 1.00 4.17 N ATOM 456 CA GLY A 31 -44.216 9.065 4.970 1.00 4.03 C ATOM 457 C GLY A 31 -43.529 7.716 5.006 1.00 3.77 C ATOM 458 O GLY A 31 -44.010 6.743 4.416 1.00 3.68 O ATOM 0 H GLY A 31 -45.346 9.347 3.234 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -43.535 9.802 4.543 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -44.432 9.384 5.990 1.00 4.03 H new ATOM 462 N ALA A 32 -42.410 7.660 5.717 1.00 3.73 N ATOM 463 CA ALA A 32 -41.606 6.449 5.807 1.00 3.58 C ATOM 464 C ALA A 32 -42.309 5.363 6.606 1.00 3.72 C ATOM 465 O ALA A 32 -42.219 4.188 6.264 1.00 3.56 O ATOM 466 CB ALA A 32 -40.244 6.755 6.414 1.00 3.73 C ATOM 0 H ALA A 32 -42.036 8.449 6.245 1.00 3.73 H new ATOM 0 HA ALA A 32 -41.465 6.075 4.793 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -39.658 5.838 6.473 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -39.722 7.480 5.789 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -40.376 7.167 7.415 1.00 3.73 H new ATOM 472 N GLU A 33 -43.017 5.761 7.662 1.00 4.10 N ATOM 473 CA GLU A 33 -43.683 4.802 8.543 1.00 4.38 C ATOM 474 C GLU A 33 -44.597 3.886 7.737 1.00 4.28 C ATOM 475 O GLU A 33 -44.456 2.658 7.747 1.00 4.30 O ATOM 476 CB GLU A 33 -44.520 5.524 9.604 1.00 4.91 C ATOM 477 CG GLU A 33 -43.761 6.571 10.404 1.00 5.11 C ATOM 478 CD GLU A 33 -42.588 6.004 11.164 1.00 5.12 C ATOM 479 OE1 GLU A 33 -42.796 5.121 12.024 1.00 5.46 O ATOM 480 OE2 GLU A 33 -41.452 6.462 10.928 1.00 5.09 O ATOM 0 H GLU A 33 -43.144 6.737 7.928 1.00 4.10 H new ATOM 0 HA GLU A 33 -42.909 4.212 9.035 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -45.368 6.004 9.115 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -44.927 4.784 10.293 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -43.406 7.348 9.728 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -44.444 7.048 11.107 1.00 5.11 H new ATOM 487 N VAL A 34 -45.515 4.506 7.014 1.00 4.27 N ATOM 488 CA VAL A 34 -46.520 3.787 6.256 1.00 4.34 C ATOM 489 C VAL A 34 -45.900 2.969 5.125 1.00 4.01 C ATOM 490 O VAL A 34 -46.300 1.833 4.885 1.00 4.11 O ATOM 491 CB VAL A 34 -47.574 4.765 5.695 1.00 4.54 C ATOM 492 CG1 VAL A 34 -48.576 4.045 4.808 1.00 4.83 C ATOM 493 CG2 VAL A 34 -48.287 5.472 6.833 1.00 4.88 C ATOM 0 H VAL A 34 -45.583 5.521 6.937 1.00 4.27 H new ATOM 0 HA VAL A 34 -47.008 3.090 6.937 1.00 4.34 H new ATOM 0 HB VAL A 34 -47.059 5.506 5.084 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -49.305 4.760 4.428 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -48.054 3.580 3.972 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -49.089 3.277 5.387 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -49.029 6.160 6.426 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -48.783 4.735 7.465 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -47.562 6.029 7.426 1.00 4.88 H new ATOM 503 N ALA A 35 -44.910 3.531 4.447 1.00 3.68 N ATOM 504 CA ALA A 35 -44.314 2.852 3.307 1.00 3.42 C ATOM 505 C ALA A 35 -43.374 1.729 3.729 1.00 3.28 C ATOM 506 O ALA A 35 -43.294 0.709 3.050 1.00 3.21 O ATOM 507 CB ALA A 35 -43.598 3.825 2.400 1.00 3.22 C ATOM 0 H ALA A 35 -44.507 4.443 4.663 1.00 3.68 H new ATOM 0 HA ALA A 35 -45.136 2.401 2.752 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -43.164 3.286 1.558 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -44.306 4.566 2.030 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -42.806 4.326 2.957 1.00 3.22 H new ATOM 513 N PHE A 36 -42.661 1.910 4.836 1.00 3.36 N ATOM 514 CA PHE A 36 -41.840 0.834 5.382 1.00 3.45 C ATOM 515 C PHE A 36 -42.734 -0.363 5.686 1.00 3.68 C ATOM 516 O PHE A 36 -42.393 -1.510 5.395 1.00 3.69 O ATOM 517 CB PHE A 36 -41.107 1.296 6.649 1.00 3.70 C ATOM 518 CG PHE A 36 -40.392 0.192 7.387 1.00 3.98 C ATOM 519 CD1 PHE A 36 -39.118 -0.205 7.010 1.00 3.93 C ATOM 520 CD2 PHE A 36 -40.995 -0.448 8.457 1.00 4.38 C ATOM 521 CE1 PHE A 36 -38.462 -1.218 7.685 1.00 4.29 C ATOM 522 CE2 PHE A 36 -40.346 -1.462 9.136 1.00 4.71 C ATOM 523 CZ PHE A 36 -39.070 -1.841 8.752 1.00 4.66 C ATOM 0 H PHE A 36 -42.634 2.780 5.368 1.00 3.36 H new ATOM 0 HA PHE A 36 -41.085 0.549 4.650 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -40.383 2.064 6.377 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -41.827 1.761 7.322 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -38.632 0.283 6.178 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -41.986 -0.151 8.765 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -37.473 -1.521 7.375 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -40.832 -1.957 9.963 1.00 4.71 H new ATOM 0 HZ PHE A 36 -38.553 -2.623 9.288 1.00 4.66 H new ATOM 533 N ASN A 37 -43.902 -0.080 6.247 1.00 3.94 N ATOM 534 CA ASN A 37 -44.890 -1.112 6.506 1.00 4.25 C ATOM 535 C ASN A 37 -45.477 -1.638 5.206 1.00 4.16 C ATOM 536 O ASN A 37 -45.714 -2.836 5.066 1.00 4.35 O ATOM 537 CB ASN A 37 -46.008 -0.590 7.405 1.00 4.57 C ATOM 538 CG ASN A 37 -45.611 -0.567 8.868 1.00 5.25 C ATOM 539 OD1 ASN A 37 -45.765 -1.562 9.578 1.00 5.69 O ATOM 540 ND2 ASN A 37 -45.117 0.564 9.338 1.00 5.66 N ATOM 0 H ASN A 37 -44.186 0.858 6.531 1.00 3.94 H new ATOM 0 HA ASN A 37 -44.384 -1.929 7.020 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -46.283 0.417 7.090 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -46.892 -1.216 7.281 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -44.848 0.634 10.319 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -45.004 1.367 8.720 1.00 5.66 H new ATOM 547 N TRP A 38 -45.695 -0.747 4.248 1.00 3.97 N ATOM 548 CA TRP A 38 -46.283 -1.139 2.980 1.00 4.01 C ATOM 549 C TRP A 38 -45.345 -2.086 2.248 1.00 3.81 C ATOM 550 O TRP A 38 -45.782 -3.049 1.615 1.00 4.02 O ATOM 551 CB TRP A 38 -46.587 0.087 2.113 1.00 3.96 C ATOM 552 CG TRP A 38 -47.780 -0.119 1.230 1.00 4.29 C ATOM 553 CD1 TRP A 38 -49.061 0.264 1.501 1.00 4.58 C ATOM 554 CD2 TRP A 38 -47.819 -0.770 -0.046 1.00 4.67 C ATOM 555 NE1 TRP A 38 -49.890 -0.101 0.471 1.00 4.88 N ATOM 556 CE2 TRP A 38 -49.156 -0.738 -0.489 1.00 4.93 C ATOM 557 CE3 TRP A 38 -46.858 -1.374 -0.861 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -49.551 -1.288 -1.705 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -47.251 -1.919 -2.067 1.00 5.81 C ATOM 560 CH2 TRP A 38 -48.588 -1.873 -2.481 1.00 5.87 C ATOM 0 H TRP A 38 -45.474 0.246 4.326 1.00 3.97 H new ATOM 0 HA TRP A 38 -47.225 -1.651 3.179 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -46.759 0.950 2.756 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -45.718 0.317 1.497 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -49.376 0.779 2.396 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -50.894 0.075 0.429 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -45.824 -1.414 -0.552 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -50.582 -1.254 -2.025 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -46.515 -2.389 -2.702 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -48.864 -2.307 -3.430 1.00 5.87 H new ATOM 571 N ILE A 39 -44.049 -1.827 2.363 1.00 3.49 N ATOM 572 CA ILE A 39 -43.061 -2.633 1.678 1.00 3.34 C ATOM 573 C ILE A 39 -42.926 -4.003 2.324 1.00 3.60 C ATOM 574 O ILE A 39 -42.796 -4.992 1.628 1.00 3.69 O ATOM 575 CB ILE A 39 -41.678 -1.935 1.604 1.00 3.04 C ATOM 576 CG1 ILE A 39 -40.948 -2.379 0.337 1.00 2.98 C ATOM 577 CG2 ILE A 39 -40.816 -2.231 2.830 1.00 3.21 C ATOM 578 CD1 ILE A 39 -41.693 -2.030 -0.931 1.00 3.10 C ATOM 0 H ILE A 39 -43.664 -1.067 2.923 1.00 3.49 H new ATOM 0 HA ILE A 39 -43.419 -2.760 0.656 1.00 3.34 H new ATOM 0 HB ILE A 39 -41.851 -0.859 1.580 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -39.962 -1.915 0.311 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -40.792 -3.457 0.374 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -39.858 -1.721 2.733 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -41.325 -1.878 3.727 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -40.649 -3.305 2.907 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -41.122 -2.372 -1.794 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -42.669 -2.516 -0.925 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -41.826 -0.950 -0.989 1.00 3.10 H new ATOM 590 N ILE A 40 -42.982 -4.071 3.648 1.00 3.82 N ATOM 591 CA ILE A 40 -42.851 -5.352 4.330 1.00 4.18 C ATOM 592 C ILE A 40 -44.082 -6.221 4.091 1.00 4.46 C ATOM 593 O ILE A 40 -44.036 -7.446 4.214 1.00 4.72 O ATOM 594 CB ILE A 40 -42.554 -5.185 5.840 1.00 4.46 C ATOM 595 CG1 ILE A 40 -43.655 -4.417 6.574 1.00 4.61 C ATOM 596 CG2 ILE A 40 -41.214 -4.491 6.024 1.00 4.32 C ATOM 597 CD1 ILE A 40 -44.804 -5.287 7.034 1.00 5.04 C ATOM 0 H ILE A 40 -43.115 -3.268 4.263 1.00 3.82 H new ATOM 0 HA ILE A 40 -41.989 -5.863 3.901 1.00 4.18 H new ATOM 0 HB ILE A 40 -42.519 -6.182 6.279 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -43.221 -3.917 7.440 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -44.042 -3.638 5.917 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -41.008 -4.375 7.088 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -40.428 -5.090 5.565 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -41.245 -3.509 5.551 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -45.544 -4.672 7.546 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -45.265 -5.767 6.171 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -44.432 -6.050 7.717 1.00 5.04 H new ATOM 609 N VAL A 41 -45.182 -5.579 3.739 1.00 4.47 N ATOM 610 CA VAL A 41 -46.373 -6.295 3.311 1.00 4.80 C ATOM 611 C VAL A 41 -46.189 -6.852 1.895 1.00 4.72 C ATOM 612 O VAL A 41 -46.491 -8.016 1.632 1.00 5.04 O ATOM 613 CB VAL A 41 -47.629 -5.392 3.357 1.00 4.99 C ATOM 614 CG1 VAL A 41 -48.837 -6.101 2.762 1.00 5.34 C ATOM 615 CG2 VAL A 41 -47.927 -4.959 4.785 1.00 5.37 C ATOM 0 H VAL A 41 -45.276 -4.563 3.741 1.00 4.47 H new ATOM 0 HA VAL A 41 -46.521 -7.121 4.006 1.00 4.80 H new ATOM 0 HB VAL A 41 -47.423 -4.506 2.757 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -49.704 -5.443 2.808 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -48.632 -6.359 1.723 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -49.041 -7.010 3.328 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -48.814 -4.325 4.795 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -48.103 -5.839 5.403 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -47.078 -4.402 5.181 1.00 5.37 H new ATOM 625 N HIS A 42 -45.653 -6.027 1.000 1.00 4.36 N ATOM 626 CA HIS A 42 -45.551 -6.389 -0.414 1.00 4.38 C ATOM 627 C HIS A 42 -44.139 -6.889 -0.760 1.00 4.19 C ATOM 628 O HIS A 42 -43.789 -7.035 -1.929 1.00 4.21 O ATOM 629 CB HIS A 42 -45.919 -5.166 -1.270 1.00 4.29 C ATOM 630 CG HIS A 42 -46.294 -5.482 -2.691 1.00 4.59 C ATOM 631 ND1 HIS A 42 -45.663 -4.921 -3.779 1.00 4.88 N ATOM 632 CD2 HIS A 42 -47.269 -6.275 -3.198 1.00 5.00 C ATOM 633 CE1 HIS A 42 -46.227 -5.355 -4.890 1.00 5.32 C ATOM 634 NE2 HIS A 42 -47.203 -6.176 -4.565 1.00 5.35 N ATOM 0 H HIS A 42 -45.282 -5.104 1.226 1.00 4.36 H new ATOM 0 HA HIS A 42 -46.243 -7.204 -0.624 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -46.751 -4.646 -0.796 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -45.074 -4.477 -1.276 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -47.968 -6.873 -2.632 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -45.937 -5.083 -5.894 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -47.813 -6.661 -5.224 1.00 5.35 H new ATOM 643 N MET A 43 -43.338 -7.155 0.270 1.00 4.14 N ATOM 644 CA MET A 43 -41.946 -7.587 0.091 1.00 4.14 C ATOM 645 C MET A 43 -41.860 -9.017 -0.424 1.00 4.46 C ATOM 646 O MET A 43 -40.837 -9.425 -0.967 1.00 4.53 O ATOM 647 CB MET A 43 -41.151 -7.459 1.396 1.00 4.26 C ATOM 648 CG MET A 43 -41.562 -8.439 2.483 1.00 4.64 C ATOM 649 SD MET A 43 -40.627 -8.207 4.010 1.00 4.92 S ATOM 650 CE MET A 43 -41.354 -9.474 5.050 1.00 5.73 C ATOM 0 H MET A 43 -43.628 -7.079 1.245 1.00 4.14 H new ATOM 0 HA MET A 43 -41.507 -6.926 -0.656 1.00 4.14 H new ATOM 0 HB2 MET A 43 -40.093 -7.601 1.177 1.00 4.26 H new ATOM 0 HB3 MET A 43 -41.264 -6.444 1.778 1.00 4.26 H new ATOM 0 HG2 MET A 43 -42.626 -8.322 2.690 1.00 4.64 H new ATOM 0 HG3 MET A 43 -41.418 -9.458 2.123 1.00 4.64 H new ATOM 0 HE1 MET A 43 -40.879 -9.456 6.031 1.00 5.73 H new ATOM 0 HE2 MET A 43 -42.422 -9.286 5.160 1.00 5.73 H new ATOM 0 HE3 MET A 43 -41.204 -10.451 4.592 1.00 5.73 H new ATOM 660 N GLU A 44 -42.930 -9.782 -0.229 1.00 4.75 N ATOM 661 CA GLU A 44 -42.960 -11.175 -0.663 1.00 5.13 C ATOM 662 C GLU A 44 -42.997 -11.282 -2.191 1.00 5.18 C ATOM 663 O GLU A 44 -43.092 -12.379 -2.746 1.00 5.55 O ATOM 664 CB GLU A 44 -44.146 -11.911 -0.035 1.00 5.44 C ATOM 665 CG GLU A 44 -45.470 -11.181 -0.174 1.00 5.61 C ATOM 666 CD GLU A 44 -46.620 -11.943 0.449 1.00 6.04 C ATOM 667 OE1 GLU A 44 -46.693 -12.003 1.694 1.00 6.20 O ATOM 668 OE2 GLU A 44 -47.457 -12.488 -0.301 1.00 6.34 O ATOM 0 H GLU A 44 -43.785 -9.462 0.225 1.00 4.75 H new ATOM 0 HA GLU A 44 -42.041 -11.652 -0.321 1.00 5.13 H new ATOM 0 HB2 GLU A 44 -44.235 -12.895 -0.496 1.00 5.44 H new ATOM 0 HB3 GLU A 44 -43.941 -12.072 1.023 1.00 5.44 H new ATOM 0 HG2 GLU A 44 -45.392 -10.200 0.295 1.00 5.61 H new ATOM 0 HG3 GLU A 44 -45.680 -11.013 -1.230 1.00 5.61 H new ATOM 675 N GLU A 45 -42.943 -10.136 -2.861 1.00 4.91 N ATOM 676 CA GLU A 45 -42.747 -10.088 -4.301 1.00 5.03 C ATOM 677 C GLU A 45 -41.250 -9.947 -4.584 1.00 4.94 C ATOM 678 O GLU A 45 -40.710 -8.841 -4.560 1.00 4.63 O ATOM 679 CB GLU A 45 -43.485 -8.892 -4.902 1.00 4.92 C ATOM 680 CG GLU A 45 -44.932 -8.755 -4.467 1.00 5.10 C ATOM 681 CD GLU A 45 -45.794 -9.934 -4.864 1.00 5.33 C ATOM 682 OE1 GLU A 45 -46.155 -10.032 -6.053 1.00 5.62 O ATOM 683 OE2 GLU A 45 -46.139 -10.751 -3.985 1.00 5.49 O ATOM 0 H GLU A 45 -43.034 -9.220 -2.422 1.00 4.91 H new ATOM 0 HA GLU A 45 -43.139 -11.002 -4.748 1.00 5.03 H new ATOM 0 HB2 GLU A 45 -42.951 -7.981 -4.633 1.00 4.92 H new ATOM 0 HB3 GLU A 45 -43.453 -8.971 -5.989 1.00 4.92 H new ATOM 0 HG2 GLU A 45 -44.968 -8.636 -3.384 1.00 5.10 H new ATOM 0 HG3 GLU A 45 -45.350 -7.847 -4.901 1.00 5.10 H new ATOM 690 N PRO A 46 -40.575 -11.070 -4.880 1.00 5.34 N ATOM 691 CA PRO A 46 -39.110 -11.126 -4.963 1.00 5.48 C ATOM 692 C PRO A 46 -38.532 -10.182 -6.006 1.00 5.20 C ATOM 693 O PRO A 46 -37.557 -9.482 -5.759 1.00 5.09 O ATOM 694 CB PRO A 46 -38.824 -12.575 -5.381 1.00 6.09 C ATOM 695 CG PRO A 46 -40.105 -13.069 -5.956 1.00 6.22 C ATOM 696 CD PRO A 46 -41.187 -12.372 -5.188 1.00 5.83 C ATOM 0 HA PRO A 46 -38.658 -10.827 -4.017 1.00 5.48 H new ATOM 0 HB2 PRO A 46 -38.018 -12.623 -6.113 1.00 6.09 H new ATOM 0 HB3 PRO A 46 -38.516 -13.179 -4.527 1.00 6.09 H new ATOM 0 HG2 PRO A 46 -40.171 -12.841 -7.020 1.00 6.22 H new ATOM 0 HG3 PRO A 46 -40.188 -14.151 -5.856 1.00 6.22 H new ATOM 0 HD2 PRO A 46 -42.097 -12.263 -5.778 1.00 5.83 H new ATOM 0 HD3 PRO A 46 -41.457 -12.917 -4.283 1.00 5.83 H new ATOM 704 N ASP A 47 -39.152 -10.167 -7.171 1.00 5.24 N ATOM 705 CA ASP A 47 -38.594 -9.484 -8.326 1.00 5.21 C ATOM 706 C ASP A 47 -39.481 -8.308 -8.750 1.00 4.87 C ATOM 707 O ASP A 47 -39.317 -7.725 -9.821 1.00 5.07 O ATOM 708 CB ASP A 47 -38.416 -10.518 -9.444 1.00 5.76 C ATOM 709 CG ASP A 47 -37.801 -9.963 -10.713 1.00 5.90 C ATOM 710 OD1 ASP A 47 -36.615 -9.574 -10.686 1.00 5.92 O ATOM 711 OD2 ASP A 47 -38.498 -9.932 -11.748 1.00 6.09 O ATOM 0 H ASP A 47 -40.048 -10.623 -7.344 1.00 5.24 H new ATOM 0 HA ASP A 47 -37.623 -9.051 -8.084 1.00 5.21 H new ATOM 0 HB2 ASP A 47 -37.790 -11.330 -9.076 1.00 5.76 H new ATOM 0 HB3 ASP A 47 -39.388 -10.949 -9.683 1.00 5.76 H new ATOM 716 N PHE A 48 -40.417 -7.941 -7.880 1.00 4.47 N ATOM 717 CA PHE A 48 -41.301 -6.806 -8.150 1.00 4.28 C ATOM 718 C PHE A 48 -40.654 -5.491 -7.722 1.00 4.06 C ATOM 719 O PHE A 48 -41.139 -4.406 -8.052 1.00 4.10 O ATOM 720 CB PHE A 48 -42.665 -6.986 -7.470 1.00 4.08 C ATOM 721 CG PHE A 48 -43.574 -7.936 -8.201 1.00 4.34 C ATOM 722 CD1 PHE A 48 -43.290 -9.293 -8.256 1.00 4.82 C ATOM 723 CD2 PHE A 48 -44.713 -7.469 -8.835 1.00 4.54 C ATOM 724 CE1 PHE A 48 -44.127 -10.162 -8.928 1.00 5.56 C ATOM 725 CE2 PHE A 48 -45.554 -8.336 -9.507 1.00 5.35 C ATOM 726 CZ PHE A 48 -45.259 -9.684 -9.554 1.00 5.89 C ATOM 0 H PHE A 48 -40.584 -8.407 -6.988 1.00 4.47 H new ATOM 0 HA PHE A 48 -41.466 -6.769 -9.227 1.00 4.28 H new ATOM 0 HB2 PHE A 48 -42.511 -7.350 -6.454 1.00 4.08 H new ATOM 0 HB3 PHE A 48 -43.154 -6.015 -7.390 1.00 4.08 H new ATOM 0 HD1 PHE A 48 -42.405 -9.674 -7.768 1.00 4.82 H new ATOM 0 HD2 PHE A 48 -44.947 -6.415 -8.804 1.00 4.54 H new ATOM 0 HE1 PHE A 48 -43.895 -11.216 -8.963 1.00 5.56 H new ATOM 0 HE2 PHE A 48 -46.441 -7.959 -9.995 1.00 5.35 H new ATOM 0 HZ PHE A 48 -45.914 -10.363 -10.080 1.00 5.89 H new ATOM 736 N ALA A 49 -39.557 -5.593 -6.985 1.00 3.98 N ATOM 737 CA ALA A 49 -38.804 -4.419 -6.571 1.00 3.94 C ATOM 738 C ALA A 49 -37.883 -3.965 -7.695 1.00 4.20 C ATOM 739 O ALA A 49 -38.276 -3.189 -8.564 1.00 4.60 O ATOM 740 CB ALA A 49 -38.012 -4.723 -5.305 1.00 3.76 C ATOM 0 H ALA A 49 -39.169 -6.479 -6.661 1.00 3.98 H new ATOM 0 HA ALA A 49 -39.499 -3.608 -6.351 1.00 3.94 H new ATOM 0 HB1 ALA A 49 -37.452 -3.837 -5.004 1.00 3.76 H new ATOM 0 HB2 ALA A 49 -38.697 -5.007 -4.507 1.00 3.76 H new ATOM 0 HB3 ALA A 49 -37.319 -5.542 -5.497 1.00 3.76 H new ATOM 746 N GLU A 50 -36.667 -4.458 -7.651 1.00 4.24 N ATOM 747 CA GLU A 50 -35.684 -4.242 -8.702 1.00 4.57 C ATOM 748 C GLU A 50 -34.955 -5.552 -8.950 1.00 4.75 C ATOM 749 O GLU A 50 -34.952 -6.414 -8.068 1.00 4.95 O ATOM 750 CB GLU A 50 -34.681 -3.155 -8.296 1.00 4.92 C ATOM 751 CG GLU A 50 -35.286 -1.765 -8.195 1.00 5.05 C ATOM 752 CD GLU A 50 -34.274 -0.714 -7.777 1.00 5.48 C ATOM 753 OE1 GLU A 50 -33.396 -0.366 -8.595 1.00 5.96 O ATOM 754 OE2 GLU A 50 -34.357 -0.217 -6.634 1.00 5.57 O ATOM 0 H GLU A 50 -36.323 -5.028 -6.878 1.00 4.24 H new ATOM 0 HA GLU A 50 -36.189 -3.910 -9.609 1.00 4.57 H new ATOM 0 HB2 GLU A 50 -34.242 -3.420 -7.334 1.00 4.92 H new ATOM 0 HB3 GLU A 50 -33.868 -3.135 -9.022 1.00 4.92 H new ATOM 0 HG2 GLU A 50 -35.714 -1.489 -9.159 1.00 5.05 H new ATOM 0 HG3 GLU A 50 -36.105 -1.781 -7.476 1.00 5.05 H new ATOM 761 N PRO A 51 -34.348 -5.736 -10.139 1.00 4.90 N ATOM 762 CA PRO A 51 -33.565 -6.938 -10.443 1.00 5.25 C ATOM 763 C PRO A 51 -32.567 -7.229 -9.333 1.00 5.72 C ATOM 764 O PRO A 51 -31.668 -6.426 -9.074 1.00 6.20 O ATOM 765 CB PRO A 51 -32.849 -6.578 -11.744 1.00 5.43 C ATOM 766 CG PRO A 51 -33.738 -5.576 -12.395 1.00 5.26 C ATOM 767 CD PRO A 51 -34.385 -4.800 -11.278 1.00 4.99 C ATOM 0 HA PRO A 51 -34.178 -7.835 -10.532 1.00 5.25 H new ATOM 0 HB2 PRO A 51 -31.859 -6.164 -11.551 1.00 5.43 H new ATOM 0 HB3 PRO A 51 -32.710 -7.455 -12.376 1.00 5.43 H new ATOM 0 HG2 PRO A 51 -33.168 -4.916 -13.048 1.00 5.26 H new ATOM 0 HG3 PRO A 51 -34.489 -6.066 -13.014 1.00 5.26 H new ATOM 0 HD2 PRO A 51 -33.840 -3.881 -11.060 1.00 4.99 H new ATOM 0 HD3 PRO A 51 -35.406 -4.513 -11.528 1.00 4.99 H new ATOM 775 N LEU A 52 -32.749 -8.378 -8.682 1.00 5.84 N ATOM 776 CA LEU A 52 -32.046 -8.724 -7.441 1.00 6.50 C ATOM 777 C LEU A 52 -30.553 -8.410 -7.489 1.00 6.46 C ATOM 778 O LEU A 52 -29.755 -9.187 -8.014 1.00 6.65 O ATOM 779 CB LEU A 52 -32.251 -10.205 -7.097 1.00 7.01 C ATOM 780 CG LEU A 52 -33.604 -10.568 -6.470 1.00 7.83 C ATOM 781 CD1 LEU A 52 -33.866 -9.732 -5.231 1.00 8.24 C ATOM 782 CD2 LEU A 52 -34.732 -10.413 -7.471 1.00 8.24 C ATOM 0 H LEU A 52 -33.393 -9.102 -9.001 1.00 5.84 H new ATOM 0 HA LEU A 52 -32.482 -8.099 -6.662 1.00 6.50 H new ATOM 0 HB2 LEU A 52 -32.126 -10.790 -8.008 1.00 7.01 H new ATOM 0 HB3 LEU A 52 -31.461 -10.511 -6.411 1.00 7.01 H new ATOM 0 HG LEU A 52 -33.563 -11.616 -6.173 1.00 7.83 H new ATOM 0 HD11 LEU A 52 -34.830 -10.007 -4.804 1.00 8.24 H new ATOM 0 HD12 LEU A 52 -33.080 -9.912 -4.498 1.00 8.24 H new ATOM 0 HD13 LEU A 52 -33.876 -8.676 -5.500 1.00 8.24 H new ATOM 0 HD21 LEU A 52 -35.678 -10.677 -6.997 1.00 8.24 H new ATOM 0 HD22 LEU A 52 -34.774 -9.379 -7.814 1.00 8.24 H new ATOM 0 HD23 LEU A 52 -34.556 -11.071 -8.322 1.00 8.24 H new ATOM 794 N THR A 53 -30.198 -7.262 -6.929 1.00 6.46 N ATOM 795 CA THR A 53 -28.812 -6.851 -6.802 1.00 6.53 C ATOM 796 C THR A 53 -28.636 -6.103 -5.481 1.00 6.07 C ATOM 797 O THR A 53 -28.309 -4.917 -5.460 1.00 5.77 O ATOM 798 CB THR A 53 -28.386 -5.938 -7.976 1.00 6.80 C ATOM 799 OG1 THR A 53 -28.925 -6.437 -9.213 1.00 7.02 O ATOM 800 CG2 THR A 53 -26.868 -5.864 -8.083 1.00 7.27 C ATOM 0 H THR A 53 -30.866 -6.590 -6.550 1.00 6.46 H new ATOM 0 HA THR A 53 -28.182 -7.740 -6.822 1.00 6.53 H new ATOM 0 HB THR A 53 -28.776 -4.938 -7.783 1.00 6.80 H new ATOM 0 HG1 THR A 53 -29.894 -6.289 -9.231 1.00 7.02 H new ATOM 0 HG21 THR A 53 -26.593 -5.216 -8.916 1.00 7.27 H new ATOM 0 HG22 THR A 53 -26.457 -5.460 -7.158 1.00 7.27 H new ATOM 0 HG23 THR A 53 -26.466 -6.863 -8.252 1.00 7.27 H new ATOM 808 N MET A 54 -28.893 -6.796 -4.379 1.00 6.16 N ATOM 809 CA MET A 54 -28.828 -6.173 -3.063 1.00 5.89 C ATOM 810 C MET A 54 -27.381 -5.935 -2.650 1.00 5.95 C ATOM 811 O MET A 54 -26.546 -6.835 -2.726 1.00 6.39 O ATOM 812 CB MET A 54 -29.551 -7.023 -2.009 1.00 6.24 C ATOM 813 CG MET A 54 -28.965 -8.413 -1.806 1.00 6.48 C ATOM 814 SD MET A 54 -29.762 -9.311 -0.459 1.00 7.13 S ATOM 815 CE MET A 54 -28.920 -10.888 -0.569 1.00 7.41 C ATOM 0 H MET A 54 -29.147 -7.784 -4.369 1.00 6.16 H new ATOM 0 HA MET A 54 -29.335 -5.210 -3.127 1.00 5.89 H new ATOM 0 HB2 MET A 54 -29.531 -6.492 -1.057 1.00 6.24 H new ATOM 0 HB3 MET A 54 -30.598 -7.123 -2.297 1.00 6.24 H new ATOM 0 HG2 MET A 54 -29.066 -8.984 -2.729 1.00 6.48 H new ATOM 0 HG3 MET A 54 -27.898 -8.327 -1.600 1.00 6.48 H new ATOM 0 HE1 MET A 54 -29.301 -11.559 0.201 1.00 7.41 H new ATOM 0 HE2 MET A 54 -29.095 -11.326 -1.551 1.00 7.41 H new ATOM 0 HE3 MET A 54 -27.850 -10.740 -0.424 1.00 7.41 H new ATOM 825 N PRO A 55 -27.058 -4.705 -2.225 1.00 5.59 N ATOM 826 CA PRO A 55 -25.705 -4.334 -1.822 1.00 5.72 C ATOM 827 C PRO A 55 -25.395 -4.750 -0.387 1.00 5.89 C ATOM 828 O PRO A 55 -24.253 -4.659 0.067 1.00 5.88 O ATOM 829 CB PRO A 55 -25.690 -2.801 -1.950 1.00 5.35 C ATOM 830 CG PRO A 55 -27.060 -2.404 -2.418 1.00 5.07 C ATOM 831 CD PRO A 55 -27.970 -3.563 -2.118 1.00 5.14 C ATOM 0 HA PRO A 55 -24.952 -4.829 -2.435 1.00 5.72 H new ATOM 0 HB2 PRO A 55 -25.455 -2.333 -0.994 1.00 5.35 H new ATOM 0 HB3 PRO A 55 -24.928 -2.477 -2.659 1.00 5.35 H new ATOM 0 HG2 PRO A 55 -27.398 -1.503 -1.906 1.00 5.07 H new ATOM 0 HG3 PRO A 55 -27.055 -2.181 -3.485 1.00 5.07 H new ATOM 0 HD2 PRO A 55 -28.413 -3.487 -1.125 1.00 5.14 H new ATOM 0 HD3 PRO A 55 -28.793 -3.630 -2.830 1.00 5.14 H new ATOM 839 N GLY A 56 -26.424 -5.213 0.316 1.00 6.30 N ATOM 840 CA GLY A 56 -26.270 -5.584 1.707 1.00 6.57 C ATOM 841 C GLY A 56 -26.029 -4.376 2.581 1.00 6.46 C ATOM 842 O GLY A 56 -26.300 -3.247 2.175 1.00 6.63 O ATOM 0 H GLY A 56 -27.365 -5.337 -0.057 1.00 6.30 H new ATOM 0 HA2 GLY A 56 -27.165 -6.106 2.046 1.00 6.57 H new ATOM 0 HA3 GLY A 56 -25.437 -6.279 1.809 1.00 6.57 H new ATOM 846 N TYR A 57 -25.516 -4.604 3.776 1.00 6.36 N ATOM 847 CA TYR A 57 -25.188 -3.509 4.673 1.00 6.35 C ATOM 848 C TYR A 57 -23.674 -3.465 4.888 1.00 6.52 C ATOM 849 O TYR A 57 -23.171 -2.876 5.847 1.00 6.67 O ATOM 850 CB TYR A 57 -25.941 -3.648 6.006 1.00 6.28 C ATOM 851 CG TYR A 57 -25.877 -2.406 6.872 1.00 6.80 C ATOM 852 CD1 TYR A 57 -26.227 -1.160 6.367 1.00 7.08 C ATOM 853 CD2 TYR A 57 -25.475 -2.486 8.199 1.00 7.33 C ATOM 854 CE1 TYR A 57 -26.176 -0.030 7.160 1.00 7.82 C ATOM 855 CE2 TYR A 57 -25.421 -1.361 8.998 1.00 8.03 C ATOM 856 CZ TYR A 57 -25.748 -0.121 8.448 1.00 8.26 C ATOM 857 OH TYR A 57 -25.726 0.983 9.270 1.00 9.15 O ATOM 0 H TYR A 57 -25.318 -5.533 4.148 1.00 6.36 H new ATOM 0 HA TYR A 57 -25.504 -2.568 4.223 1.00 6.35 H new ATOM 0 HB2 TYR A 57 -26.985 -3.884 5.801 1.00 6.28 H new ATOM 0 HB3 TYR A 57 -25.527 -4.490 6.561 1.00 6.28 H new ATOM 0 HD1 TYR A 57 -26.544 -1.073 5.338 1.00 7.08 H new ATOM 0 HD2 TYR A 57 -25.200 -3.445 8.613 1.00 7.33 H new ATOM 0 HE1 TYR A 57 -26.476 0.926 6.757 1.00 7.82 H new ATOM 0 HE2 TYR A 57 -25.130 -1.440 10.035 1.00 8.03 H new ATOM 0 HH TYR A 57 -25.391 0.726 10.154 1.00 9.15 H new ATOM 867 N GLY A 58 -22.955 -4.107 3.983 1.00 6.69 N ATOM 868 CA GLY A 58 -21.509 -4.067 4.014 1.00 6.92 C ATOM 869 C GLY A 58 -20.967 -3.146 2.942 1.00 6.80 C ATOM 870 O GLY A 58 -20.746 -3.571 1.807 1.00 6.92 O ATOM 0 H GLY A 58 -23.350 -4.659 3.222 1.00 6.69 H new ATOM 0 HA2 GLY A 58 -21.172 -3.728 4.994 1.00 6.92 H new ATOM 0 HA3 GLY A 58 -21.111 -5.072 3.870 1.00 6.92 H new ATOM 874 N GLY A 59 -20.766 -1.885 3.291 1.00 6.87 N ATOM 875 CA GLY A 59 -20.328 -0.909 2.316 1.00 7.00 C ATOM 876 C GLY A 59 -18.842 -0.644 2.390 1.00 7.03 C ATOM 877 O GLY A 59 -18.266 -0.633 3.478 1.00 7.34 O ATOM 0 H GLY A 59 -20.899 -1.519 4.234 1.00 6.87 H new ATOM 0 HA2 GLY A 59 -20.582 -1.260 1.316 1.00 7.00 H new ATOM 0 HA3 GLY A 59 -20.869 0.024 2.473 1.00 7.00 H new ATOM 881 N ALA A 60 -18.226 -0.453 1.222 1.00 7.00 N ATOM 882 CA ALA A 60 -16.808 -0.109 1.110 1.00 7.26 C ATOM 883 C ALA A 60 -15.904 -1.237 1.608 1.00 6.98 C ATOM 884 O ALA A 60 -16.373 -2.311 1.996 1.00 7.45 O ATOM 885 CB ALA A 60 -16.503 1.191 1.845 1.00 7.80 C ATOM 0 H ALA A 60 -18.700 -0.533 0.322 1.00 7.00 H new ATOM 0 HA ALA A 60 -16.595 0.035 0.051 1.00 7.26 H new ATOM 0 HB1 ALA A 60 -15.443 1.424 1.747 1.00 7.80 H new ATOM 0 HB2 ALA A 60 -17.094 1.999 1.415 1.00 7.80 H new ATOM 0 HB3 ALA A 60 -16.754 1.080 2.900 1.00 7.80 H new ATOM 891 N ALA A 61 -14.601 -0.988 1.568 1.00 6.50 N ATOM 892 CA ALA A 61 -13.614 -1.963 1.999 1.00 6.49 C ATOM 893 C ALA A 61 -12.304 -1.264 2.330 1.00 6.14 C ATOM 894 O ALA A 61 -11.968 -0.242 1.727 1.00 6.28 O ATOM 895 CB ALA A 61 -13.397 -3.003 0.911 1.00 6.73 C ATOM 0 H ALA A 61 -14.203 -0.109 1.237 1.00 6.50 H new ATOM 0 HA ALA A 61 -13.979 -2.466 2.894 1.00 6.49 H new ATOM 0 HB1 ALA A 61 -12.655 -3.729 1.244 1.00 6.73 H new ATOM 0 HB2 ALA A 61 -14.337 -3.514 0.703 1.00 6.73 H new ATOM 0 HB3 ALA A 61 -13.043 -2.513 0.004 1.00 6.73 H new ATOM 901 N SER A 62 -11.570 -1.809 3.286 1.00 6.05 N ATOM 902 CA SER A 62 -10.315 -1.220 3.718 1.00 6.07 C ATOM 903 C SER A 62 -9.203 -1.496 2.705 1.00 5.77 C ATOM 904 O SER A 62 -8.773 -2.639 2.525 1.00 5.85 O ATOM 905 CB SER A 62 -9.942 -1.759 5.099 1.00 6.77 C ATOM 906 OG SER A 62 -10.102 -3.170 5.159 1.00 7.03 O ATOM 0 H SER A 62 -11.825 -2.664 3.780 1.00 6.05 H new ATOM 0 HA SER A 62 -10.438 -0.139 3.783 1.00 6.07 H new ATOM 0 HB2 SER A 62 -8.909 -1.497 5.328 1.00 6.77 H new ATOM 0 HB3 SER A 62 -10.566 -1.287 5.858 1.00 6.77 H new ATOM 0 HG SER A 62 -9.730 -3.576 4.349 1.00 7.03 H new ATOM 912 N ALA A 63 -8.757 -0.441 2.040 1.00 5.78 N ATOM 913 CA ALA A 63 -7.707 -0.542 1.038 1.00 5.81 C ATOM 914 C ALA A 63 -6.369 -0.150 1.643 1.00 5.84 C ATOM 915 O ALA A 63 -6.323 0.499 2.690 1.00 6.18 O ATOM 916 CB ALA A 63 -8.032 0.337 -0.160 1.00 6.23 C ATOM 0 H ALA A 63 -9.111 0.505 2.179 1.00 5.78 H new ATOM 0 HA ALA A 63 -7.644 -1.575 0.697 1.00 5.81 H new ATOM 0 HB1 ALA A 63 -7.237 0.251 -0.901 1.00 6.23 H new ATOM 0 HB2 ALA A 63 -8.976 0.016 -0.601 1.00 6.23 H new ATOM 0 HB3 ALA A 63 -8.116 1.375 0.162 1.00 6.23 H new ATOM 922 N GLY A 64 -5.283 -0.555 1.001 1.00 5.88 N ATOM 923 CA GLY A 64 -3.966 -0.254 1.521 1.00 6.25 C ATOM 924 C GLY A 64 -2.934 -0.082 0.431 1.00 6.50 C ATOM 925 O GLY A 64 -2.474 -1.064 -0.158 1.00 7.09 O ATOM 0 H GLY A 64 -5.291 -1.086 0.130 1.00 5.88 H new ATOM 0 HA2 GLY A 64 -4.015 0.658 2.117 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -3.652 -1.055 2.190 1.00 6.25 H new ATOM 929 N ALA A 65 -2.574 1.162 0.155 1.00 6.31 N ATOM 930 CA ALA A 65 -1.546 1.462 -0.828 1.00 6.70 C ATOM 931 C ALA A 65 -0.190 1.607 -0.146 1.00 6.52 C ATOM 932 O ALA A 65 -0.026 1.186 0.999 1.00 6.63 O ATOM 933 CB ALA A 65 -1.904 2.727 -1.589 1.00 7.10 C ATOM 0 H ALA A 65 -2.982 1.984 0.601 1.00 6.31 H new ATOM 0 HA ALA A 65 -1.485 0.638 -1.539 1.00 6.70 H new ATOM 0 HB1 ALA A 65 -1.127 2.942 -2.323 1.00 7.10 H new ATOM 0 HB2 ALA A 65 -2.857 2.587 -2.100 1.00 7.10 H new ATOM 0 HB3 ALA A 65 -1.985 3.561 -0.891 1.00 7.10 H new ATOM 939 N SER A 66 0.774 2.198 -0.839 1.00 6.56 N ATOM 940 CA SER A 66 2.101 2.395 -0.274 1.00 6.64 C ATOM 941 C SER A 66 2.046 3.325 0.940 1.00 6.65 C ATOM 942 O SER A 66 1.766 4.519 0.814 1.00 7.09 O ATOM 943 CB SER A 66 3.045 2.959 -1.335 1.00 7.21 C ATOM 944 OG SER A 66 3.094 2.110 -2.469 1.00 7.60 O ATOM 0 H SER A 66 0.662 2.548 -1.790 1.00 6.56 H new ATOM 0 HA SER A 66 2.480 1.428 0.058 1.00 6.64 H new ATOM 0 HB2 SER A 66 2.711 3.953 -1.634 1.00 7.21 H new ATOM 0 HB3 SER A 66 4.045 3.071 -0.916 1.00 7.21 H new ATOM 0 HG SER A 66 3.702 2.490 -3.136 1.00 7.60 H new ATOM 950 N VAL A 67 2.306 2.770 2.111 1.00 6.47 N ATOM 951 CA VAL A 67 2.269 3.538 3.350 1.00 6.78 C ATOM 952 C VAL A 67 3.680 3.879 3.824 1.00 6.57 C ATOM 953 O VAL A 67 4.018 3.692 4.995 1.00 6.79 O ATOM 954 CB VAL A 67 1.507 2.782 4.465 1.00 7.44 C ATOM 955 CG1 VAL A 67 0.018 2.733 4.155 1.00 7.83 C ATOM 956 CG2 VAL A 67 2.058 1.372 4.638 1.00 8.01 C ATOM 0 H VAL A 67 2.546 1.786 2.233 1.00 6.47 H new ATOM 0 HA VAL A 67 1.735 4.464 3.138 1.00 6.78 H new ATOM 0 HB VAL A 67 1.651 3.323 5.400 1.00 7.44 H new ATOM 0 HG11 VAL A 67 -0.502 2.198 4.950 1.00 7.83 H new ATOM 0 HG12 VAL A 67 -0.373 3.748 4.086 1.00 7.83 H new ATOM 0 HG13 VAL A 67 -0.140 2.218 3.207 1.00 7.83 H new ATOM 0 HG21 VAL A 67 1.507 0.860 5.427 1.00 8.01 H new ATOM 0 HG22 VAL A 67 1.949 0.822 3.704 1.00 8.01 H new ATOM 0 HG23 VAL A 67 3.113 1.424 4.907 1.00 8.01 H new ATOM 966 N PHE A 68 4.482 4.397 2.890 1.00 6.43 N ATOM 967 CA PHE A 68 5.884 4.746 3.133 1.00 6.47 C ATOM 968 C PHE A 68 6.754 3.491 3.217 1.00 6.31 C ATOM 969 O PHE A 68 6.323 2.447 3.711 1.00 6.38 O ATOM 970 CB PHE A 68 6.042 5.598 4.404 1.00 6.80 C ATOM 971 CG PHE A 68 7.468 5.952 4.731 1.00 6.98 C ATOM 972 CD1 PHE A 68 8.114 6.977 4.057 1.00 7.16 C ATOM 973 CD2 PHE A 68 8.167 5.253 5.707 1.00 7.33 C ATOM 974 CE1 PHE A 68 9.424 7.300 4.351 1.00 7.69 C ATOM 975 CE2 PHE A 68 9.478 5.571 6.001 1.00 7.87 C ATOM 976 CZ PHE A 68 10.106 6.596 5.323 1.00 8.06 C ATOM 0 H PHE A 68 4.174 4.587 1.936 1.00 6.43 H new ATOM 0 HA PHE A 68 6.222 5.344 2.286 1.00 6.47 H new ATOM 0 HB2 PHE A 68 5.468 6.517 4.286 1.00 6.80 H new ATOM 0 HB3 PHE A 68 5.610 5.058 5.247 1.00 6.80 H new ATOM 0 HD1 PHE A 68 7.587 7.529 3.293 1.00 7.16 H new ATOM 0 HD2 PHE A 68 7.679 4.452 6.242 1.00 7.33 H new ATOM 0 HE1 PHE A 68 9.915 8.103 3.821 1.00 7.69 H new ATOM 0 HE2 PHE A 68 10.011 5.018 6.760 1.00 7.87 H new ATOM 0 HZ PHE A 68 11.131 6.847 5.553 1.00 8.06 H new ATOM 986 N GLY A 69 7.972 3.597 2.709 1.00 6.44 N ATOM 987 CA GLY A 69 8.904 2.494 2.776 1.00 6.62 C ATOM 988 C GLY A 69 10.333 2.963 2.626 1.00 6.34 C ATOM 989 O GLY A 69 10.576 4.088 2.185 1.00 6.59 O ATOM 0 H GLY A 69 8.332 4.433 2.249 1.00 6.44 H new ATOM 0 HA2 GLY A 69 8.788 1.977 3.728 1.00 6.62 H new ATOM 0 HA3 GLY A 69 8.673 1.773 1.992 1.00 6.62 H new ATOM 993 N ALA A 70 11.278 2.112 2.998 1.00 6.06 N ATOM 994 CA ALA A 70 12.690 2.437 2.867 1.00 5.92 C ATOM 995 C ALA A 70 13.181 2.143 1.454 1.00 5.81 C ATOM 996 O ALA A 70 13.236 0.987 1.037 1.00 5.53 O ATOM 997 CB ALA A 70 13.510 1.662 3.886 1.00 6.12 C ATOM 0 H ALA A 70 11.092 1.190 3.393 1.00 6.06 H new ATOM 0 HA ALA A 70 12.816 3.503 3.059 1.00 5.92 H new ATOM 0 HB1 ALA A 70 14.564 1.917 3.774 1.00 6.12 H new ATOM 0 HB2 ALA A 70 13.179 1.920 4.892 1.00 6.12 H new ATOM 0 HB3 ALA A 70 13.376 0.593 3.723 1.00 6.12 H new ATOM 1003 N SER A 71 13.541 3.191 0.728 1.00 6.37 N ATOM 1004 CA SER A 71 13.983 3.061 -0.658 1.00 6.69 C ATOM 1005 C SER A 71 15.465 2.686 -0.741 1.00 6.62 C ATOM 1006 O SER A 71 16.217 3.261 -1.529 1.00 7.18 O ATOM 1007 CB SER A 71 13.740 4.376 -1.399 1.00 7.32 C ATOM 1008 OG SER A 71 12.396 4.807 -1.241 1.00 7.65 O ATOM 0 H SER A 71 13.536 4.149 1.077 1.00 6.37 H new ATOM 0 HA SER A 71 13.408 2.261 -1.124 1.00 6.69 H new ATOM 0 HB2 SER A 71 14.418 5.141 -1.021 1.00 7.32 H new ATOM 0 HB3 SER A 71 13.963 4.247 -2.458 1.00 7.32 H new ATOM 0 HG SER A 71 12.264 5.651 -1.722 1.00 7.65 H new ATOM 1014 N GLY A 72 15.877 1.722 0.072 1.00 6.18 N ATOM 1015 CA GLY A 72 17.263 1.304 0.082 1.00 6.25 C ATOM 1016 C GLY A 72 18.188 2.400 0.570 1.00 5.97 C ATOM 1017 O GLY A 72 18.840 3.076 -0.225 1.00 6.22 O ATOM 0 H GLY A 72 15.274 1.222 0.725 1.00 6.18 H new ATOM 0 HA2 GLY A 72 17.372 0.428 0.721 1.00 6.25 H new ATOM 0 HA3 GLY A 72 17.557 1.004 -0.924 1.00 6.25 H new ATOM 1021 N LEU A 73 18.253 2.576 1.882 1.00 5.83 N ATOM 1022 CA LEU A 73 19.074 3.626 2.473 1.00 5.94 C ATOM 1023 C LEU A 73 20.476 3.112 2.768 1.00 5.82 C ATOM 1024 O LEU A 73 21.263 3.771 3.452 1.00 6.29 O ATOM 1025 CB LEU A 73 18.434 4.162 3.758 1.00 6.31 C ATOM 1026 CG LEU A 73 17.338 5.217 3.561 1.00 6.87 C ATOM 1027 CD1 LEU A 73 17.898 6.429 2.837 1.00 7.29 C ATOM 1028 CD2 LEU A 73 16.158 4.641 2.798 1.00 6.85 C ATOM 0 H LEU A 73 17.747 2.005 2.559 1.00 5.83 H new ATOM 0 HA LEU A 73 19.143 4.440 1.752 1.00 5.94 H new ATOM 0 HB2 LEU A 73 18.011 3.323 4.310 1.00 6.31 H new ATOM 0 HB3 LEU A 73 19.218 4.591 4.382 1.00 6.31 H new ATOM 0 HG LEU A 73 16.984 5.528 4.544 1.00 6.87 H new ATOM 0 HD11 LEU A 73 17.110 7.170 2.704 1.00 7.29 H new ATOM 0 HD12 LEU A 73 18.707 6.862 3.425 1.00 7.29 H new ATOM 0 HD13 LEU A 73 18.280 6.126 1.862 1.00 7.29 H new ATOM 0 HD21 LEU A 73 15.396 5.410 2.672 1.00 6.85 H new ATOM 0 HD22 LEU A 73 16.491 4.297 1.819 1.00 6.85 H new ATOM 0 HD23 LEU A 73 15.739 3.802 3.354 1.00 6.85 H new ATOM 1040 N ASP A 74 20.784 1.938 2.235 1.00 5.46 N ATOM 1041 CA ASP A 74 22.060 1.293 2.482 1.00 5.52 C ATOM 1042 C ASP A 74 23.108 1.767 1.488 1.00 5.36 C ATOM 1043 O ASP A 74 22.956 1.608 0.275 1.00 5.45 O ATOM 1044 CB ASP A 74 21.912 -0.229 2.406 1.00 5.72 C ATOM 1045 CG ASP A 74 21.005 -0.778 3.487 1.00 6.00 C ATOM 1046 OD1 ASP A 74 21.501 -1.064 4.596 1.00 6.55 O ATOM 1047 OD2 ASP A 74 19.788 -0.930 3.230 1.00 5.97 O ATOM 0 H ASP A 74 20.160 1.411 1.624 1.00 5.46 H new ATOM 0 HA ASP A 74 22.389 1.566 3.485 1.00 5.52 H new ATOM 0 HB2 ASP A 74 21.515 -0.504 1.429 1.00 5.72 H new ATOM 0 HB3 ASP A 74 22.895 -0.691 2.492 1.00 5.72 H new ATOM 1052 N ASN A 75 24.167 2.352 2.015 1.00 5.42 N ATOM 1053 CA ASN A 75 25.269 2.842 1.204 1.00 5.53 C ATOM 1054 C ASN A 75 26.580 2.401 1.829 1.00 5.17 C ATOM 1055 O ASN A 75 27.569 3.129 1.823 1.00 5.23 O ATOM 1056 CB ASN A 75 25.228 4.374 1.081 1.00 6.23 C ATOM 1057 CG ASN A 75 25.401 5.096 2.413 1.00 6.80 C ATOM 1058 OD1 ASN A 75 24.946 4.630 3.461 1.00 6.88 O ATOM 1059 ND2 ASN A 75 26.073 6.238 2.381 1.00 7.51 N ATOM 0 H ASN A 75 24.289 2.502 3.017 1.00 5.42 H new ATOM 0 HA ASN A 75 25.180 2.426 0.200 1.00 5.53 H new ATOM 0 HB2 ASN A 75 26.013 4.697 0.397 1.00 6.23 H new ATOM 0 HB3 ASN A 75 24.277 4.670 0.637 1.00 6.23 H new ATOM 0 HD21 ASN A 75 26.229 6.762 3.242 1.00 7.51 H new ATOM 0 HD22 ASN A 75 26.435 6.592 1.495 1.00 7.51 H new ATOM 1066 N GLN A 76 26.573 1.199 2.380 1.00 5.05 N ATOM 1067 CA GLN A 76 27.726 0.685 3.086 1.00 4.93 C ATOM 1068 C GLN A 76 28.248 -0.581 2.409 1.00 4.67 C ATOM 1069 O GLN A 76 27.467 -1.438 1.995 1.00 4.88 O ATOM 1070 CB GLN A 76 27.354 0.383 4.537 1.00 5.47 C ATOM 1071 CG GLN A 76 28.551 0.071 5.416 1.00 5.74 C ATOM 1072 CD GLN A 76 28.156 -0.546 6.746 1.00 6.61 C ATOM 1073 OE1 GLN A 76 28.893 -1.353 7.312 1.00 7.14 O ATOM 1074 NE2 GLN A 76 26.997 -0.165 7.261 1.00 7.04 N ATOM 0 H GLN A 76 25.777 0.562 2.350 1.00 5.05 H new ATOM 0 HA GLN A 76 28.512 1.440 3.065 1.00 4.93 H new ATOM 0 HB2 GLN A 76 26.821 1.238 4.953 1.00 5.47 H new ATOM 0 HB3 GLN A 76 26.667 -0.463 4.559 1.00 5.47 H new ATOM 0 HG2 GLN A 76 29.217 -0.611 4.887 1.00 5.74 H new ATOM 0 HG3 GLN A 76 29.112 0.988 5.598 1.00 5.74 H new ATOM 0 HE21 GLN A 76 26.413 0.506 6.762 1.00 7.04 H new ATOM 0 HE22 GLN A 76 26.688 -0.543 8.157 1.00 7.04 H new ATOM 1083 N PRO A 77 29.579 -0.685 2.256 1.00 4.45 N ATOM 1084 CA PRO A 77 30.247 -1.902 1.779 1.00 4.52 C ATOM 1085 C PRO A 77 29.877 -3.134 2.600 1.00 5.11 C ATOM 1086 O PRO A 77 29.313 -3.015 3.689 1.00 5.41 O ATOM 1087 CB PRO A 77 31.724 -1.582 1.982 1.00 4.27 C ATOM 1088 CG PRO A 77 31.804 -0.113 1.882 1.00 4.17 C ATOM 1089 CD PRO A 77 30.542 0.401 2.504 1.00 4.44 C ATOM 0 HA PRO A 77 29.968 -2.141 0.753 1.00 4.52 H new ATOM 0 HB2 PRO A 77 32.076 -1.933 2.952 1.00 4.27 H new ATOM 0 HB3 PRO A 77 32.342 -2.065 1.225 1.00 4.27 H new ATOM 0 HG2 PRO A 77 32.682 0.268 2.403 1.00 4.17 H new ATOM 0 HG3 PRO A 77 31.887 0.205 0.843 1.00 4.17 H new ATOM 0 HD2 PRO A 77 30.667 0.593 3.570 1.00 4.44 H new ATOM 0 HD3 PRO A 77 30.220 1.337 2.047 1.00 4.44 H new ATOM 1097 N PRO A 78 30.218 -4.336 2.101 1.00 5.63 N ATOM 1098 CA PRO A 78 29.906 -5.588 2.792 1.00 6.52 C ATOM 1099 C PRO A 78 30.621 -5.669 4.133 1.00 6.80 C ATOM 1100 O PRO A 78 31.850 -5.754 4.186 1.00 6.74 O ATOM 1101 CB PRO A 78 30.422 -6.667 1.829 1.00 7.14 C ATOM 1102 CG PRO A 78 31.460 -5.974 1.023 1.00 6.55 C ATOM 1103 CD PRO A 78 30.964 -4.577 0.850 1.00 5.69 C ATOM 0 HA PRO A 78 28.845 -5.692 3.019 1.00 6.52 H new ATOM 0 HB2 PRO A 78 30.840 -7.516 2.370 1.00 7.14 H new ATOM 0 HB3 PRO A 78 29.621 -7.053 1.199 1.00 7.14 H new ATOM 0 HG2 PRO A 78 32.425 -5.988 1.530 1.00 6.55 H new ATOM 0 HG3 PRO A 78 31.600 -6.463 0.059 1.00 6.55 H new ATOM 0 HD2 PRO A 78 31.784 -3.870 0.726 1.00 5.69 H new ATOM 0 HD3 PRO A 78 30.324 -4.481 -0.027 1.00 5.69 H new ATOM 1111 N GLU A 79 29.846 -5.617 5.213 1.00 7.24 N ATOM 1112 CA GLU A 79 30.389 -5.665 6.563 1.00 7.85 C ATOM 1113 C GLU A 79 31.219 -6.925 6.769 1.00 8.62 C ATOM 1114 O GLU A 79 32.130 -6.952 7.591 1.00 8.98 O ATOM 1115 CB GLU A 79 29.258 -5.600 7.586 1.00 8.51 C ATOM 1116 CG GLU A 79 28.338 -6.806 7.552 1.00 9.18 C ATOM 1117 CD GLU A 79 27.020 -6.566 8.261 1.00 9.68 C ATOM 1118 OE1 GLU A 79 26.953 -6.770 9.492 1.00 10.13 O ATOM 1119 OE2 GLU A 79 26.041 -6.184 7.589 1.00 9.76 O ATOM 0 H GLU A 79 28.830 -5.541 5.175 1.00 7.24 H new ATOM 0 HA GLU A 79 31.041 -4.803 6.703 1.00 7.85 H new ATOM 0 HB2 GLU A 79 29.687 -5.509 8.584 1.00 8.51 H new ATOM 0 HB3 GLU A 79 28.670 -4.700 7.408 1.00 8.51 H new ATOM 0 HG2 GLU A 79 28.142 -7.077 6.515 1.00 9.18 H new ATOM 0 HG3 GLU A 79 28.843 -7.655 8.013 1.00 9.18 H new ATOM 1126 N GLU A 80 30.895 -7.961 6.014 1.00 9.00 N ATOM 1127 CA GLU A 80 31.684 -9.172 5.994 1.00 9.80 C ATOM 1128 C GLU A 80 33.110 -8.870 5.563 1.00 9.30 C ATOM 1129 O GLU A 80 34.068 -9.231 6.246 1.00 9.74 O ATOM 1130 CB GLU A 80 31.038 -10.175 5.043 1.00 10.33 C ATOM 1131 CG GLU A 80 32.013 -11.139 4.395 1.00 10.80 C ATOM 1132 CD GLU A 80 31.320 -12.159 3.521 1.00 11.40 C ATOM 1133 OE1 GLU A 80 30.930 -13.225 4.041 1.00 11.78 O ATOM 1134 OE2 GLU A 80 31.168 -11.900 2.310 1.00 11.61 O ATOM 0 H GLU A 80 30.080 -7.983 5.401 1.00 9.00 H new ATOM 0 HA GLU A 80 31.719 -9.598 6.997 1.00 9.80 H new ATOM 0 HB2 GLU A 80 30.290 -10.747 5.591 1.00 10.33 H new ATOM 0 HB3 GLU A 80 30.511 -9.629 4.261 1.00 10.33 H new ATOM 0 HG2 GLU A 80 32.730 -10.578 3.795 1.00 10.80 H new ATOM 0 HG3 GLU A 80 32.580 -11.654 5.170 1.00 10.80 H new ATOM 1141 N ILE A 81 33.241 -8.176 4.448 1.00 8.42 N ATOM 1142 CA ILE A 81 34.543 -7.903 3.877 1.00 7.96 C ATOM 1143 C ILE A 81 35.267 -6.813 4.635 1.00 7.34 C ATOM 1144 O ILE A 81 36.466 -6.930 4.878 1.00 7.45 O ATOM 1145 CB ILE A 81 34.448 -7.522 2.395 1.00 7.44 C ATOM 1146 CG1 ILE A 81 33.973 -8.716 1.571 1.00 8.39 C ATOM 1147 CG2 ILE A 81 35.790 -7.024 1.902 1.00 6.94 C ATOM 1148 CD1 ILE A 81 33.812 -8.395 0.104 1.00 8.28 C ATOM 0 H ILE A 81 32.458 -7.791 3.920 1.00 8.42 H new ATOM 0 HA ILE A 81 35.114 -8.827 3.961 1.00 7.96 H new ATOM 0 HB ILE A 81 33.719 -6.720 2.279 1.00 7.44 H new ATOM 0 HG12 ILE A 81 34.685 -9.533 1.682 1.00 8.39 H new ATOM 0 HG13 ILE A 81 33.020 -9.067 1.967 1.00 8.39 H new ATOM 0 HG21 ILE A 81 35.714 -6.756 0.848 1.00 6.94 H new ATOM 0 HG22 ILE A 81 36.088 -6.148 2.479 1.00 6.94 H new ATOM 0 HG23 ILE A 81 36.536 -7.809 2.023 1.00 6.94 H new ATOM 0 HD11 ILE A 81 33.472 -9.284 -0.428 1.00 8.28 H new ATOM 0 HD12 ILE A 81 33.078 -7.598 -0.016 1.00 8.28 H new ATOM 0 HD13 ILE A 81 34.769 -8.071 -0.305 1.00 8.28 H new ATOM 1160 N VAL A 82 34.550 -5.762 5.023 1.00 6.83 N ATOM 1161 CA VAL A 82 35.166 -4.698 5.794 1.00 6.55 C ATOM 1162 C VAL A 82 35.801 -5.307 7.038 1.00 7.54 C ATOM 1163 O VAL A 82 36.895 -4.925 7.446 1.00 7.57 O ATOM 1164 CB VAL A 82 34.168 -3.586 6.196 1.00 6.32 C ATOM 1165 CG1 VAL A 82 33.410 -3.065 4.986 1.00 5.50 C ATOM 1166 CG2 VAL A 82 33.205 -4.061 7.270 1.00 7.25 C ATOM 0 H VAL A 82 33.560 -5.629 4.819 1.00 6.83 H new ATOM 0 HA VAL A 82 35.918 -4.221 5.166 1.00 6.55 H new ATOM 0 HB VAL A 82 34.750 -2.764 6.612 1.00 6.32 H new ATOM 0 HG11 VAL A 82 32.716 -2.285 5.299 1.00 5.50 H new ATOM 0 HG12 VAL A 82 34.116 -2.654 4.264 1.00 5.50 H new ATOM 0 HG13 VAL A 82 32.854 -3.882 4.526 1.00 5.50 H new ATOM 0 HG21 VAL A 82 32.519 -3.254 7.527 1.00 7.25 H new ATOM 0 HG22 VAL A 82 32.638 -4.914 6.898 1.00 7.25 H new ATOM 0 HG23 VAL A 82 33.766 -4.357 8.157 1.00 7.25 H new ATOM 1176 N ALA A 83 35.102 -6.298 7.590 1.00 8.43 N ATOM 1177 CA ALA A 83 35.567 -7.075 8.722 1.00 9.53 C ATOM 1178 C ALA A 83 36.842 -7.831 8.374 1.00 9.70 C ATOM 1179 O ALA A 83 37.820 -7.782 9.116 1.00 10.09 O ATOM 1180 CB ALA A 83 34.475 -8.040 9.128 1.00 10.39 C ATOM 0 H ALA A 83 34.183 -6.583 7.252 1.00 8.43 H new ATOM 0 HA ALA A 83 35.797 -6.406 9.551 1.00 9.53 H new ATOM 0 HB1 ALA A 83 34.811 -8.632 9.979 1.00 10.39 H new ATOM 0 HB2 ALA A 83 33.580 -7.482 9.404 1.00 10.39 H new ATOM 0 HB3 ALA A 83 34.246 -8.702 8.293 1.00 10.39 H new ATOM 1186 N ILE A 84 36.828 -8.514 7.236 1.00 9.53 N ATOM 1187 CA ILE A 84 37.987 -9.268 6.774 1.00 9.80 C ATOM 1188 C ILE A 84 39.189 -8.347 6.591 1.00 9.04 C ATOM 1189 O ILE A 84 40.308 -8.680 6.981 1.00 9.43 O ATOM 1190 CB ILE A 84 37.676 -9.981 5.440 1.00 9.84 C ATOM 1191 CG1 ILE A 84 36.591 -11.038 5.652 1.00 10.78 C ATOM 1192 CG2 ILE A 84 38.935 -10.615 4.863 1.00 10.13 C ATOM 1193 CD1 ILE A 84 35.714 -11.268 4.444 1.00 10.71 C ATOM 0 H ILE A 84 36.022 -8.561 6.613 1.00 9.53 H new ATOM 0 HA ILE A 84 38.223 -10.016 7.531 1.00 9.80 H new ATOM 0 HB ILE A 84 37.311 -9.242 4.726 1.00 9.84 H new ATOM 0 HG12 ILE A 84 37.065 -11.980 5.929 1.00 10.78 H new ATOM 0 HG13 ILE A 84 35.964 -10.737 6.492 1.00 10.78 H new ATOM 0 HG21 ILE A 84 38.694 -11.112 3.923 1.00 10.13 H new ATOM 0 HG22 ILE A 84 39.682 -9.842 4.683 1.00 10.13 H new ATOM 0 HG23 ILE A 84 39.331 -11.345 5.569 1.00 10.13 H new ATOM 0 HD11 ILE A 84 34.970 -12.031 4.674 1.00 10.71 H new ATOM 0 HD12 ILE A 84 35.210 -10.339 4.178 1.00 10.71 H new ATOM 0 HD13 ILE A 84 36.328 -11.601 3.607 1.00 10.71 H new ATOM 1205 N ILE A 85 38.940 -7.181 6.024 1.00 8.01 N ATOM 1206 CA ILE A 85 39.990 -6.220 5.747 1.00 7.27 C ATOM 1207 C ILE A 85 40.622 -5.701 7.031 1.00 7.66 C ATOM 1208 O ILE A 85 41.847 -5.615 7.137 1.00 7.73 O ATOM 1209 CB ILE A 85 39.446 -5.045 4.929 1.00 6.22 C ATOM 1210 CG1 ILE A 85 38.888 -5.565 3.609 1.00 6.07 C ATOM 1211 CG2 ILE A 85 40.533 -4.007 4.693 1.00 5.61 C ATOM 1212 CD1 ILE A 85 38.139 -4.531 2.799 1.00 5.25 C ATOM 0 H ILE A 85 38.008 -6.875 5.744 1.00 8.01 H new ATOM 0 HA ILE A 85 40.757 -6.735 5.169 1.00 7.27 H new ATOM 0 HB ILE A 85 38.644 -4.559 5.484 1.00 6.22 H new ATOM 0 HG12 ILE A 85 39.710 -5.954 3.008 1.00 6.07 H new ATOM 0 HG13 ILE A 85 38.220 -6.402 3.815 1.00 6.07 H new ATOM 0 HG21 ILE A 85 40.126 -3.180 4.110 1.00 5.61 H new ATOM 0 HG22 ILE A 85 40.893 -3.633 5.651 1.00 5.61 H new ATOM 0 HG23 ILE A 85 41.360 -4.463 4.148 1.00 5.61 H new ATOM 0 HD11 ILE A 85 37.776 -4.984 1.877 1.00 5.25 H new ATOM 0 HD12 ILE A 85 37.293 -4.158 3.377 1.00 5.25 H new ATOM 0 HD13 ILE A 85 38.807 -3.704 2.558 1.00 5.25 H new ATOM 1224 N THR A 86 39.797 -5.363 8.009 1.00 8.07 N ATOM 1225 CA THR A 86 40.324 -4.908 9.286 1.00 8.77 C ATOM 1226 C THR A 86 40.913 -6.082 10.082 1.00 9.82 C ATOM 1227 O THR A 86 41.765 -5.889 10.952 1.00 10.38 O ATOM 1228 CB THR A 86 39.288 -4.106 10.123 1.00 9.14 C ATOM 1229 OG1 THR A 86 39.761 -3.911 11.459 1.00 10.16 O ATOM 1230 CG2 THR A 86 37.921 -4.763 10.147 1.00 9.36 C ATOM 0 H THR A 86 38.779 -5.394 7.947 1.00 8.07 H new ATOM 0 HA THR A 86 41.129 -4.208 9.063 1.00 8.77 H new ATOM 0 HB THR A 86 39.174 -3.139 9.633 1.00 9.14 H new ATOM 0 HG1 THR A 86 40.633 -3.465 11.435 1.00 10.16 H new ATOM 0 HG21 THR A 86 37.238 -4.160 10.746 1.00 9.36 H new ATOM 0 HG22 THR A 86 37.538 -4.843 9.130 1.00 9.36 H new ATOM 0 HG23 THR A 86 38.003 -5.759 10.583 1.00 9.36 H new ATOM 1238 N SER A 87 40.489 -7.302 9.749 1.00 10.16 N ATOM 1239 CA SER A 87 41.102 -8.504 10.309 1.00 11.17 C ATOM 1240 C SER A 87 42.486 -8.722 9.698 1.00 10.93 C ATOM 1241 O SER A 87 43.364 -9.324 10.314 1.00 11.68 O ATOM 1242 CB SER A 87 40.220 -9.737 10.064 1.00 11.77 C ATOM 1243 OG SER A 87 38.939 -9.581 10.656 1.00 12.35 O ATOM 0 H SER A 87 39.726 -7.482 9.096 1.00 10.16 H new ATOM 0 HA SER A 87 41.203 -8.364 11.385 1.00 11.17 H new ATOM 0 HB2 SER A 87 40.110 -9.901 8.992 1.00 11.77 H new ATOM 0 HB3 SER A 87 40.707 -10.622 10.473 1.00 11.77 H new ATOM 0 HG SER A 87 38.380 -9.016 10.083 1.00 12.35 H new ATOM 1249 N MET A 88 42.672 -8.216 8.480 1.00 9.91 N ATOM 1250 CA MET A 88 43.968 -8.280 7.804 1.00 9.62 C ATOM 1251 C MET A 88 44.978 -7.385 8.505 1.00 9.52 C ATOM 1252 O MET A 88 46.186 -7.621 8.450 1.00 9.66 O ATOM 1253 CB MET A 88 43.846 -7.843 6.344 1.00 8.63 C ATOM 1254 CG MET A 88 43.064 -8.805 5.464 1.00 8.93 C ATOM 1255 SD MET A 88 43.825 -10.436 5.349 1.00 10.15 S ATOM 1256 CE MET A 88 42.688 -11.254 4.229 1.00 10.33 C ATOM 0 H MET A 88 41.940 -7.756 7.939 1.00 9.91 H new ATOM 0 HA MET A 88 44.308 -9.315 7.840 1.00 9.62 H new ATOM 0 HB2 MET A 88 43.365 -6.865 6.309 1.00 8.63 H new ATOM 0 HB3 MET A 88 44.847 -7.721 5.929 1.00 8.63 H new ATOM 0 HG2 MET A 88 42.053 -8.909 5.859 1.00 8.93 H new ATOM 0 HG3 MET A 88 42.974 -8.381 4.464 1.00 8.93 H new ATOM 0 HE1 MET A 88 43.059 -12.253 4.000 1.00 10.33 H new ATOM 0 HE2 MET A 88 41.707 -11.330 4.698 1.00 10.33 H new ATOM 0 HE3 MET A 88 42.606 -10.677 3.308 1.00 10.33 H new ATOM 1266 N GLY A 89 44.467 -6.356 9.157 1.00 9.41 N ATOM 1267 CA GLY A 89 45.313 -5.407 9.838 1.00 9.53 C ATOM 1268 C GLY A 89 44.917 -3.983 9.525 1.00 8.82 C ATOM 1269 O GLY A 89 45.451 -3.036 10.101 1.00 9.04 O ATOM 0 H GLY A 89 43.468 -6.161 9.226 1.00 9.41 H new ATOM 0 HA2 GLY A 89 45.255 -5.573 10.914 1.00 9.53 H new ATOM 0 HA3 GLY A 89 46.351 -5.569 9.546 1.00 9.53 H new ATOM 1273 N PHE A 90 43.973 -3.829 8.608 1.00 8.10 N ATOM 1274 CA PHE A 90 43.491 -2.517 8.219 1.00 7.50 C ATOM 1275 C PHE A 90 42.352 -2.085 9.136 1.00 8.05 C ATOM 1276 O PHE A 90 42.077 -2.735 10.142 1.00 8.89 O ATOM 1277 CB PHE A 90 43.052 -2.542 6.753 1.00 6.45 C ATOM 1278 CG PHE A 90 44.175 -2.920 5.828 1.00 6.07 C ATOM 1279 CD1 PHE A 90 45.391 -2.257 5.885 1.00 6.07 C ATOM 1280 CD2 PHE A 90 44.022 -3.945 4.912 1.00 5.98 C ATOM 1281 CE1 PHE A 90 46.430 -2.610 5.045 1.00 5.89 C ATOM 1282 CE2 PHE A 90 45.058 -4.303 4.070 1.00 5.84 C ATOM 1283 CZ PHE A 90 46.263 -3.633 4.136 1.00 5.76 C ATOM 0 H PHE A 90 43.525 -4.603 8.118 1.00 8.10 H new ATOM 0 HA PHE A 90 44.294 -1.787 8.320 1.00 7.50 H new ATOM 0 HB2 PHE A 90 42.232 -3.250 6.634 1.00 6.45 H new ATOM 0 HB3 PHE A 90 42.669 -1.560 6.474 1.00 6.45 H new ATOM 0 HD1 PHE A 90 45.528 -1.455 6.595 1.00 6.07 H new ATOM 0 HD2 PHE A 90 43.081 -4.472 4.854 1.00 5.98 H new ATOM 0 HE1 PHE A 90 47.372 -2.085 5.101 1.00 5.89 H new ATOM 0 HE2 PHE A 90 44.925 -5.107 3.361 1.00 5.84 H new ATOM 0 HZ PHE A 90 47.073 -3.909 3.477 1.00 5.76 H new ATOM 1293 N GLN A 91 41.712 -0.980 8.802 1.00 7.71 N ATOM 1294 CA GLN A 91 40.604 -0.473 9.589 1.00 8.28 C ATOM 1295 C GLN A 91 39.286 -0.779 8.888 1.00 7.66 C ATOM 1296 O GLN A 91 39.244 -0.802 7.661 1.00 6.72 O ATOM 1297 CB GLN A 91 40.770 1.035 9.792 1.00 8.59 C ATOM 1298 CG GLN A 91 39.600 1.688 10.492 1.00 9.30 C ATOM 1299 CD GLN A 91 39.803 3.172 10.707 1.00 9.79 C ATOM 1300 OE1 GLN A 91 39.436 3.987 9.862 1.00 10.05 O ATOM 1301 NE2 GLN A 91 40.391 3.530 11.837 1.00 10.16 N ATOM 0 H GLN A 91 41.943 -0.413 7.986 1.00 7.71 H new ATOM 0 HA GLN A 91 40.596 -0.960 10.564 1.00 8.28 H new ATOM 0 HB2 GLN A 91 41.675 1.217 10.371 1.00 8.59 H new ATOM 0 HB3 GLN A 91 40.912 1.510 8.821 1.00 8.59 H new ATOM 0 HG2 GLN A 91 38.696 1.530 9.904 1.00 9.30 H new ATOM 0 HG3 GLN A 91 39.442 1.204 11.456 1.00 9.30 H new ATOM 0 HE21 GLN A 91 40.679 2.819 12.510 1.00 10.16 H new ATOM 0 HE22 GLN A 91 40.556 4.517 12.036 1.00 10.16 H new ATOM 1310 N ARG A 92 38.226 -1.025 9.651 1.00 8.25 N ATOM 1311 CA ARG A 92 36.920 -1.323 9.066 1.00 7.79 C ATOM 1312 C ARG A 92 36.486 -0.192 8.148 1.00 7.08 C ATOM 1313 O ARG A 92 36.150 -0.410 6.990 1.00 6.21 O ATOM 1314 CB ARG A 92 35.862 -1.509 10.147 1.00 8.69 C ATOM 1315 CG ARG A 92 34.499 -1.814 9.562 1.00 8.30 C ATOM 1316 CD ARG A 92 33.377 -1.219 10.381 1.00 8.98 C ATOM 1317 NE ARG A 92 33.248 -1.833 11.697 1.00 10.14 N ATOM 1318 CZ ARG A 92 32.497 -1.330 12.675 1.00 10.93 C ATOM 1319 NH1 ARG A 92 31.865 -0.178 12.509 1.00 10.74 N ATOM 1320 NH2 ARG A 92 32.387 -1.971 13.825 1.00 11.98 N ATOM 0 H ARG A 92 38.243 -1.024 10.671 1.00 8.25 H new ATOM 0 HA ARG A 92 37.017 -2.249 8.499 1.00 7.79 H new ATOM 0 HB2 ARG A 92 36.161 -2.320 10.811 1.00 8.69 H new ATOM 0 HB3 ARG A 92 35.802 -0.606 10.754 1.00 8.69 H new ATOM 0 HG2 ARG A 92 34.448 -1.427 8.544 1.00 8.30 H new ATOM 0 HG3 ARG A 92 34.367 -2.894 9.499 1.00 8.30 H new ATOM 0 HD2 ARG A 92 33.549 -0.149 10.500 1.00 8.98 H new ATOM 0 HD3 ARG A 92 32.438 -1.333 9.839 1.00 8.98 H new ATOM 0 HE ARG A 92 33.761 -2.695 11.879 1.00 10.14 H new ATOM 0 HH11 ARG A 92 31.952 0.329 11.628 1.00 10.74 H new ATOM 0 HH12 ARG A 92 31.291 0.202 13.262 1.00 10.74 H new ATOM 0 HH21 ARG A 92 32.878 -2.854 13.966 1.00 11.98 H new ATOM 0 HH22 ARG A 92 31.811 -1.583 14.572 1.00 11.98 H new ATOM 1334 N ASN A 93 36.501 1.019 8.685 1.00 7.66 N ATOM 1335 CA ASN A 93 36.122 2.208 7.923 1.00 7.40 C ATOM 1336 C ASN A 93 37.012 2.379 6.696 1.00 6.66 C ATOM 1337 O ASN A 93 36.544 2.740 5.617 1.00 6.20 O ATOM 1338 CB ASN A 93 36.213 3.445 8.806 1.00 8.50 C ATOM 1339 CG ASN A 93 35.786 4.714 8.083 1.00 8.62 C ATOM 1340 OD1 ASN A 93 34.904 4.696 7.224 1.00 8.59 O ATOM 1341 ND2 ASN A 93 36.416 5.823 8.425 1.00 9.02 N ATOM 0 H ASN A 93 36.772 1.208 9.650 1.00 7.66 H new ATOM 0 HA ASN A 93 35.094 2.081 7.585 1.00 7.40 H new ATOM 0 HB2 ASN A 93 35.586 3.305 9.687 1.00 8.50 H new ATOM 0 HB3 ASN A 93 37.238 3.560 9.159 1.00 8.50 H new ATOM 0 HD21 ASN A 93 36.177 6.705 7.973 1.00 9.02 H new ATOM 0 HD22 ASN A 93 37.141 5.797 9.142 1.00 9.02 H new ATOM 1348 N GLN A 94 38.297 2.097 6.866 1.00 6.68 N ATOM 1349 CA GLN A 94 39.241 2.151 5.763 1.00 6.08 C ATOM 1350 C GLN A 94 38.874 1.105 4.720 1.00 5.11 C ATOM 1351 O GLN A 94 38.988 1.333 3.515 1.00 4.70 O ATOM 1352 CB GLN A 94 40.665 1.943 6.279 1.00 6.39 C ATOM 1353 CG GLN A 94 41.659 1.537 5.206 1.00 5.72 C ATOM 1354 CD GLN A 94 43.047 2.100 5.452 1.00 6.13 C ATOM 1355 OE1 GLN A 94 43.359 3.206 5.013 1.00 6.28 O ATOM 1356 NE2 GLN A 94 43.894 1.348 6.138 1.00 6.56 N ATOM 0 H GLN A 94 38.708 1.828 7.760 1.00 6.68 H new ATOM 0 HA GLN A 94 39.195 3.133 5.293 1.00 6.08 H new ATOM 0 HB2 GLN A 94 41.009 2.865 6.748 1.00 6.39 H new ATOM 0 HB3 GLN A 94 40.651 1.177 7.055 1.00 6.39 H new ATOM 0 HG2 GLN A 94 41.715 0.449 5.161 1.00 5.72 H new ATOM 0 HG3 GLN A 94 41.299 1.878 4.235 1.00 5.72 H new ATOM 0 HE21 GLN A 94 43.599 0.436 6.486 1.00 6.56 H new ATOM 0 HE22 GLN A 94 44.841 1.681 6.318 1.00 6.56 H new ATOM 1365 N ALA A 95 38.415 -0.036 5.205 1.00 5.10 N ATOM 1366 CA ALA A 95 37.936 -1.104 4.352 1.00 4.58 C ATOM 1367 C ALA A 95 36.688 -0.669 3.593 1.00 4.24 C ATOM 1368 O ALA A 95 36.518 -1.002 2.420 1.00 3.93 O ATOM 1369 CB ALA A 95 37.660 -2.325 5.202 1.00 5.22 C ATOM 0 H ALA A 95 38.365 -0.246 6.202 1.00 5.10 H new ATOM 0 HA ALA A 95 38.697 -1.349 3.611 1.00 4.58 H new ATOM 0 HB1 ALA A 95 37.299 -3.135 4.569 1.00 5.22 H new ATOM 0 HB2 ALA A 95 38.578 -2.636 5.701 1.00 5.22 H new ATOM 0 HB3 ALA A 95 36.904 -2.084 5.950 1.00 5.22 H new ATOM 1375 N ILE A 96 35.824 0.086 4.271 1.00 4.61 N ATOM 1376 CA ILE A 96 34.623 0.620 3.649 1.00 4.48 C ATOM 1377 C ILE A 96 34.982 1.516 2.469 1.00 4.45 C ATOM 1378 O ILE A 96 34.488 1.325 1.360 1.00 4.33 O ATOM 1379 CB ILE A 96 33.751 1.416 4.652 1.00 5.19 C ATOM 1380 CG1 ILE A 96 32.866 0.467 5.451 1.00 5.44 C ATOM 1381 CG2 ILE A 96 32.900 2.452 3.936 1.00 5.34 C ATOM 1382 CD1 ILE A 96 33.112 0.530 6.935 1.00 6.39 C ATOM 0 H ILE A 96 35.938 0.339 5.252 1.00 4.61 H new ATOM 0 HA ILE A 96 34.043 -0.234 3.299 1.00 4.48 H new ATOM 0 HB ILE A 96 34.417 1.941 5.337 1.00 5.19 H new ATOM 0 HG12 ILE A 96 31.820 0.703 5.253 1.00 5.44 H new ATOM 0 HG13 ILE A 96 33.034 -0.553 5.105 1.00 5.44 H new ATOM 0 HG21 ILE A 96 32.299 2.995 4.665 1.00 5.34 H new ATOM 0 HG22 ILE A 96 33.547 3.151 3.406 1.00 5.34 H new ATOM 0 HG23 ILE A 96 32.243 1.954 3.223 1.00 5.34 H new ATOM 0 HD11 ILE A 96 32.449 -0.170 7.444 1.00 6.39 H new ATOM 0 HD12 ILE A 96 34.149 0.265 7.144 1.00 6.39 H new ATOM 0 HD13 ILE A 96 32.916 1.541 7.294 1.00 6.39 H new ATOM 1394 N GLN A 97 35.856 2.479 2.722 1.00 4.95 N ATOM 1395 CA GLN A 97 36.313 3.400 1.689 1.00 5.42 C ATOM 1396 C GLN A 97 36.878 2.644 0.504 1.00 5.09 C ATOM 1397 O GLN A 97 36.568 2.940 -0.653 1.00 5.57 O ATOM 1398 CB GLN A 97 37.381 4.324 2.248 1.00 6.13 C ATOM 1399 CG GLN A 97 37.951 5.283 1.220 1.00 6.88 C ATOM 1400 CD GLN A 97 38.890 6.303 1.832 1.00 7.78 C ATOM 1401 OE1 GLN A 97 39.566 6.025 2.820 1.00 8.13 O ATOM 1402 NE2 GLN A 97 38.933 7.495 1.258 1.00 8.36 N ATOM 0 H GLN A 97 36.266 2.644 3.641 1.00 4.95 H new ATOM 0 HA GLN A 97 35.456 3.987 1.358 1.00 5.42 H new ATOM 0 HB2 GLN A 97 36.958 4.898 3.073 1.00 6.13 H new ATOM 0 HB3 GLN A 97 38.191 3.722 2.660 1.00 6.13 H new ATOM 0 HG2 GLN A 97 38.484 4.716 0.456 1.00 6.88 H new ATOM 0 HG3 GLN A 97 37.133 5.802 0.720 1.00 6.88 H new ATOM 0 HE21 GLN A 97 38.357 7.688 0.439 1.00 8.36 H new ATOM 0 HE22 GLN A 97 39.543 8.221 1.635 1.00 8.36 H new ATOM 1411 N ALA A 98 37.707 1.663 0.806 1.00 4.57 N ATOM 1412 CA ALA A 98 38.330 0.850 -0.214 1.00 4.55 C ATOM 1413 C ALA A 98 37.277 0.135 -1.054 1.00 4.70 C ATOM 1414 O ALA A 98 37.260 0.267 -2.273 1.00 5.41 O ATOM 1415 CB ALA A 98 39.276 -0.146 0.427 1.00 4.17 C ATOM 0 H ALA A 98 37.965 1.410 1.760 1.00 4.57 H new ATOM 0 HA ALA A 98 38.902 1.498 -0.878 1.00 4.55 H new ATOM 0 HB1 ALA A 98 39.742 -0.755 -0.347 1.00 4.17 H new ATOM 0 HB2 ALA A 98 40.047 0.389 0.981 1.00 4.17 H new ATOM 0 HB3 ALA A 98 38.720 -0.789 1.109 1.00 4.17 H new ATOM 1421 N LEU A 99 36.376 -0.588 -0.394 1.00 4.31 N ATOM 1422 CA LEU A 99 35.334 -1.325 -1.095 1.00 4.67 C ATOM 1423 C LEU A 99 34.432 -0.389 -1.889 1.00 5.10 C ATOM 1424 O LEU A 99 33.895 -0.769 -2.920 1.00 5.77 O ATOM 1425 CB LEU A 99 34.487 -2.125 -0.115 1.00 4.44 C ATOM 1426 CG LEU A 99 35.219 -3.218 0.647 1.00 4.61 C ATOM 1427 CD1 LEU A 99 34.358 -3.729 1.779 1.00 4.82 C ATOM 1428 CD2 LEU A 99 35.578 -4.351 -0.286 1.00 5.40 C ATOM 0 H LEU A 99 36.348 -0.678 0.622 1.00 4.31 H new ATOM 0 HA LEU A 99 35.830 -2.006 -1.786 1.00 4.67 H new ATOM 0 HB2 LEU A 99 34.049 -1.435 0.606 1.00 4.44 H new ATOM 0 HB3 LEU A 99 33.662 -2.579 -0.663 1.00 4.44 H new ATOM 0 HG LEU A 99 36.136 -2.802 1.064 1.00 4.61 H new ATOM 0 HD11 LEU A 99 34.892 -4.511 2.318 1.00 4.82 H new ATOM 0 HD12 LEU A 99 34.130 -2.910 2.461 1.00 4.82 H new ATOM 0 HD13 LEU A 99 33.430 -4.135 1.376 1.00 4.82 H new ATOM 0 HD21 LEU A 99 36.102 -5.128 0.270 1.00 5.40 H new ATOM 0 HD22 LEU A 99 34.669 -4.766 -0.721 1.00 5.40 H new ATOM 0 HD23 LEU A 99 36.223 -3.977 -1.081 1.00 5.40 H new ATOM 1440 N ARG A 100 34.247 0.827 -1.392 1.00 5.01 N ATOM 1441 CA ARG A 100 33.481 1.832 -2.119 1.00 5.73 C ATOM 1442 C ARG A 100 34.068 2.031 -3.502 1.00 6.63 C ATOM 1443 O ARG A 100 33.367 1.964 -4.512 1.00 7.33 O ATOM 1444 CB ARG A 100 33.491 3.158 -1.366 1.00 5.96 C ATOM 1445 CG ARG A 100 32.540 3.193 -0.194 1.00 5.58 C ATOM 1446 CD ARG A 100 32.757 4.431 0.646 1.00 6.19 C ATOM 1447 NE ARG A 100 31.617 4.690 1.525 1.00 6.32 N ATOM 1448 CZ ARG A 100 31.613 5.576 2.521 1.00 7.08 C ATOM 1449 NH1 ARG A 100 32.704 6.283 2.790 1.00 7.71 N ATOM 1450 NH2 ARG A 100 30.514 5.757 3.246 1.00 7.36 N ATOM 0 H ARG A 100 34.614 1.141 -0.494 1.00 5.01 H new ATOM 0 HA ARG A 100 32.452 1.483 -2.208 1.00 5.73 H new ATOM 0 HB2 ARG A 100 34.502 3.356 -1.009 1.00 5.96 H new ATOM 0 HB3 ARG A 100 33.233 3.961 -2.057 1.00 5.96 H new ATOM 0 HG2 ARG A 100 31.512 3.170 -0.555 1.00 5.58 H new ATOM 0 HG3 ARG A 100 32.682 2.304 0.420 1.00 5.58 H new ATOM 0 HD2 ARG A 100 33.660 4.312 1.245 1.00 6.19 H new ATOM 0 HD3 ARG A 100 32.918 5.290 -0.005 1.00 6.19 H new ATOM 0 HE ARG A 100 30.764 4.154 1.364 1.00 6.32 H new ATOM 0 HH11 ARG A 100 33.549 6.149 2.234 1.00 7.71 H new ATOM 0 HH12 ARG A 100 32.698 6.960 3.553 1.00 7.71 H new ATOM 0 HH21 ARG A 100 29.673 5.218 3.040 1.00 7.36 H new ATOM 0 HH22 ARG A 100 30.512 6.435 4.008 1.00 7.36 H new ATOM 1464 N ALA A 101 35.369 2.238 -3.524 1.00 6.70 N ATOM 1465 CA ALA A 101 36.101 2.459 -4.755 1.00 7.62 C ATOM 1466 C ALA A 101 36.184 1.184 -5.596 1.00 7.91 C ATOM 1467 O ALA A 101 36.052 1.226 -6.820 1.00 8.88 O ATOM 1468 CB ALA A 101 37.489 2.961 -4.412 1.00 7.61 C ATOM 0 H ALA A 101 35.950 2.258 -2.686 1.00 6.70 H new ATOM 0 HA ALA A 101 35.573 3.202 -5.352 1.00 7.62 H new ATOM 0 HB1 ALA A 101 38.051 3.132 -5.330 1.00 7.61 H new ATOM 0 HB2 ALA A 101 37.411 3.895 -3.855 1.00 7.61 H new ATOM 0 HB3 ALA A 101 38.005 2.218 -3.803 1.00 7.61 H new ATOM 1474 N THR A 102 36.397 0.051 -4.937 1.00 7.24 N ATOM 1475 CA THR A 102 36.601 -1.218 -5.621 1.00 7.76 C ATOM 1476 C THR A 102 35.289 -1.894 -6.012 1.00 8.12 C ATOM 1477 O THR A 102 35.290 -2.916 -6.694 1.00 8.79 O ATOM 1478 CB THR A 102 37.414 -2.159 -4.729 1.00 7.19 C ATOM 1479 OG1 THR A 102 36.621 -2.602 -3.619 1.00 6.44 O ATOM 1480 CG2 THR A 102 38.627 -1.415 -4.214 1.00 6.79 C ATOM 0 H THR A 102 36.433 -0.013 -3.920 1.00 7.24 H new ATOM 0 HA THR A 102 37.142 -1.003 -6.542 1.00 7.76 H new ATOM 0 HB THR A 102 37.722 -3.029 -5.309 1.00 7.19 H new ATOM 0 HG1 THR A 102 36.929 -3.486 -3.329 1.00 6.44 H new ATOM 0 HG21 THR A 102 39.215 -2.075 -3.576 1.00 6.79 H new ATOM 0 HG22 THR A 102 39.236 -1.086 -5.056 1.00 6.79 H new ATOM 0 HG23 THR A 102 38.304 -0.547 -3.638 1.00 6.79 H new ATOM 1488 N ASN A 103 34.180 -1.298 -5.574 1.00 7.78 N ATOM 1489 CA ASN A 103 32.844 -1.860 -5.766 1.00 8.03 C ATOM 1490 C ASN A 103 32.720 -3.168 -5.000 1.00 7.69 C ATOM 1491 O ASN A 103 32.614 -4.238 -5.593 1.00 8.43 O ATOM 1492 CB ASN A 103 32.540 -2.087 -7.246 1.00 9.26 C ATOM 1493 CG ASN A 103 31.066 -2.356 -7.505 1.00 9.66 C ATOM 1494 OD1 ASN A 103 30.285 -1.435 -7.744 1.00 10.09 O ATOM 1495 ND2 ASN A 103 30.676 -3.619 -7.459 1.00 9.74 N ATOM 0 H ASN A 103 34.184 -0.409 -5.074 1.00 7.78 H new ATOM 0 HA ASN A 103 32.117 -1.144 -5.383 1.00 8.03 H new ATOM 0 HB2 ASN A 103 32.851 -1.211 -7.816 1.00 9.26 H new ATOM 0 HB3 ASN A 103 33.129 -2.929 -7.609 1.00 9.26 H new ATOM 0 HD21 ASN A 103 29.698 -3.857 -7.625 1.00 9.74 H new ATOM 0 HD22 ASN A 103 31.353 -4.355 -7.258 1.00 9.74 H new ATOM 1502 N ASN A 104 32.782 -3.063 -3.672 1.00 6.74 N ATOM 1503 CA ASN A 104 32.705 -4.205 -2.747 1.00 6.57 C ATOM 1504 C ASN A 104 33.651 -5.344 -3.144 1.00 7.31 C ATOM 1505 O ASN A 104 33.446 -6.493 -2.759 1.00 7.80 O ATOM 1506 CB ASN A 104 31.259 -4.731 -2.570 1.00 6.81 C ATOM 1507 CG ASN A 104 30.618 -5.278 -3.840 1.00 7.28 C ATOM 1508 OD1 ASN A 104 30.826 -6.435 -4.209 1.00 7.71 O ATOM 1509 ND2 ASN A 104 29.801 -4.464 -4.494 1.00 7.45 N ATOM 0 H ASN A 104 32.889 -2.167 -3.196 1.00 6.74 H new ATOM 0 HA ASN A 104 33.035 -3.822 -1.781 1.00 6.57 H new ATOM 0 HB2 ASN A 104 31.263 -5.517 -1.814 1.00 6.81 H new ATOM 0 HB3 ASN A 104 30.638 -3.922 -2.185 1.00 6.81 H new ATOM 0 HD21 ASN A 104 29.320 -4.790 -5.333 1.00 7.45 H new ATOM 0 HD22 ASN A 104 29.653 -3.512 -4.159 1.00 7.45 H new ATOM 1516 N ASN A 105 34.694 -5.022 -3.902 1.00 7.54 N ATOM 1517 CA ASN A 105 35.733 -5.998 -4.214 1.00 8.24 C ATOM 1518 C ASN A 105 36.714 -6.089 -3.059 1.00 7.62 C ATOM 1519 O ASN A 105 37.480 -5.160 -2.813 1.00 6.99 O ATOM 1520 CB ASN A 105 36.482 -5.631 -5.499 1.00 8.91 C ATOM 1521 CG ASN A 105 35.756 -6.069 -6.762 1.00 9.80 C ATOM 1522 OD1 ASN A 105 36.388 -6.414 -7.763 1.00 10.00 O ATOM 1523 ND2 ASN A 105 34.432 -6.045 -6.741 1.00 10.49 N ATOM 0 H ASN A 105 34.842 -4.099 -4.310 1.00 7.54 H new ATOM 0 HA ASN A 105 35.251 -6.964 -4.369 1.00 8.24 H new ATOM 0 HB2 ASN A 105 36.631 -4.552 -5.529 1.00 8.91 H new ATOM 0 HB3 ASN A 105 37.471 -6.089 -5.479 1.00 8.91 H new ATOM 0 HD21 ASN A 105 33.904 -6.317 -7.570 1.00 10.49 H new ATOM 0 HD22 ASN A 105 33.941 -5.754 -5.896 1.00 10.49 H new ATOM 1530 N LEU A 106 36.661 -7.216 -2.361 1.00 7.99 N ATOM 1531 CA LEU A 106 37.489 -7.471 -1.184 1.00 7.70 C ATOM 1532 C LEU A 106 38.969 -7.331 -1.509 1.00 7.69 C ATOM 1533 O LEU A 106 39.678 -6.523 -0.913 1.00 6.94 O ATOM 1534 CB LEU A 106 37.195 -8.892 -0.680 1.00 8.64 C ATOM 1535 CG LEU A 106 38.030 -9.395 0.504 1.00 8.79 C ATOM 1536 CD1 LEU A 106 37.205 -10.353 1.342 1.00 9.54 C ATOM 1537 CD2 LEU A 106 39.290 -10.096 0.027 1.00 9.40 C ATOM 0 H LEU A 106 36.037 -7.988 -2.596 1.00 7.99 H new ATOM 0 HA LEU A 106 37.250 -6.737 -0.414 1.00 7.70 H new ATOM 0 HB2 LEU A 106 36.143 -8.941 -0.398 1.00 8.64 H new ATOM 0 HB3 LEU A 106 37.335 -9.583 -1.512 1.00 8.64 H new ATOM 0 HG LEU A 106 38.321 -8.533 1.105 1.00 8.79 H new ATOM 0 HD11 LEU A 106 37.802 -10.708 2.182 1.00 9.54 H new ATOM 0 HD12 LEU A 106 36.320 -9.839 1.717 1.00 9.54 H new ATOM 0 HD13 LEU A 106 36.899 -11.201 0.730 1.00 9.54 H new ATOM 0 HD21 LEU A 106 39.862 -10.442 0.888 1.00 9.40 H new ATOM 0 HD22 LEU A 106 39.019 -10.949 -0.595 1.00 9.40 H new ATOM 0 HD23 LEU A 106 39.895 -9.401 -0.555 1.00 9.40 H new ATOM 1549 N GLU A 107 39.413 -8.151 -2.445 1.00 8.63 N ATOM 1550 CA GLU A 107 40.806 -8.171 -2.884 1.00 8.84 C ATOM 1551 C GLU A 107 41.266 -6.791 -3.320 1.00 8.19 C ATOM 1552 O GLU A 107 42.319 -6.317 -2.905 1.00 7.74 O ATOM 1553 CB GLU A 107 40.970 -9.150 -4.041 1.00 10.06 C ATOM 1554 CG GLU A 107 40.627 -10.580 -3.676 1.00 10.88 C ATOM 1555 CD GLU A 107 41.847 -11.389 -3.292 1.00 11.25 C ATOM 1556 OE1 GLU A 107 42.310 -11.252 -2.141 1.00 11.09 O ATOM 1557 OE2 GLU A 107 42.349 -12.167 -4.129 1.00 11.82 O ATOM 0 H GLU A 107 38.819 -8.826 -2.927 1.00 8.63 H new ATOM 0 HA GLU A 107 41.420 -8.488 -2.041 1.00 8.84 H new ATOM 0 HB2 GLU A 107 40.335 -8.832 -4.868 1.00 10.06 H new ATOM 0 HB3 GLU A 107 42.000 -9.111 -4.396 1.00 10.06 H new ATOM 0 HG2 GLU A 107 39.919 -10.580 -2.847 1.00 10.88 H new ATOM 0 HG3 GLU A 107 40.129 -11.058 -4.520 1.00 10.88 H new ATOM 1564 N ARG A 108 40.462 -6.145 -4.150 1.00 8.29 N ATOM 1565 CA ARG A 108 40.809 -4.834 -4.669 1.00 8.02 C ATOM 1566 C ARG A 108 40.754 -3.787 -3.570 1.00 6.88 C ATOM 1567 O ARG A 108 41.445 -2.781 -3.642 1.00 6.69 O ATOM 1568 CB ARG A 108 39.866 -4.436 -5.786 1.00 8.62 C ATOM 1569 CG ARG A 108 40.351 -3.274 -6.623 1.00 8.99 C ATOM 1570 CD ARG A 108 39.332 -2.946 -7.685 1.00 9.70 C ATOM 1571 NE ARG A 108 39.281 -3.976 -8.725 1.00 10.72 N ATOM 1572 CZ ARG A 108 38.480 -3.934 -9.788 1.00 11.45 C ATOM 1573 NH1 ARG A 108 37.628 -2.931 -9.955 1.00 11.31 N ATOM 1574 NH2 ARG A 108 38.529 -4.898 -10.696 1.00 12.41 N ATOM 0 H ARG A 108 39.567 -6.507 -4.477 1.00 8.29 H new ATOM 0 HA ARG A 108 41.826 -4.890 -5.058 1.00 8.02 H new ATOM 0 HB2 ARG A 108 39.708 -5.296 -6.436 1.00 8.62 H new ATOM 0 HB3 ARG A 108 38.898 -4.180 -5.355 1.00 8.62 H new ATOM 0 HG2 ARG A 108 40.521 -2.404 -5.989 1.00 8.99 H new ATOM 0 HG3 ARG A 108 41.306 -3.522 -7.087 1.00 8.99 H new ATOM 0 HD2 ARG A 108 38.349 -2.844 -7.226 1.00 9.70 H new ATOM 0 HD3 ARG A 108 39.575 -1.984 -8.137 1.00 9.70 H new ATOM 0 HE ARG A 108 39.901 -4.780 -8.629 1.00 10.72 H new ATOM 0 HH11 ARG A 108 37.581 -2.181 -9.265 1.00 11.31 H new ATOM 0 HH12 ARG A 108 37.019 -2.910 -10.773 1.00 11.31 H new ATOM 0 HH21 ARG A 108 39.181 -5.674 -10.581 1.00 12.41 H new ATOM 0 HH22 ARG A 108 37.915 -4.864 -11.510 1.00 12.41 H new ATOM 1588 N ALA A 109 39.905 -4.004 -2.574 1.00 6.30 N ATOM 1589 CA ALA A 109 39.827 -3.089 -1.454 1.00 5.34 C ATOM 1590 C ALA A 109 41.153 -3.072 -0.733 1.00 5.09 C ATOM 1591 O ALA A 109 41.736 -2.022 -0.500 1.00 4.76 O ATOM 1592 CB ALA A 109 38.729 -3.491 -0.490 1.00 5.03 C ATOM 0 H ALA A 109 39.268 -4.799 -2.523 1.00 6.30 H new ATOM 0 HA ALA A 109 39.594 -2.095 -1.836 1.00 5.34 H new ATOM 0 HB1 ALA A 109 38.696 -2.784 0.339 1.00 5.03 H new ATOM 0 HB2 ALA A 109 37.770 -3.487 -1.008 1.00 5.03 H new ATOM 0 HB3 ALA A 109 38.930 -4.491 -0.107 1.00 5.03 H new ATOM 1598 N LEU A 110 41.624 -4.265 -0.407 1.00 5.51 N ATOM 1599 CA LEU A 110 42.930 -4.442 0.201 1.00 5.52 C ATOM 1600 C LEU A 110 43.998 -3.861 -0.708 1.00 5.67 C ATOM 1601 O LEU A 110 44.937 -3.229 -0.247 1.00 5.40 O ATOM 1602 CB LEU A 110 43.180 -5.927 0.419 1.00 6.35 C ATOM 1603 CG LEU A 110 42.120 -6.635 1.256 1.00 6.65 C ATOM 1604 CD1 LEU A 110 42.214 -8.132 1.060 1.00 7.78 C ATOM 1605 CD2 LEU A 110 42.282 -6.278 2.719 1.00 6.44 C ATOM 0 H LEU A 110 41.112 -5.135 -0.556 1.00 5.51 H new ATOM 0 HA LEU A 110 42.965 -3.925 1.160 1.00 5.52 H new ATOM 0 HB2 LEU A 110 43.244 -6.417 -0.552 1.00 6.35 H new ATOM 0 HB3 LEU A 110 44.149 -6.051 0.903 1.00 6.35 H new ATOM 0 HG LEU A 110 41.134 -6.305 0.928 1.00 6.65 H new ATOM 0 HD11 LEU A 110 41.452 -8.626 1.663 1.00 7.78 H new ATOM 0 HD12 LEU A 110 42.057 -8.372 0.008 1.00 7.78 H new ATOM 0 HD13 LEU A 110 43.201 -8.478 1.367 1.00 7.78 H new ATOM 0 HD21 LEU A 110 41.519 -6.790 3.305 1.00 6.44 H new ATOM 0 HD22 LEU A 110 43.270 -6.586 3.061 1.00 6.44 H new ATOM 0 HD23 LEU A 110 42.174 -5.201 2.845 1.00 6.44 H new ATOM 1617 N ASP A 111 43.824 -4.083 -2.004 1.00 6.32 N ATOM 1618 CA ASP A 111 44.698 -3.504 -3.026 1.00 6.81 C ATOM 1619 C ASP A 111 44.731 -1.984 -2.900 1.00 6.41 C ATOM 1620 O ASP A 111 45.797 -1.358 -2.860 1.00 6.49 O ATOM 1621 CB ASP A 111 44.190 -3.855 -4.423 1.00 7.75 C ATOM 1622 CG ASP A 111 45.292 -3.776 -5.456 1.00 8.59 C ATOM 1623 OD1 ASP A 111 46.091 -4.732 -5.556 1.00 9.04 O ATOM 1624 OD2 ASP A 111 45.370 -2.751 -6.173 1.00 8.94 O ATOM 0 H ASP A 111 43.077 -4.667 -2.380 1.00 6.32 H new ATOM 0 HA ASP A 111 45.698 -3.913 -2.878 1.00 6.81 H new ATOM 0 HB2 ASP A 111 43.770 -4.861 -4.415 1.00 7.75 H new ATOM 0 HB3 ASP A 111 43.384 -3.175 -4.698 1.00 7.75 H new ATOM 1629 N TRP A 112 43.537 -1.411 -2.847 1.00 6.15 N ATOM 1630 CA TRP A 112 43.342 0.024 -2.759 1.00 6.12 C ATOM 1631 C TRP A 112 43.935 0.561 -1.464 1.00 5.57 C ATOM 1632 O TRP A 112 44.629 1.577 -1.450 1.00 5.97 O ATOM 1633 CB TRP A 112 41.844 0.336 -2.837 1.00 6.03 C ATOM 1634 CG TRP A 112 41.546 1.771 -3.160 1.00 6.48 C ATOM 1635 CD1 TRP A 112 41.470 2.818 -2.285 1.00 6.79 C ATOM 1636 CD2 TRP A 112 41.286 2.316 -4.461 1.00 7.05 C ATOM 1637 NE1 TRP A 112 41.174 3.977 -2.963 1.00 7.45 N ATOM 1638 CE2 TRP A 112 41.060 3.695 -4.300 1.00 7.60 C ATOM 1639 CE3 TRP A 112 41.226 1.768 -5.744 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 40.780 4.534 -5.378 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 40.947 2.601 -6.811 1.00 8.25 C ATOM 1642 CH2 TRP A 112 40.728 3.970 -6.623 1.00 8.69 C ATOM 0 H TRP A 112 42.665 -1.940 -2.864 1.00 6.15 H new ATOM 0 HA TRP A 112 43.852 0.511 -3.590 1.00 6.12 H new ATOM 0 HB2 TRP A 112 41.388 -0.301 -3.595 1.00 6.03 H new ATOM 0 HB3 TRP A 112 41.378 0.082 -1.885 1.00 6.03 H new ATOM 0 HD1 TRP A 112 41.620 2.746 -1.218 1.00 6.79 H new ATOM 0 HE1 TRP A 112 41.058 4.898 -2.540 1.00 7.45 H new ATOM 0 HE3 TRP A 112 41.395 0.713 -5.900 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 40.610 5.591 -5.235 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 40.897 2.188 -7.808 1.00 8.25 H new ATOM 0 HH2 TRP A 112 40.514 4.594 -7.478 1.00 8.69 H new ATOM 1653 N ILE A 113 43.666 -0.154 -0.389 1.00 4.92 N ATOM 1654 CA ILE A 113 44.169 0.194 0.924 1.00 4.71 C ATOM 1655 C ILE A 113 45.693 0.073 0.984 1.00 4.95 C ATOM 1656 O ILE A 113 46.378 0.960 1.493 1.00 5.25 O ATOM 1657 CB ILE A 113 43.538 -0.712 1.998 1.00 4.41 C ATOM 1658 CG1 ILE A 113 42.021 -0.499 2.046 1.00 4.22 C ATOM 1659 CG2 ILE A 113 44.163 -0.441 3.352 1.00 4.75 C ATOM 1660 CD1 ILE A 113 41.321 -1.293 3.116 1.00 4.30 C ATOM 0 H ILE A 113 43.090 -0.996 -0.403 1.00 4.92 H new ATOM 0 HA ILE A 113 43.896 1.231 1.118 1.00 4.71 H new ATOM 0 HB ILE A 113 43.731 -1.753 1.737 1.00 4.41 H new ATOM 0 HG12 ILE A 113 41.819 0.560 2.204 1.00 4.22 H new ATOM 0 HG13 ILE A 113 41.597 -0.763 1.077 1.00 4.22 H new ATOM 0 HG21 ILE A 113 43.706 -1.089 4.100 1.00 4.75 H new ATOM 0 HG22 ILE A 113 45.234 -0.640 3.305 1.00 4.75 H new ATOM 0 HG23 ILE A 113 43.999 0.601 3.626 1.00 4.75 H new ATOM 0 HD11 ILE A 113 40.252 -1.085 3.082 1.00 4.30 H new ATOM 0 HD12 ILE A 113 41.489 -2.357 2.949 1.00 4.30 H new ATOM 0 HD13 ILE A 113 41.714 -1.013 4.093 1.00 4.30 H new ATOM 1672 N PHE A 114 46.206 -1.025 0.442 1.00 5.07 N ATOM 1673 CA PHE A 114 47.640 -1.307 0.417 1.00 5.37 C ATOM 1674 C PHE A 114 48.398 -0.210 -0.315 1.00 5.85 C ATOM 1675 O PHE A 114 49.576 0.031 -0.063 1.00 6.10 O ATOM 1676 CB PHE A 114 47.883 -2.643 -0.278 1.00 5.75 C ATOM 1677 CG PHE A 114 49.311 -3.104 -0.241 1.00 6.09 C ATOM 1678 CD1 PHE A 114 49.858 -3.610 0.926 1.00 6.17 C ATOM 1679 CD2 PHE A 114 50.105 -3.027 -1.372 1.00 6.53 C ATOM 1680 CE1 PHE A 114 51.172 -4.033 0.964 1.00 6.62 C ATOM 1681 CE2 PHE A 114 51.420 -3.447 -1.341 1.00 6.91 C ATOM 1682 CZ PHE A 114 51.952 -3.957 -0.171 1.00 6.92 C ATOM 0 H PHE A 114 45.637 -1.750 0.005 1.00 5.07 H new ATOM 0 HA PHE A 114 48.001 -1.350 1.444 1.00 5.37 H new ATOM 0 HB2 PHE A 114 47.255 -3.402 0.189 1.00 5.75 H new ATOM 0 HB3 PHE A 114 47.566 -2.562 -1.318 1.00 5.75 H new ATOM 0 HD1 PHE A 114 49.250 -3.675 1.816 1.00 6.17 H new ATOM 0 HD2 PHE A 114 49.691 -2.634 -2.289 1.00 6.53 H new ATOM 0 HE1 PHE A 114 51.588 -4.423 1.881 1.00 6.62 H new ATOM 0 HE2 PHE A 114 52.032 -3.377 -2.228 1.00 6.91 H new ATOM 0 HZ PHE A 114 52.977 -4.295 -0.146 1.00 6.92 H new ATOM 1692 N SER A 115 47.702 0.458 -1.219 1.00 6.19 N ATOM 1693 CA SER A 115 48.282 1.543 -1.986 1.00 7.00 C ATOM 1694 C SER A 115 48.459 2.790 -1.126 1.00 7.20 C ATOM 1695 O SER A 115 48.867 3.843 -1.613 1.00 8.04 O ATOM 1696 CB SER A 115 47.404 1.822 -3.195 1.00 7.59 C ATOM 1697 OG SER A 115 47.366 0.691 -4.057 1.00 8.33 O ATOM 0 H SER A 115 46.725 0.264 -1.440 1.00 6.19 H new ATOM 0 HA SER A 115 49.275 1.252 -2.329 1.00 7.00 H new ATOM 0 HB2 SER A 115 46.394 2.071 -2.868 1.00 7.59 H new ATOM 0 HB3 SER A 115 47.786 2.687 -3.737 1.00 7.59 H new ATOM 0 HG SER A 115 46.827 -0.016 -3.645 1.00 8.33 H new ATOM 1703 N HIS A 116 48.128 2.660 0.151 1.00 6.66 N ATOM 1704 CA HIS A 116 48.500 3.641 1.155 1.00 7.16 C ATOM 1705 C HIS A 116 49.186 2.925 2.311 1.00 6.96 C ATOM 1706 O HIS A 116 48.590 2.730 3.369 1.00 6.85 O ATOM 1707 CB HIS A 116 47.288 4.423 1.670 1.00 7.29 C ATOM 1708 CG HIS A 116 46.642 5.289 0.637 1.00 7.97 C ATOM 1709 ND1 HIS A 116 47.260 6.388 0.080 1.00 8.77 N ATOM 1710 CD2 HIS A 116 45.420 5.218 0.063 1.00 8.20 C ATOM 1711 CE1 HIS A 116 46.449 6.951 -0.790 1.00 9.41 C ATOM 1712 NE2 HIS A 116 45.325 6.263 -0.821 1.00 9.09 N ATOM 0 H HIS A 116 47.595 1.872 0.518 1.00 6.66 H new ATOM 0 HA HIS A 116 49.177 4.362 0.697 1.00 7.16 H new ATOM 0 HB2 HIS A 116 46.549 3.719 2.053 1.00 7.29 H new ATOM 0 HB3 HIS A 116 47.599 5.046 2.509 1.00 7.29 H new ATOM 0 HD1 HIS A 116 48.199 6.714 0.307 1.00 8.77 H new ATOM 0 HD2 HIS A 116 44.660 4.477 0.263 1.00 8.20 H new ATOM 0 HE1 HIS A 116 46.668 7.829 -1.380 1.00 9.41 H new ATOM 1721 N PRO A 117 50.453 2.508 2.086 1.00 7.10 N ATOM 1722 CA PRO A 117 51.230 1.635 2.981 1.00 7.19 C ATOM 1723 C PRO A 117 51.013 1.930 4.453 1.00 7.86 C ATOM 1724 O PRO A 117 50.376 1.153 5.166 1.00 7.83 O ATOM 1725 CB PRO A 117 52.686 1.943 2.587 1.00 7.62 C ATOM 1726 CG PRO A 117 52.597 3.081 1.622 1.00 7.92 C ATOM 1727 CD PRO A 117 51.279 2.888 0.943 1.00 7.39 C ATOM 0 HA PRO A 117 50.939 0.591 2.868 1.00 7.19 H new ATOM 0 HB2 PRO A 117 53.282 2.212 3.459 1.00 7.62 H new ATOM 0 HB3 PRO A 117 53.163 1.076 2.130 1.00 7.62 H new ATOM 0 HG2 PRO A 117 52.643 4.042 2.135 1.00 7.92 H new ATOM 0 HG3 PRO A 117 53.419 3.061 0.907 1.00 7.92 H new ATOM 0 HD2 PRO A 117 50.924 3.797 0.457 1.00 7.39 H new ATOM 0 HD3 PRO A 117 51.314 2.111 0.179 1.00 7.39 H new ATOM 1735 N GLU A 118 51.565 3.044 4.892 1.00 8.68 N ATOM 1736 CA GLU A 118 51.384 3.516 6.245 1.00 9.57 C ATOM 1737 C GLU A 118 51.690 5.002 6.325 1.00 10.42 C ATOM 1738 O GLU A 118 50.958 5.759 6.965 1.00 10.88 O ATOM 1739 CB GLU A 118 52.257 2.724 7.218 1.00 10.14 C ATOM 1740 CG GLU A 118 53.678 2.523 6.738 1.00 10.26 C ATOM 1741 CD GLU A 118 54.467 1.613 7.649 1.00 10.90 C ATOM 1742 OE1 GLU A 118 54.414 0.379 7.454 1.00 11.01 O ATOM 1743 OE2 GLU A 118 55.158 2.124 8.555 1.00 11.42 O ATOM 0 H GLU A 118 52.153 3.647 4.316 1.00 8.68 H new ATOM 0 HA GLU A 118 50.344 3.362 6.532 1.00 9.57 H new ATOM 0 HB2 GLU A 118 52.277 3.241 8.177 1.00 10.14 H new ATOM 0 HB3 GLU A 118 51.800 1.749 7.391 1.00 10.14 H new ATOM 0 HG2 GLU A 118 53.663 2.103 5.732 1.00 10.26 H new ATOM 0 HG3 GLU A 118 54.177 3.490 6.673 1.00 10.26 H new ATOM 1750 N PHE A 119 52.757 5.429 5.658 1.00 10.70 N ATOM 1751 CA PHE A 119 53.127 6.835 5.677 1.00 11.61 C ATOM 1752 C PHE A 119 53.512 7.338 4.288 1.00 11.51 C ATOM 1753 O PHE A 119 54.076 8.418 4.140 1.00 12.37 O ATOM 1754 CB PHE A 119 54.259 7.068 6.688 1.00 12.63 C ATOM 1755 CG PHE A 119 54.513 8.517 7.022 1.00 13.60 C ATOM 1756 CD1 PHE A 119 53.550 9.268 7.680 1.00 13.98 C ATOM 1757 CD2 PHE A 119 55.714 9.120 6.686 1.00 14.22 C ATOM 1758 CE1 PHE A 119 53.781 10.593 7.996 1.00 14.97 C ATOM 1759 CE2 PHE A 119 55.951 10.446 6.998 1.00 15.19 C ATOM 1760 CZ PHE A 119 54.983 11.184 7.654 1.00 15.58 C ATOM 0 H PHE A 119 53.371 4.830 5.106 1.00 10.70 H new ATOM 0 HA PHE A 119 52.256 7.411 5.990 1.00 11.61 H new ATOM 0 HB2 PHE A 119 54.023 6.533 7.608 1.00 12.63 H new ATOM 0 HB3 PHE A 119 55.177 6.633 6.293 1.00 12.63 H new ATOM 0 HD1 PHE A 119 52.609 8.812 7.948 1.00 13.98 H new ATOM 0 HD2 PHE A 119 56.474 8.548 6.175 1.00 14.22 H new ATOM 0 HE1 PHE A 119 53.023 11.166 8.510 1.00 14.97 H new ATOM 0 HE2 PHE A 119 56.891 10.905 6.730 1.00 15.19 H new ATOM 0 HZ PHE A 119 55.166 12.220 7.899 1.00 15.58 H new ATOM 1770 N GLU A 120 53.173 6.540 3.278 1.00 10.55 N ATOM 1771 CA GLU A 120 53.405 6.887 1.873 1.00 10.48 C ATOM 1772 C GLU A 120 54.894 7.086 1.579 1.00 10.99 C ATOM 1773 O GLU A 120 55.461 8.145 1.843 1.00 11.40 O ATOM 1774 CB GLU A 120 52.619 8.141 1.507 1.00 11.07 C ATOM 1775 CG GLU A 120 51.125 7.974 1.712 1.00 10.59 C ATOM 1776 CD GLU A 120 50.468 7.122 0.648 1.00 10.31 C ATOM 1777 OE1 GLU A 120 50.753 5.909 0.591 1.00 10.33 O ATOM 1778 OE2 GLU A 120 49.681 7.661 -0.150 1.00 10.23 O ATOM 0 H GLU A 120 52.728 5.631 3.409 1.00 10.55 H new ATOM 0 HA GLU A 120 53.057 6.055 1.261 1.00 10.48 H new ATOM 0 HB2 GLU A 120 52.974 8.977 2.110 1.00 11.07 H new ATOM 0 HB3 GLU A 120 52.813 8.396 0.465 1.00 11.07 H new ATOM 0 HG2 GLU A 120 50.947 7.525 2.689 1.00 10.59 H new ATOM 0 HG3 GLU A 120 50.654 8.957 1.723 1.00 10.59 H new ATOM 1785 N GLU A 121 55.526 6.077 1.007 1.00 11.08 N ATOM 1786 CA GLU A 121 56.968 6.107 0.814 1.00 11.65 C ATOM 1787 C GLU A 121 57.350 6.769 -0.507 1.00 12.26 C ATOM 1788 O GLU A 121 56.562 6.804 -1.455 1.00 12.21 O ATOM 1789 CB GLU A 121 57.563 4.693 0.870 1.00 11.42 C ATOM 1790 CG GLU A 121 57.187 3.806 -0.313 1.00 11.24 C ATOM 1791 CD GLU A 121 55.756 3.317 -0.266 1.00 10.81 C ATOM 1792 OE1 GLU A 121 54.860 4.071 -0.702 1.00 10.63 O ATOM 1793 OE2 GLU A 121 55.520 2.186 0.205 1.00 10.85 O ATOM 0 H GLU A 121 55.068 5.230 0.669 1.00 11.08 H new ATOM 0 HA GLU A 121 57.381 6.701 1.629 1.00 11.65 H new ATOM 0 HB2 GLU A 121 58.649 4.770 0.920 1.00 11.42 H new ATOM 0 HB3 GLU A 121 57.235 4.210 1.790 1.00 11.42 H new ATOM 0 HG2 GLU A 121 57.343 4.361 -1.238 1.00 11.24 H new ATOM 0 HG3 GLU A 121 57.856 2.946 -0.340 1.00 11.24 H new ATOM 1800 N ASP A 122 58.563 7.299 -0.547 1.00 12.98 N ATOM 1801 CA ASP A 122 59.140 7.839 -1.769 1.00 13.73 C ATOM 1802 C ASP A 122 60.641 7.623 -1.734 1.00 14.09 C ATOM 1803 O ASP A 122 61.309 8.006 -0.773 1.00 14.14 O ATOM 1804 CB ASP A 122 58.824 9.329 -1.920 1.00 14.22 C ATOM 1805 CG ASP A 122 59.413 9.916 -3.190 1.00 15.11 C ATOM 1806 OD1 ASP A 122 59.066 9.439 -4.291 1.00 15.49 O ATOM 1807 OD2 ASP A 122 60.240 10.851 -3.092 1.00 15.51 O ATOM 0 H ASP A 122 59.175 7.367 0.266 1.00 12.98 H new ATOM 0 HA ASP A 122 58.707 7.323 -2.626 1.00 13.73 H new ATOM 0 HB2 ASP A 122 57.743 9.471 -1.924 1.00 14.22 H new ATOM 0 HB3 ASP A 122 59.213 9.870 -1.058 1.00 14.22 H new ATOM 1812 N SER A 123 61.161 6.982 -2.768 1.00 14.48 N ATOM 1813 CA SER A 123 62.559 6.601 -2.807 1.00 15.03 C ATOM 1814 C SER A 123 63.421 7.766 -3.274 1.00 15.58 C ATOM 1815 O SER A 123 64.295 8.225 -2.536 1.00 16.06 O ATOM 1816 CB SER A 123 62.748 5.389 -3.724 1.00 15.21 C ATOM 1817 OG SER A 123 64.061 4.865 -3.625 1.00 15.39 O ATOM 0 H SER A 123 60.629 6.714 -3.596 1.00 14.48 H new ATOM 0 HA SER A 123 62.874 6.330 -1.799 1.00 15.03 H new ATOM 0 HB2 SER A 123 62.026 4.616 -3.462 1.00 15.21 H new ATOM 0 HB3 SER A 123 62.546 5.677 -4.756 1.00 15.21 H new ATOM 0 HG SER A 123 64.150 4.092 -4.220 1.00 15.39 H new ATOM 1823 N ASP A 124 63.150 8.257 -4.487 1.00 15.63 N ATOM 1824 CA ASP A 124 63.937 9.334 -5.093 1.00 16.25 C ATOM 1825 C ASP A 124 65.420 8.964 -5.113 1.00 16.92 C ATOM 1826 O ASP A 124 66.214 9.442 -4.299 1.00 17.40 O ATOM 1827 CB ASP A 124 63.712 10.658 -4.354 1.00 16.32 C ATOM 1828 CG ASP A 124 64.417 11.828 -5.018 1.00 16.45 C ATOM 1829 OD1 ASP A 124 63.923 12.309 -6.058 1.00 16.56 O ATOM 1830 OD2 ASP A 124 65.459 12.279 -4.501 1.00 16.55 O ATOM 0 H ASP A 124 62.385 7.922 -5.072 1.00 15.63 H new ATOM 0 HA ASP A 124 63.603 9.466 -6.122 1.00 16.25 H new ATOM 0 HB2 ASP A 124 62.643 10.864 -4.304 1.00 16.32 H new ATOM 0 HB3 ASP A 124 64.066 10.561 -3.328 1.00 16.32 H new ATOM 1835 N PHE A 125 65.782 8.091 -6.037 1.00 17.07 N ATOM 1836 CA PHE A 125 67.138 7.576 -6.107 1.00 17.83 C ATOM 1837 C PHE A 125 67.902 8.215 -7.261 1.00 18.42 C ATOM 1838 O PHE A 125 67.453 8.193 -8.409 1.00 18.77 O ATOM 1839 CB PHE A 125 67.115 6.051 -6.261 1.00 17.95 C ATOM 1840 CG PHE A 125 68.479 5.423 -6.288 1.00 18.29 C ATOM 1841 CD1 PHE A 125 69.184 5.213 -5.112 1.00 18.50 C ATOM 1842 CD2 PHE A 125 69.057 5.040 -7.486 1.00 18.51 C ATOM 1843 CE1 PHE A 125 70.434 4.631 -5.131 1.00 18.96 C ATOM 1844 CE2 PHE A 125 70.310 4.460 -7.512 1.00 18.94 C ATOM 1845 CZ PHE A 125 71.007 4.269 -6.344 1.00 19.19 C ATOM 0 H PHE A 125 65.153 7.723 -6.751 1.00 17.07 H new ATOM 0 HA PHE A 125 67.651 7.829 -5.179 1.00 17.83 H new ATOM 0 HB2 PHE A 125 66.544 5.621 -5.438 1.00 17.95 H new ATOM 0 HB3 PHE A 125 66.590 5.796 -7.181 1.00 17.95 H new ATOM 0 HD1 PHE A 125 68.748 5.509 -4.169 1.00 18.50 H new ATOM 0 HD2 PHE A 125 68.522 5.197 -8.411 1.00 18.51 H new ATOM 0 HE1 PHE A 125 70.965 4.457 -4.207 1.00 18.96 H new ATOM 0 HE2 PHE A 125 70.743 4.156 -8.453 1.00 18.94 H new ATOM 0 HZ PHE A 125 71.997 3.839 -6.368 1.00 19.19 H new ATOM 1855 N VAL A 126 69.052 8.786 -6.945 1.00 18.64 N ATOM 1856 CA VAL A 126 69.906 9.386 -7.955 1.00 19.32 C ATOM 1857 C VAL A 126 71.189 8.578 -8.096 1.00 19.84 C ATOM 1858 O VAL A 126 71.316 7.826 -9.085 1.00 20.33 O ATOM 1859 CB VAL A 126 70.249 10.857 -7.623 1.00 19.36 C ATOM 1860 CG1 VAL A 126 71.094 11.473 -8.727 1.00 19.82 C ATOM 1861 CG2 VAL A 126 68.981 11.666 -7.412 1.00 19.37 C ATOM 1862 OXT VAL A 126 72.056 8.678 -7.208 1.00 19.85 O ATOM 0 H VAL A 126 69.416 8.847 -5.994 1.00 18.64 H new ATOM 0 HA VAL A 126 69.357 9.377 -8.897 1.00 19.32 H new ATOM 0 HB VAL A 126 70.827 10.872 -6.699 1.00 19.36 H new ATOM 0 HG11 VAL A 126 71.324 12.508 -8.474 1.00 19.82 H new ATOM 0 HG12 VAL A 126 72.021 10.910 -8.832 1.00 19.82 H new ATOM 0 HG13 VAL A 126 70.543 11.443 -9.667 1.00 19.82 H new ATOM 0 HG21 VAL A 126 69.243 12.698 -7.179 1.00 19.37 H new ATOM 0 HG22 VAL A 126 68.378 11.640 -8.319 1.00 19.37 H new ATOM 0 HG23 VAL A 126 68.412 11.241 -6.585 1.00 19.37 H new TER 1872 VAL A 126