USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl -175:sc=-0.00736 (180deg=0) USER MOD Set 1.2: A 94 ASN : amide:sc= -0.193 K(o=-0.2,f=-3.2) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 175:sc= -0.847 (180deg=-1.28) USER MOD Set 2.2: A 51 TYR OH : rot 130:sc= -1.44 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0031 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0373 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.692 F(o=-4.4!,f=-0.69) USER MOD Single : A 32 ASN :FLIP amide:sc= 0.11 F(o=-0.62,f=0.11) USER MOD Single : A 44 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -23:sc= -0.602 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.558! C(o=-9.3!,f=-0.56!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.22! C(o=-1.2!,f=-1.1!) USER MOD Single : A 63 MET CE :methyl -174:sc= 0 (180deg=-0.0685) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 87:sc= 0.165 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= -2.42! (180deg=-2.83!) USER MOD Single : A 92 LYS NZ :NH3+ -118:sc= -0.926 (180deg=-2.72!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.86! USER MOD Single : A 109 LYS NZ :NH3+ 128:sc= -1.01 (180deg=-2.7!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 136:sc= -0.54 (180deg=-2.62!) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.512 -0.410 8.778 1.00 0.00 N ATOM 2 CA ALA A 2 -12.669 0.658 9.387 1.00 0.00 C ATOM 3 C ALA A 2 -13.145 2.025 8.899 1.00 0.00 C ATOM 4 O ALA A 2 -14.074 2.128 8.124 1.00 0.00 O ATOM 5 CB ALA A 2 -11.212 0.460 8.968 1.00 0.00 C ATOM 0 HA ALA A 2 -12.751 0.605 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.596 1.241 9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.865 -0.515 9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.135 0.513 7.882 1.00 0.00 H new ATOM 11 N ASP A 3 -12.506 3.075 9.338 1.00 0.00 N ATOM 12 CA ASP A 3 -12.912 4.433 8.885 1.00 0.00 C ATOM 13 C ASP A 3 -13.070 4.408 7.366 1.00 0.00 C ATOM 14 O ASP A 3 -12.114 4.234 6.647 1.00 0.00 O ATOM 15 CB ASP A 3 -11.826 5.443 9.269 1.00 0.00 C ATOM 16 CG ASP A 3 -12.389 6.436 10.286 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.215 7.248 9.899 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.984 6.370 11.435 1.00 0.00 O ATOM 0 H ASP A 3 -11.722 3.050 9.990 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.852 4.722 9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.965 4.924 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.477 5.973 8.382 1.00 0.00 H new ATOM 23 N LYS A 4 -14.264 4.566 6.868 1.00 0.00 N ATOM 24 CA LYS A 4 -14.458 4.534 5.391 1.00 0.00 C ATOM 25 C LYS A 4 -13.910 5.819 4.774 1.00 0.00 C ATOM 26 O LYS A 4 -14.450 6.350 3.825 1.00 0.00 O ATOM 27 CB LYS A 4 -15.948 4.378 5.066 1.00 0.00 C ATOM 28 CG LYS A 4 -16.744 5.567 5.615 1.00 0.00 C ATOM 29 CD LYS A 4 -18.213 5.427 5.204 1.00 0.00 C ATOM 30 CE LYS A 4 -18.652 6.668 4.421 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.125 6.624 4.205 1.00 0.00 N ATOM 0 H LYS A 4 -15.111 4.715 7.416 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.919 3.684 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.086 4.308 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.325 3.450 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.661 5.605 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.335 6.502 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.346 4.534 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.838 5.304 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.381 7.571 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.134 6.708 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.423 7.467 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.371 5.769 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.610 6.605 5.125 1.00 0.00 H new ATOM 45 N GLU A 5 -12.834 6.317 5.309 1.00 0.00 N ATOM 46 CA GLU A 5 -12.226 7.558 4.770 1.00 0.00 C ATOM 47 C GLU A 5 -10.733 7.530 5.083 1.00 0.00 C ATOM 48 O GLU A 5 -10.108 8.553 5.281 1.00 0.00 O ATOM 49 CB GLU A 5 -12.867 8.777 5.438 1.00 0.00 C ATOM 50 CG GLU A 5 -12.654 10.012 4.563 1.00 0.00 C ATOM 51 CD GLU A 5 -13.226 11.244 5.268 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.412 11.239 5.557 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.470 12.171 5.505 1.00 0.00 O ATOM 0 H GLU A 5 -12.345 5.911 6.107 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.387 7.621 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.933 8.604 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.429 8.937 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.591 10.153 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.140 9.874 3.597 1.00 0.00 H new ATOM 60 N LEU A 6 -10.155 6.357 5.140 1.00 0.00 N ATOM 61 CA LEU A 6 -8.709 6.262 5.454 1.00 0.00 C ATOM 62 C LEU A 6 -7.914 6.742 4.229 1.00 0.00 C ATOM 63 O LEU A 6 -8.279 6.474 3.104 1.00 0.00 O ATOM 64 CB LEU A 6 -8.387 4.801 5.825 1.00 0.00 C ATOM 65 CG LEU A 6 -6.933 4.632 6.287 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.596 5.619 7.393 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.753 3.225 6.846 1.00 0.00 C ATOM 0 H LEU A 6 -10.626 5.466 4.982 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.434 6.892 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.060 4.471 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.570 4.159 4.963 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.279 4.808 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.560 5.479 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.730 6.637 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.255 5.450 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.723 3.094 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.427 3.080 7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.980 2.494 6.071 1.00 0.00 H new ATOM 79 N LYS A 7 -6.863 7.497 4.435 1.00 0.00 N ATOM 80 CA LYS A 7 -6.086 8.042 3.275 1.00 0.00 C ATOM 81 C LYS A 7 -5.107 7.005 2.711 1.00 0.00 C ATOM 82 O LYS A 7 -4.294 6.446 3.429 1.00 0.00 O ATOM 83 CB LYS A 7 -5.294 9.269 3.735 1.00 0.00 C ATOM 84 CG LYS A 7 -6.163 10.524 3.602 1.00 0.00 C ATOM 85 CD LYS A 7 -5.361 11.753 4.042 1.00 0.00 C ATOM 86 CE LYS A 7 -5.491 11.944 5.555 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.227 12.527 6.088 1.00 0.00 N ATOM 0 H LYS A 7 -6.509 7.760 5.355 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.794 8.307 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.977 9.142 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.390 9.376 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.493 10.643 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.060 10.424 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.312 11.630 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.723 12.640 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.331 12.601 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.696 10.988 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.312 12.658 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.435 11.884 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.051 13.446 5.635 1.00 0.00 H new ATOM 101 N PHE A 8 -5.170 6.768 1.418 1.00 0.00 N ATOM 102 CA PHE A 8 -4.247 5.799 0.776 1.00 0.00 C ATOM 103 C PHE A 8 -3.325 6.525 -0.197 1.00 0.00 C ATOM 104 O PHE A 8 -3.656 7.570 -0.715 1.00 0.00 O ATOM 105 CB PHE A 8 -5.046 4.773 -0.027 1.00 0.00 C ATOM 106 CG PHE A 8 -5.913 3.946 0.884 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.058 4.514 1.432 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.579 2.615 1.171 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.877 3.761 2.273 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.402 1.858 2.016 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.553 2.432 2.568 1.00 0.00 C ATOM 0 H PHE A 8 -5.832 7.214 0.783 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.669 5.309 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.666 5.283 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.365 4.124 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.313 5.539 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.691 2.175 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.765 4.205 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.148 0.833 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.189 1.851 3.219 1.00 0.00 H new ATOM 121 N LEU A 9 -2.181 5.956 -0.464 1.00 0.00 N ATOM 122 CA LEU A 9 -1.235 6.576 -1.440 1.00 0.00 C ATOM 123 C LEU A 9 -0.855 5.513 -2.478 1.00 0.00 C ATOM 124 O LEU A 9 -0.153 4.568 -2.177 1.00 0.00 O ATOM 125 CB LEU A 9 0.019 7.072 -0.711 1.00 0.00 C ATOM 126 CG LEU A 9 1.080 7.505 -1.731 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.485 8.532 -2.695 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.271 8.126 -1.002 1.00 0.00 C ATOM 0 H LEU A 9 -1.858 5.083 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.705 7.428 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.235 7.909 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.416 6.282 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 9 1.411 6.631 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.243 8.836 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.361 8.090 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.148 9.404 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.023 8.433 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.938 8.996 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.703 7.393 -0.320 1.00 0.00 H new ATOM 140 N VAL A 10 -1.324 5.653 -3.692 1.00 0.00 N ATOM 141 CA VAL A 10 -1.004 4.642 -4.741 1.00 0.00 C ATOM 142 C VAL A 10 0.173 5.119 -5.600 1.00 0.00 C ATOM 143 O VAL A 10 0.041 6.019 -6.406 1.00 0.00 O ATOM 144 CB VAL A 10 -2.230 4.427 -5.629 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.179 3.430 -4.961 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.960 5.754 -5.837 1.00 0.00 C ATOM 0 H VAL A 10 -1.915 6.425 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.729 3.705 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.906 4.036 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.052 3.278 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.665 2.479 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.496 3.821 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.832 5.594 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.279 6.149 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.289 6.467 -6.317 1.00 0.00 H new ATOM 156 N VAL A 11 1.323 4.515 -5.434 1.00 0.00 N ATOM 157 CA VAL A 11 2.511 4.910 -6.231 1.00 0.00 C ATOM 158 C VAL A 11 2.678 3.944 -7.406 1.00 0.00 C ATOM 159 O VAL A 11 3.197 2.855 -7.252 1.00 0.00 O ATOM 160 CB VAL A 11 3.760 4.849 -5.347 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.977 5.383 -6.107 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.531 5.689 -4.094 1.00 0.00 C ATOM 0 H VAL A 11 1.485 3.757 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 11 2.377 5.925 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 11 3.949 3.812 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.857 5.333 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.143 4.778 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.799 6.418 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.418 5.648 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.336 6.723 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.675 5.297 -3.544 1.00 0.00 H new ATOM 172 N ASP A 12 2.245 4.324 -8.577 1.00 0.00 N ATOM 173 CA ASP A 12 2.385 3.415 -9.749 1.00 0.00 C ATOM 174 C ASP A 12 2.595 4.239 -11.019 1.00 0.00 C ATOM 175 O ASP A 12 2.452 5.445 -11.019 1.00 0.00 O ATOM 176 CB ASP A 12 1.118 2.571 -9.896 1.00 0.00 C ATOM 177 CG ASP A 12 0.582 2.209 -8.510 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.144 3.108 -7.812 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.619 1.037 -8.169 1.00 0.00 O ATOM 0 H ASP A 12 1.802 5.222 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 12 3.244 2.761 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.364 3.123 -10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.336 1.665 -10.461 1.00 0.00 H new ATOM 184 N ASP A 13 2.932 3.590 -12.102 1.00 0.00 N ATOM 185 CA ASP A 13 3.152 4.322 -13.381 1.00 0.00 C ATOM 186 C ASP A 13 2.547 3.514 -14.530 1.00 0.00 C ATOM 187 O ASP A 13 2.968 3.619 -15.666 1.00 0.00 O ATOM 188 CB ASP A 13 4.655 4.496 -13.617 1.00 0.00 C ATOM 189 CG ASP A 13 5.260 5.322 -12.480 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.442 4.770 -11.406 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.533 6.490 -12.701 1.00 0.00 O ATOM 0 H ASP A 13 3.065 2.580 -12.155 1.00 0.00 H new ATOM 0 HA ASP A 13 2.678 5.302 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.140 3.521 -13.670 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.829 4.991 -14.572 1.00 0.00 H new ATOM 196 N PHE A 14 1.561 2.707 -14.244 1.00 0.00 N ATOM 197 CA PHE A 14 0.930 1.892 -15.321 1.00 0.00 C ATOM 198 C PHE A 14 0.121 2.811 -16.246 1.00 0.00 C ATOM 199 O PHE A 14 0.586 3.192 -17.301 1.00 0.00 O ATOM 200 CB PHE A 14 0.021 0.824 -14.684 1.00 0.00 C ATOM 201 CG PHE A 14 0.262 -0.509 -15.355 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.116 -0.699 -16.690 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.864 -1.554 -14.644 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.107 -1.934 -17.312 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.088 -2.788 -15.266 1.00 0.00 C ATOM 206 CZ PHE A 14 0.710 -2.977 -16.600 1.00 0.00 C ATOM 0 H PHE A 14 1.166 2.577 -13.313 1.00 0.00 H new ATOM 0 HA PHE A 14 1.698 1.392 -15.911 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.225 0.748 -13.616 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.025 1.112 -14.789 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.579 0.107 -17.240 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.156 -1.408 -13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.186 -2.081 -18.341 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.552 -3.594 -14.717 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.884 -3.929 -17.080 1.00 0.00 H new ATOM 216 N SER A 15 -1.076 3.169 -15.849 1.00 0.00 N ATOM 217 CA SER A 15 -1.948 4.062 -16.675 1.00 0.00 C ATOM 218 C SER A 15 -3.402 3.772 -16.313 1.00 0.00 C ATOM 219 O SER A 15 -4.286 4.573 -16.541 1.00 0.00 O ATOM 220 CB SER A 15 -1.751 3.787 -18.169 1.00 0.00 C ATOM 221 OG SER A 15 -2.961 4.075 -18.859 1.00 0.00 O ATOM 0 H SER A 15 -1.494 2.873 -14.967 1.00 0.00 H new ATOM 0 HA SER A 15 -1.688 5.101 -16.475 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.940 4.401 -18.560 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.467 2.746 -18.326 1.00 0.00 H new ATOM 0 HG SER A 15 -2.841 3.902 -19.816 1.00 0.00 H new ATOM 227 N THR A 16 -3.644 2.618 -15.752 1.00 0.00 N ATOM 228 CA THR A 16 -5.030 2.234 -15.366 1.00 0.00 C ATOM 229 C THR A 16 -5.000 1.604 -13.973 1.00 0.00 C ATOM 230 O THR A 16 -5.972 1.633 -13.245 1.00 0.00 O ATOM 231 CB THR A 16 -5.563 1.212 -16.371 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.362 0.254 -15.692 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.384 0.508 -17.051 1.00 0.00 C ATOM 0 H THR A 16 -2.932 1.918 -15.543 1.00 0.00 H new ATOM 0 HA THR A 16 -5.674 3.114 -15.360 1.00 0.00 H new ATOM 0 HB THR A 16 -6.167 1.719 -17.123 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.705 -0.401 -16.335 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.760 -0.221 -17.768 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.771 1.245 -17.570 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.781 -0.001 -16.299 1.00 0.00 H new ATOM 241 N MET A 17 -3.885 1.033 -13.602 1.00 0.00 N ATOM 242 CA MET A 17 -3.775 0.394 -12.260 1.00 0.00 C ATOM 243 C MET A 17 -4.375 1.317 -11.198 1.00 0.00 C ATOM 244 O MET A 17 -5.351 0.987 -10.553 1.00 0.00 O ATOM 245 CB MET A 17 -2.298 0.147 -11.938 1.00 0.00 C ATOM 246 CG MET A 17 -2.177 -0.491 -10.554 1.00 0.00 C ATOM 247 SD MET A 17 -0.525 -1.205 -10.362 1.00 0.00 S ATOM 248 CE MET A 17 -0.849 -2.121 -8.835 1.00 0.00 C ATOM 0 H MET A 17 -3.042 0.982 -14.174 1.00 0.00 H new ATOM 0 HA MET A 17 -4.316 -0.552 -12.264 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.855 -0.505 -12.691 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.747 1.087 -11.966 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.354 0.256 -9.780 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.936 -1.264 -10.430 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.055 -2.648 -8.528 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.148 -1.426 -8.050 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.649 -2.842 -9.006 1.00 0.00 H new ATOM 258 N ARG A 18 -3.799 2.471 -11.013 1.00 0.00 N ATOM 259 CA ARG A 18 -4.331 3.417 -9.993 1.00 0.00 C ATOM 260 C ARG A 18 -5.845 3.560 -10.165 1.00 0.00 C ATOM 261 O ARG A 18 -6.560 3.857 -9.229 1.00 0.00 O ATOM 262 CB ARG A 18 -3.666 4.782 -10.171 1.00 0.00 C ATOM 263 CG ARG A 18 -2.145 4.618 -10.120 1.00 0.00 C ATOM 264 CD ARG A 18 -1.525 5.193 -11.394 1.00 0.00 C ATOM 265 NE ARG A 18 -2.035 6.576 -11.615 1.00 0.00 N ATOM 266 CZ ARG A 18 -1.647 7.255 -12.660 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.627 6.845 -13.364 1.00 0.00 N ATOM 268 NH2 ARG A 18 -2.280 8.345 -13.001 1.00 0.00 N ATOM 0 H ARG A 18 -2.981 2.801 -11.525 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.116 3.034 -8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.963 5.222 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.996 5.464 -9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.743 5.129 -9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.886 3.564 -10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.438 5.204 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.772 4.562 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.687 6.992 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.133 5.993 -13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.324 7.376 -14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.077 8.665 -12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.977 8.876 -13.817 1.00 0.00 H new ATOM 282 N ARG A 19 -6.340 3.353 -11.355 1.00 0.00 N ATOM 283 CA ARG A 19 -7.807 3.479 -11.582 1.00 0.00 C ATOM 284 C ARG A 19 -8.520 2.241 -11.034 1.00 0.00 C ATOM 285 O ARG A 19 -9.644 2.310 -10.580 1.00 0.00 O ATOM 286 CB ARG A 19 -8.086 3.607 -13.080 1.00 0.00 C ATOM 287 CG ARG A 19 -8.897 4.878 -13.340 1.00 0.00 C ATOM 288 CD ARG A 19 -9.205 4.993 -14.835 1.00 0.00 C ATOM 289 NE ARG A 19 -9.491 6.416 -15.174 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.719 6.858 -15.159 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.669 6.133 -14.632 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.998 8.025 -15.671 1.00 0.00 N ATOM 0 H ARG A 19 -5.793 3.102 -12.178 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.176 4.367 -11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.148 3.641 -13.634 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.634 2.734 -13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.825 4.853 -12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.339 5.752 -13.005 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.360 4.631 -15.420 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.061 4.368 -15.090 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.726 7.045 -15.418 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.452 5.220 -14.232 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.628 6.479 -14.621 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.257 8.592 -16.083 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.958 8.371 -15.659 1.00 0.00 H new ATOM 306 N ILE A 20 -7.874 1.108 -11.073 1.00 0.00 N ATOM 307 CA ILE A 20 -8.512 -0.133 -10.555 1.00 0.00 C ATOM 308 C ILE A 20 -8.693 -0.015 -9.040 1.00 0.00 C ATOM 309 O ILE A 20 -9.766 -0.233 -8.515 1.00 0.00 O ATOM 310 CB ILE A 20 -7.617 -1.337 -10.892 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.120 -1.995 -12.180 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.646 -2.372 -9.757 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.197 -0.949 -13.293 1.00 0.00 C ATOM 0 H ILE A 20 -6.931 0.989 -11.442 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.489 -0.273 -11.018 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.594 -0.984 -11.021 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.451 -2.804 -12.473 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.102 -2.438 -12.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.006 -3.215 -10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.285 -1.913 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.667 -2.723 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.555 -1.418 -14.209 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.884 -0.155 -12.999 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.207 -0.527 -13.465 1.00 0.00 H new ATOM 325 N VAL A 21 -7.648 0.312 -8.335 1.00 0.00 N ATOM 326 CA VAL A 21 -7.759 0.426 -6.853 1.00 0.00 C ATOM 327 C VAL A 21 -8.641 1.618 -6.477 1.00 0.00 C ATOM 328 O VAL A 21 -9.412 1.555 -5.541 1.00 0.00 O ATOM 329 CB VAL A 21 -6.370 0.601 -6.238 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.088 -0.567 -5.293 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.316 0.623 -7.346 1.00 0.00 C ATOM 0 H VAL A 21 -6.723 0.505 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.213 -0.487 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.332 1.540 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.099 -0.447 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.838 -0.585 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.126 -1.503 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.327 0.748 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.351 -0.315 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.518 1.452 -8.024 1.00 0.00 H new ATOM 341 N ARG A 22 -8.540 2.704 -7.190 1.00 0.00 N ATOM 342 CA ARG A 22 -9.383 3.887 -6.861 1.00 0.00 C ATOM 343 C ARG A 22 -10.837 3.441 -6.703 1.00 0.00 C ATOM 344 O ARG A 22 -11.485 3.715 -5.712 1.00 0.00 O ATOM 345 CB ARG A 22 -9.298 4.897 -8.001 1.00 0.00 C ATOM 346 CG ARG A 22 -8.453 6.095 -7.568 1.00 0.00 C ATOM 347 CD ARG A 22 -8.287 7.054 -8.747 1.00 0.00 C ATOM 348 NE ARG A 22 -6.860 7.076 -9.175 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.336 8.174 -9.646 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.012 8.909 -10.487 1.00 0.00 N ATOM 351 NH2 ARG A 22 -5.139 8.536 -9.277 1.00 0.00 N ATOM 0 H ARG A 22 -7.912 2.824 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.030 4.341 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.858 4.429 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.298 5.228 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.930 6.608 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.477 5.758 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.921 6.740 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.607 8.056 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.292 6.232 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.948 8.624 -10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.604 9.768 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.612 7.961 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.730 9.394 -9.645 1.00 0.00 H new ATOM 365 N ASN A 23 -11.346 2.755 -7.685 1.00 0.00 N ATOM 366 CA ASN A 23 -12.742 2.277 -7.641 1.00 0.00 C ATOM 367 C ASN A 23 -12.877 1.182 -6.592 1.00 0.00 C ATOM 368 O ASN A 23 -13.659 1.270 -5.667 1.00 0.00 O ATOM 369 CB ASN A 23 -13.047 1.679 -9.000 1.00 0.00 C ATOM 370 CG ASN A 23 -14.397 2.186 -9.509 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.338 1.426 -9.633 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.535 3.448 -9.814 1.00 0.00 N ATOM 0 H ASN A 23 -10.837 2.503 -8.532 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.420 3.094 -7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.261 1.944 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.061 0.591 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.431 3.795 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.747 4.087 -9.711 1.00 0.00 H new ATOM 379 N LEU A 24 -12.117 0.141 -6.756 1.00 0.00 N ATOM 380 CA LEU A 24 -12.164 -1.003 -5.808 1.00 0.00 C ATOM 381 C LEU A 24 -12.230 -0.482 -4.366 1.00 0.00 C ATOM 382 O LEU A 24 -12.964 -0.994 -3.545 1.00 0.00 O ATOM 383 CB LEU A 24 -10.894 -1.833 -6.017 1.00 0.00 C ATOM 384 CG LEU A 24 -11.064 -3.277 -5.497 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.830 -4.277 -6.639 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.049 -3.576 -4.391 1.00 0.00 C ATOM 0 H LEU A 24 -11.452 0.032 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.048 -1.616 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.644 -1.855 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.059 -1.357 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.077 -3.374 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.952 -5.293 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.552 -4.095 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.820 -4.153 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.186 -4.598 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.039 -3.459 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.199 -2.883 -3.563 1.00 0.00 H new ATOM 398 N LEU A 25 -11.479 0.543 -4.052 1.00 0.00 N ATOM 399 CA LEU A 25 -11.520 1.099 -2.667 1.00 0.00 C ATOM 400 C LEU A 25 -12.860 1.801 -2.463 1.00 0.00 C ATOM 401 O LEU A 25 -13.526 1.618 -1.463 1.00 0.00 O ATOM 402 CB LEU A 25 -10.380 2.105 -2.478 1.00 0.00 C ATOM 403 CG LEU A 25 -9.132 1.379 -1.974 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.884 2.162 -2.388 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.182 1.279 -0.447 1.00 0.00 C ATOM 0 H LEU A 25 -10.842 1.017 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.405 0.294 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.165 2.607 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.676 2.876 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.096 0.379 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.994 1.645 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.846 2.238 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.922 3.162 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.293 0.762 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.218 2.280 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.071 0.724 -0.148 1.00 0.00 H new ATOM 417 N LYS A 26 -13.265 2.600 -3.411 1.00 0.00 N ATOM 418 CA LYS A 26 -14.560 3.308 -3.281 1.00 0.00 C ATOM 419 C LYS A 26 -15.673 2.282 -3.063 1.00 0.00 C ATOM 420 O LYS A 26 -16.593 2.501 -2.300 1.00 0.00 O ATOM 421 CB LYS A 26 -14.841 4.106 -4.555 1.00 0.00 C ATOM 422 CG LYS A 26 -14.662 5.598 -4.274 1.00 0.00 C ATOM 423 CD LYS A 26 -14.675 6.369 -5.594 1.00 0.00 C ATOM 424 CE LYS A 26 -13.239 6.685 -6.017 1.00 0.00 C ATOM 425 NZ LYS A 26 -13.241 7.276 -7.385 1.00 0.00 N ATOM 0 H LYS A 26 -12.750 2.791 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.519 3.991 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.165 3.791 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.855 3.910 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.461 5.955 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.722 5.770 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.171 5.781 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.244 7.292 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.785 7.380 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.636 5.777 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.265 7.491 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.658 6.599 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.802 8.152 -7.384 1.00 0.00 H new ATOM 439 N GLU A 27 -15.594 1.158 -3.726 1.00 0.00 N ATOM 440 CA GLU A 27 -16.642 0.122 -3.553 1.00 0.00 C ATOM 441 C GLU A 27 -16.790 -0.200 -2.066 1.00 0.00 C ATOM 442 O GLU A 27 -17.824 -0.653 -1.617 1.00 0.00 O ATOM 443 CB GLU A 27 -16.237 -1.144 -4.308 1.00 0.00 C ATOM 444 CG GLU A 27 -16.806 -1.099 -5.726 1.00 0.00 C ATOM 445 CD GLU A 27 -18.238 -1.637 -5.716 1.00 0.00 C ATOM 446 OE1 GLU A 27 -19.065 -1.050 -5.040 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.481 -2.629 -6.385 1.00 0.00 O ATOM 0 H GLU A 27 -14.848 0.917 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.590 0.491 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.151 -1.227 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.607 -2.026 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.793 -0.076 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.187 -1.694 -6.397 1.00 0.00 H new ATOM 454 N LEU A 28 -15.757 0.026 -1.300 1.00 0.00 N ATOM 455 CA LEU A 28 -15.831 -0.271 0.157 1.00 0.00 C ATOM 456 C LEU A 28 -16.420 0.930 0.898 1.00 0.00 C ATOM 457 O LEU A 28 -17.196 0.779 1.821 1.00 0.00 O ATOM 458 CB LEU A 28 -14.423 -0.550 0.689 1.00 0.00 C ATOM 459 CG LEU A 28 -14.330 -2.001 1.176 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.889 -2.318 1.595 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.254 -2.197 2.380 1.00 0.00 C ATOM 0 H LEU A 28 -14.866 0.403 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.466 -1.143 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.686 -0.372 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.191 0.133 1.506 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.630 -2.667 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.829 -3.350 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.224 -2.181 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.589 -1.648 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.187 -3.229 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.952 -1.525 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.281 -1.977 2.090 1.00 0.00 H new ATOM 473 N GLY A 29 -16.049 2.120 0.504 1.00 0.00 N ATOM 474 CA GLY A 29 -16.568 3.335 1.179 1.00 0.00 C ATOM 475 C GLY A 29 -15.432 4.344 1.380 1.00 0.00 C ATOM 476 O GLY A 29 -15.602 5.359 2.023 1.00 0.00 O ATOM 0 H GLY A 29 -15.402 2.298 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.362 3.782 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.004 3.069 2.142 1.00 0.00 H new ATOM 480 N PHE A 30 -14.275 4.081 0.839 1.00 0.00 N ATOM 481 CA PHE A 30 -13.145 5.033 1.027 1.00 0.00 C ATOM 482 C PHE A 30 -13.163 6.072 -0.098 1.00 0.00 C ATOM 483 O PHE A 30 -13.448 5.763 -1.237 1.00 0.00 O ATOM 484 CB PHE A 30 -11.820 4.268 0.966 1.00 0.00 C ATOM 485 CG PHE A 30 -11.708 3.302 2.120 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.175 3.721 3.342 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.113 1.975 1.953 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.048 2.810 4.398 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.992 1.066 3.009 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.458 1.483 4.233 1.00 0.00 C ATOM 0 H PHE A 30 -14.064 3.255 0.279 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.247 5.527 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.751 3.725 0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.987 4.971 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.861 4.746 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.520 1.651 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.633 3.133 5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.311 0.042 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.363 0.782 5.049 1.00 0.00 H new ATOM 500 N ASN A 31 -12.863 7.305 0.216 1.00 0.00 N ATOM 501 CA ASN A 31 -12.866 8.365 -0.833 1.00 0.00 C ATOM 502 C ASN A 31 -11.779 9.400 -0.524 1.00 0.00 C ATOM 503 O ASN A 31 -12.060 10.564 -0.316 1.00 0.00 O ATOM 504 CB ASN A 31 -14.233 9.052 -0.854 1.00 0.00 C ATOM 505 CG ASN A 31 -14.322 9.984 -2.064 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.239 10.273 -2.733 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.389 10.456 -2.404 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.616 7.623 1.153 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.667 7.914 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.026 8.305 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.380 9.619 0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.236 10.231 -1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.438 11.077 -3.211 1.00 0.00 H new ATOM 514 N ASN A 32 -10.543 8.986 -0.496 1.00 0.00 N ATOM 515 CA ASN A 32 -9.437 9.941 -0.204 1.00 0.00 C ATOM 516 C ASN A 32 -8.101 9.258 -0.507 1.00 0.00 C ATOM 517 O ASN A 32 -7.582 8.500 0.289 1.00 0.00 O ATOM 518 CB ASN A 32 -9.494 10.348 1.270 1.00 0.00 C ATOM 519 CG ASN A 32 -9.462 11.874 1.380 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.319 12.481 1.546 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -10.488 12.521 1.315 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.250 8.023 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.538 10.833 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.402 9.959 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.652 9.916 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.382 12.048 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.455 13.538 1.390 1.00 0.00 H new ATOM 528 N VAL A 33 -7.548 9.501 -1.664 1.00 0.00 N ATOM 529 CA VAL A 33 -6.258 8.847 -2.022 1.00 0.00 C ATOM 530 C VAL A 33 -5.460 9.753 -2.961 1.00 0.00 C ATOM 531 O VAL A 33 -6.024 10.537 -3.699 1.00 0.00 O ATOM 532 CB VAL A 33 -6.565 7.526 -2.729 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.683 7.745 -3.745 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.316 7.020 -3.454 1.00 0.00 C ATOM 0 H VAL A 33 -7.933 10.123 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.671 8.666 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.876 6.788 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.904 6.805 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.577 8.100 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.367 8.486 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.542 6.079 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.000 7.757 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.515 6.863 -2.732 1.00 0.00 H new ATOM 544 N GLU A 34 -4.150 9.641 -2.952 1.00 0.00 N ATOM 545 CA GLU A 34 -3.314 10.480 -3.855 1.00 0.00 C ATOM 546 C GLU A 34 -2.506 9.560 -4.760 1.00 0.00 C ATOM 547 O GLU A 34 -2.774 8.377 -4.852 1.00 0.00 O ATOM 548 CB GLU A 34 -2.382 11.360 -3.025 1.00 0.00 C ATOM 549 CG GLU A 34 -3.195 12.486 -2.368 1.00 0.00 C ATOM 550 CD GLU A 34 -2.783 13.829 -2.974 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.591 14.072 -3.070 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.667 14.590 -3.333 1.00 0.00 O ATOM 0 H GLU A 34 -3.628 9.001 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.948 11.126 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.884 10.763 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.602 11.782 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.261 12.317 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.024 12.492 -1.291 1.00 0.00 H new ATOM 559 N GLU A 35 -1.535 10.084 -5.447 1.00 0.00 N ATOM 560 CA GLU A 35 -0.743 9.219 -6.361 1.00 0.00 C ATOM 561 C GLU A 35 0.689 9.732 -6.490 1.00 0.00 C ATOM 562 O GLU A 35 0.949 10.918 -6.449 1.00 0.00 O ATOM 563 CB GLU A 35 -1.406 9.220 -7.742 1.00 0.00 C ATOM 564 CG GLU A 35 -0.751 8.168 -8.640 1.00 0.00 C ATOM 565 CD GLU A 35 -0.183 8.844 -9.890 1.00 0.00 C ATOM 566 OE1 GLU A 35 -0.967 9.196 -10.756 1.00 0.00 O ATOM 567 OE2 GLU A 35 1.026 8.997 -9.961 1.00 0.00 O ATOM 0 H GLU A 35 -1.256 11.065 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.713 8.209 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.471 9.012 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.315 10.206 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.044 7.656 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.482 7.411 -8.924 1.00 0.00 H new ATOM 574 N ALA A 36 1.610 8.829 -6.677 1.00 0.00 N ATOM 575 CA ALA A 36 3.036 9.211 -6.849 1.00 0.00 C ATOM 576 C ALA A 36 3.572 8.455 -8.062 1.00 0.00 C ATOM 577 O ALA A 36 2.814 7.890 -8.824 1.00 0.00 O ATOM 578 CB ALA A 36 3.831 8.831 -5.597 1.00 0.00 C ATOM 0 H ALA A 36 1.430 7.826 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 36 3.132 10.286 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.875 9.114 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.421 9.353 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.764 7.755 -5.436 1.00 0.00 H new ATOM 584 N GLU A 37 4.859 8.445 -8.258 1.00 0.00 N ATOM 585 CA GLU A 37 5.423 7.726 -9.439 1.00 0.00 C ATOM 586 C GLU A 37 6.709 6.995 -9.054 1.00 0.00 C ATOM 587 O GLU A 37 7.299 6.308 -9.864 1.00 0.00 O ATOM 588 CB GLU A 37 5.731 8.739 -10.542 1.00 0.00 C ATOM 589 CG GLU A 37 6.545 9.894 -9.956 1.00 0.00 C ATOM 590 CD GLU A 37 6.900 10.885 -11.066 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.244 10.851 -12.093 1.00 0.00 O ATOM 592 OE2 GLU A 37 7.821 11.660 -10.868 1.00 0.00 O ATOM 0 H GLU A 37 5.545 8.901 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 37 4.694 6.996 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.287 8.259 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.804 9.115 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.973 10.396 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.454 9.513 -9.490 1.00 0.00 H new ATOM 599 N ASP A 38 7.146 7.124 -7.829 1.00 0.00 N ATOM 600 CA ASP A 38 8.395 6.431 -7.404 1.00 0.00 C ATOM 601 C ASP A 38 8.608 6.687 -5.918 1.00 0.00 C ATOM 602 O ASP A 38 7.685 7.006 -5.199 1.00 0.00 O ATOM 603 CB ASP A 38 9.596 6.985 -8.184 1.00 0.00 C ATOM 604 CG ASP A 38 10.079 8.279 -7.526 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.267 9.174 -7.359 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.253 8.354 -7.203 1.00 0.00 O ATOM 0 H ASP A 38 6.691 7.680 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 38 8.305 5.363 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.402 6.251 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.314 7.174 -9.220 1.00 0.00 H new ATOM 611 N GLY A 39 9.816 6.565 -5.449 1.00 0.00 N ATOM 612 CA GLY A 39 10.062 6.821 -4.008 1.00 0.00 C ATOM 613 C GLY A 39 10.301 8.311 -3.801 1.00 0.00 C ATOM 614 O GLY A 39 9.778 8.907 -2.886 1.00 0.00 O ATOM 0 H GLY A 39 10.636 6.302 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.208 6.491 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.926 6.250 -3.667 1.00 0.00 H new ATOM 618 N VAL A 40 11.065 8.932 -4.652 1.00 0.00 N ATOM 619 CA VAL A 40 11.294 10.389 -4.489 1.00 0.00 C ATOM 620 C VAL A 40 9.934 11.070 -4.358 1.00 0.00 C ATOM 621 O VAL A 40 9.764 12.019 -3.615 1.00 0.00 O ATOM 622 CB VAL A 40 12.029 10.937 -5.714 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.085 12.464 -5.636 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.452 10.376 -5.747 1.00 0.00 C ATOM 0 H VAL A 40 11.536 8.498 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 40 11.900 10.580 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 40 11.499 10.639 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.609 12.854 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.072 12.865 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.615 12.763 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.977 10.766 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.982 10.674 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.413 9.288 -5.803 1.00 0.00 H new ATOM 634 N ASP A 41 8.960 10.575 -5.073 1.00 0.00 N ATOM 635 CA ASP A 41 7.602 11.172 -5.005 1.00 0.00 C ATOM 636 C ASP A 41 6.901 10.716 -3.727 1.00 0.00 C ATOM 637 O ASP A 41 6.434 11.520 -2.945 1.00 0.00 O ATOM 638 CB ASP A 41 6.793 10.710 -6.216 1.00 0.00 C ATOM 639 CG ASP A 41 5.592 11.636 -6.416 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.961 11.978 -5.429 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.323 11.988 -7.553 1.00 0.00 O ATOM 0 H ASP A 41 9.050 9.778 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 41 7.682 12.259 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.420 10.714 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.454 9.685 -6.069 1.00 0.00 H new ATOM 646 N ALA A 42 6.811 9.432 -3.508 1.00 0.00 N ATOM 647 CA ALA A 42 6.127 8.937 -2.284 1.00 0.00 C ATOM 648 C ALA A 42 6.769 9.552 -1.041 1.00 0.00 C ATOM 649 O ALA A 42 6.096 10.122 -0.217 1.00 0.00 O ATOM 650 CB ALA A 42 6.237 7.416 -2.215 1.00 0.00 C ATOM 0 H ALA A 42 7.181 8.708 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 42 5.076 9.225 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.735 7.055 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.767 6.977 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.288 7.128 -2.184 1.00 0.00 H new ATOM 656 N LEU A 43 8.060 9.433 -0.895 1.00 0.00 N ATOM 657 CA LEU A 43 8.730 10.007 0.310 1.00 0.00 C ATOM 658 C LEU A 43 8.375 11.488 0.461 1.00 0.00 C ATOM 659 O LEU A 43 7.833 11.905 1.465 1.00 0.00 O ATOM 660 CB LEU A 43 10.249 9.871 0.175 1.00 0.00 C ATOM 661 CG LEU A 43 10.716 8.614 0.907 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.940 7.402 0.388 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.211 8.407 0.659 1.00 0.00 C ATOM 0 H LEU A 43 8.680 8.965 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 43 8.386 9.461 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.528 9.816 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.742 10.750 0.590 1.00 0.00 H new ATOM 0 HG LEU A 43 10.537 8.728 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.274 6.505 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.874 7.549 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.118 7.286 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.546 7.510 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.390 8.293 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.764 9.270 1.029 1.00 0.00 H new ATOM 675 N ASN A 44 8.692 12.290 -0.519 1.00 0.00 N ATOM 676 CA ASN A 44 8.388 13.746 -0.416 1.00 0.00 C ATOM 677 C ASN A 44 6.899 13.965 -0.134 1.00 0.00 C ATOM 678 O ASN A 44 6.519 14.902 0.540 1.00 0.00 O ATOM 679 CB ASN A 44 8.761 14.435 -1.730 1.00 0.00 C ATOM 680 CG ASN A 44 10.244 14.807 -1.708 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.598 15.923 -1.383 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.134 13.913 -2.045 1.00 0.00 N ATOM 0 H ASN A 44 9.147 12.001 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 44 8.967 14.169 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.554 13.774 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.153 15.329 -1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.126 14.152 -2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.838 12.976 -2.318 1.00 0.00 H new ATOM 689 N LYS A 45 6.052 13.123 -0.655 1.00 0.00 N ATOM 690 CA LYS A 45 4.587 13.305 -0.427 1.00 0.00 C ATOM 691 C LYS A 45 4.138 12.558 0.834 1.00 0.00 C ATOM 692 O LYS A 45 3.102 12.849 1.390 1.00 0.00 O ATOM 693 CB LYS A 45 3.815 12.766 -1.634 1.00 0.00 C ATOM 694 CG LYS A 45 3.759 13.839 -2.727 1.00 0.00 C ATOM 695 CD LYS A 45 2.602 14.806 -2.452 1.00 0.00 C ATOM 696 CE LYS A 45 1.383 14.393 -3.280 1.00 0.00 C ATOM 697 NZ LYS A 45 0.996 12.997 -2.933 1.00 0.00 N ATOM 0 H LYS A 45 6.307 12.318 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 45 4.384 14.368 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.299 11.867 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.806 12.482 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.701 14.386 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.628 13.370 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.353 14.799 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.898 15.824 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.552 15.071 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.611 14.465 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.119 12.746 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.755 12.345 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.844 12.924 -1.907 1.00 0.00 H new ATOM 711 N LEU A 46 4.895 11.599 1.290 1.00 0.00 N ATOM 712 CA LEU A 46 4.475 10.844 2.509 1.00 0.00 C ATOM 713 C LEU A 46 4.357 11.812 3.687 1.00 0.00 C ATOM 714 O LEU A 46 3.666 11.550 4.652 1.00 0.00 O ATOM 715 CB LEU A 46 5.508 9.757 2.834 1.00 0.00 C ATOM 716 CG LEU A 46 4.844 8.369 2.861 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.756 8.331 3.933 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.212 8.050 1.502 1.00 0.00 C ATOM 0 H LEU A 46 5.780 11.305 0.877 1.00 0.00 H new ATOM 0 HA LEU A 46 3.510 10.371 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.304 9.771 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.970 9.964 3.799 1.00 0.00 H new ATOM 0 HG LEU A 46 5.611 7.628 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.291 7.345 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.198 8.536 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.001 9.085 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.747 7.065 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.456 8.799 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.983 8.059 0.731 1.00 0.00 H new ATOM 730 N GLN A 47 5.018 12.933 3.615 1.00 0.00 N ATOM 731 CA GLN A 47 4.933 13.919 4.727 1.00 0.00 C ATOM 732 C GLN A 47 3.782 14.885 4.446 1.00 0.00 C ATOM 733 O GLN A 47 3.480 15.760 5.233 1.00 0.00 O ATOM 734 CB GLN A 47 6.247 14.696 4.826 1.00 0.00 C ATOM 735 CG GLN A 47 7.265 13.875 5.619 1.00 0.00 C ATOM 736 CD GLN A 47 8.679 14.356 5.290 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.295 13.877 4.360 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.224 15.290 6.021 1.00 0.00 N ATOM 0 H GLN A 47 5.613 13.209 2.834 1.00 0.00 H new ATOM 0 HA GLN A 47 4.756 13.400 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.632 14.908 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.079 15.656 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.075 13.975 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.164 12.817 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.707 15.693 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.167 15.617 5.811 1.00 0.00 H new ATOM 747 N ALA A 48 3.141 14.728 3.319 1.00 0.00 N ATOM 748 CA ALA A 48 2.009 15.625 2.964 1.00 0.00 C ATOM 749 C ALA A 48 1.083 15.795 4.170 1.00 0.00 C ATOM 750 O ALA A 48 1.037 16.846 4.779 1.00 0.00 O ATOM 751 CB ALA A 48 1.224 15.015 1.801 1.00 0.00 C ATOM 0 H ALA A 48 3.356 14.011 2.626 1.00 0.00 H new ATOM 0 HA ALA A 48 2.400 16.600 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.394 15.671 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.881 14.900 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.837 14.039 2.095 1.00 0.00 H new ATOM 757 N GLY A 49 0.341 14.770 4.511 1.00 0.00 N ATOM 758 CA GLY A 49 -0.592 14.869 5.675 1.00 0.00 C ATOM 759 C GLY A 49 -0.430 13.644 6.582 1.00 0.00 C ATOM 760 O GLY A 49 -0.820 13.664 7.732 1.00 0.00 O ATOM 0 H GLY A 49 0.342 13.869 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.388 15.779 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.621 14.937 5.322 1.00 0.00 H new ATOM 764 N GLY A 50 0.140 12.585 6.070 1.00 0.00 N ATOM 765 CA GLY A 50 0.328 11.352 6.892 1.00 0.00 C ATOM 766 C GLY A 50 -0.619 10.266 6.389 1.00 0.00 C ATOM 767 O GLY A 50 -1.518 9.834 7.084 1.00 0.00 O ATOM 0 H GLY A 50 0.485 12.520 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.361 11.010 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.130 11.567 7.942 1.00 0.00 H new ATOM 771 N TYR A 51 -0.422 9.824 5.181 1.00 0.00 N ATOM 772 CA TYR A 51 -1.300 8.771 4.613 1.00 0.00 C ATOM 773 C TYR A 51 -1.476 7.641 5.622 1.00 0.00 C ATOM 774 O TYR A 51 -0.541 6.940 5.951 1.00 0.00 O ATOM 775 CB TYR A 51 -0.651 8.213 3.351 1.00 0.00 C ATOM 776 CG TYR A 51 -0.703 9.251 2.263 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.852 9.396 1.480 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.404 10.067 2.039 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.890 10.365 0.470 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.367 11.032 1.031 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.776 11.185 0.248 1.00 0.00 C ATOM 782 OH TYR A 51 -0.799 12.143 -0.743 1.00 0.00 O ATOM 0 H TYR A 51 0.317 10.151 4.558 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.274 9.200 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.383 7.934 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.169 7.309 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.709 8.762 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.291 9.953 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.776 10.480 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.227 11.662 0.857 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.507 13.003 -0.374 1.00 0.00 H new ATOM 792 N GLY A 52 -2.668 7.446 6.103 1.00 0.00 N ATOM 793 CA GLY A 52 -2.891 6.346 7.075 1.00 0.00 C ATOM 794 C GLY A 52 -2.742 5.012 6.346 1.00 0.00 C ATOM 795 O GLY A 52 -2.927 3.956 6.914 1.00 0.00 O ATOM 0 H GLY A 52 -3.493 7.997 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.173 6.412 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.884 6.427 7.516 1.00 0.00 H new ATOM 799 N PHE A 53 -2.414 5.056 5.082 1.00 0.00 N ATOM 800 CA PHE A 53 -2.253 3.794 4.309 1.00 0.00 C ATOM 801 C PHE A 53 -1.436 4.089 3.041 1.00 0.00 C ATOM 802 O PHE A 53 -1.607 5.115 2.414 1.00 0.00 O ATOM 803 CB PHE A 53 -3.644 3.287 3.911 1.00 0.00 C ATOM 804 CG PHE A 53 -3.790 1.793 4.113 1.00 0.00 C ATOM 805 CD1 PHE A 53 -2.724 0.905 3.886 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.028 1.297 4.521 1.00 0.00 C ATOM 807 CE1 PHE A 53 -2.912 -0.468 4.076 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.216 -0.067 4.709 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.156 -0.955 4.488 1.00 0.00 C ATOM 0 H PHE A 53 -2.251 5.913 4.553 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.740 3.042 4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.400 3.807 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.832 3.530 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.764 1.281 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.848 1.979 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.095 -1.153 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.178 -0.442 5.025 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.299 -2.015 4.636 1.00 0.00 H new ATOM 819 N VAL A 54 -0.554 3.206 2.652 1.00 0.00 N ATOM 820 CA VAL A 54 0.249 3.465 1.416 1.00 0.00 C ATOM 821 C VAL A 54 0.299 2.207 0.550 1.00 0.00 C ATOM 822 O VAL A 54 0.755 1.163 0.971 1.00 0.00 O ATOM 823 CB VAL A 54 1.669 3.895 1.793 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.491 4.109 0.519 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.616 5.206 2.584 1.00 0.00 C ATOM 0 H VAL A 54 -0.355 2.326 3.128 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.226 4.266 0.850 1.00 0.00 H new ATOM 0 HB VAL A 54 2.131 3.119 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.502 4.415 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.531 3.179 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.025 4.885 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.628 5.511 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.153 5.981 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.029 5.060 3.491 1.00 0.00 H new ATOM 835 N ILE A 55 -0.172 2.315 -0.664 1.00 0.00 N ATOM 836 CA ILE A 55 -0.170 1.152 -1.598 1.00 0.00 C ATOM 837 C ILE A 55 0.851 1.420 -2.709 1.00 0.00 C ATOM 838 O ILE A 55 0.952 2.521 -3.211 1.00 0.00 O ATOM 839 CB ILE A 55 -1.561 1.004 -2.226 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.633 1.005 -1.131 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.631 -0.313 -3.002 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.021 1.058 -1.775 1.00 0.00 C ATOM 0 H ILE A 55 -0.564 3.173 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 55 0.087 0.241 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.738 1.840 -2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.540 0.110 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.493 1.862 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.619 -0.420 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.875 -0.313 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.448 -1.146 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.784 1.059 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.111 1.966 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.158 0.187 -2.416 1.00 0.00 H new ATOM 854 N SER A 56 1.602 0.433 -3.105 1.00 0.00 N ATOM 855 CA SER A 56 2.601 0.647 -4.192 1.00 0.00 C ATOM 856 C SER A 56 3.088 -0.712 -4.699 1.00 0.00 C ATOM 857 O SER A 56 2.989 -1.711 -4.012 1.00 0.00 O ATOM 858 CB SER A 56 3.782 1.471 -3.667 1.00 0.00 C ATOM 859 OG SER A 56 3.302 2.698 -3.136 1.00 0.00 O ATOM 0 H SER A 56 1.569 -0.513 -2.725 1.00 0.00 H new ATOM 0 HA SER A 56 2.136 1.195 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.316 0.913 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.492 1.663 -4.472 1.00 0.00 H new ATOM 0 HG SER A 56 2.431 2.908 -3.534 1.00 0.00 H new ATOM 865 N ASP A 57 3.595 -0.765 -5.901 1.00 0.00 N ATOM 866 CA ASP A 57 4.070 -2.066 -6.456 1.00 0.00 C ATOM 867 C ASP A 57 5.206 -2.624 -5.591 1.00 0.00 C ATOM 868 O ASP A 57 5.099 -2.690 -4.383 1.00 0.00 O ATOM 869 CB ASP A 57 4.561 -1.855 -7.890 1.00 0.00 C ATOM 870 CG ASP A 57 3.391 -1.411 -8.769 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.104 -0.226 -8.785 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.801 -2.265 -9.409 1.00 0.00 O ATOM 0 H ASP A 57 3.701 0.036 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 57 3.247 -2.781 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.350 -1.103 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.991 -2.778 -8.278 1.00 0.00 H new ATOM 877 N TRP A 58 6.289 -3.037 -6.195 1.00 0.00 N ATOM 878 CA TRP A 58 7.412 -3.599 -5.390 1.00 0.00 C ATOM 879 C TRP A 58 8.627 -3.853 -6.288 1.00 0.00 C ATOM 880 O TRP A 58 9.668 -4.275 -5.826 1.00 0.00 O ATOM 881 CB TRP A 58 6.959 -4.920 -4.759 1.00 0.00 C ATOM 882 CG TRP A 58 8.133 -5.638 -4.172 1.00 0.00 C ATOM 883 CD1 TRP A 58 8.884 -6.559 -4.819 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.696 -5.521 -2.832 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.873 -7.012 -3.964 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.799 -6.403 -2.727 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.362 -4.743 -1.709 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.542 -6.509 -1.550 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.107 -4.848 -0.523 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.195 -5.730 -0.444 1.00 0.00 C ATOM 0 H TRP A 58 6.444 -3.010 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 58 7.691 -2.889 -4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.217 -4.727 -3.985 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.479 -5.546 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.736 -6.887 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.572 -7.711 -4.217 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.527 -4.060 -1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.379 -7.189 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.841 -4.246 0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.764 -5.807 0.471 1.00 0.00 H new ATOM 901 N ASN A 59 8.506 -3.605 -7.567 1.00 0.00 N ATOM 902 CA ASN A 59 9.661 -3.843 -8.484 1.00 0.00 C ATOM 903 C ASN A 59 9.703 -2.763 -9.569 1.00 0.00 C ATOM 904 O ASN A 59 10.703 -2.581 -10.233 1.00 0.00 O ATOM 905 CB ASN A 59 9.510 -5.216 -9.143 1.00 0.00 C ATOM 906 CG ASN A 59 8.034 -5.472 -9.453 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.212 -4.462 -9.535 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 7.624 -6.604 -9.621 1.00 0.00 N flip ATOM 0 H ASN A 59 7.661 -3.250 -8.015 1.00 0.00 H new ATOM 0 HA ASN A 59 10.586 -3.807 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.098 -5.258 -10.060 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.894 -5.993 -8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.266 -7.394 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.638 -6.764 -9.826 1.00 0.00 H new ATOM 915 N MET A 60 8.630 -2.045 -9.755 1.00 0.00 N ATOM 916 CA MET A 60 8.625 -0.983 -10.799 1.00 0.00 C ATOM 917 C MET A 60 9.298 0.319 -10.300 1.00 0.00 C ATOM 918 O MET A 60 9.897 1.014 -11.096 1.00 0.00 O ATOM 919 CB MET A 60 7.179 -0.704 -11.245 1.00 0.00 C ATOM 920 CG MET A 60 7.114 0.595 -12.060 1.00 0.00 C ATOM 921 SD MET A 60 8.419 0.601 -13.314 1.00 0.00 S ATOM 922 CE MET A 60 7.553 -0.400 -14.548 1.00 0.00 C ATOM 0 H MET A 60 7.760 -2.147 -9.232 1.00 0.00 H new ATOM 0 HA MET A 60 9.206 -1.341 -11.649 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.809 -1.536 -11.844 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.531 -0.627 -10.372 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.138 0.687 -12.537 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.228 1.455 -11.400 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.188 -0.526 -15.425 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.320 -1.377 -14.125 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.629 0.099 -14.838 1.00 0.00 H new ATOM 932 N PRO A 61 9.193 0.648 -9.018 1.00 0.00 N ATOM 933 CA PRO A 61 9.808 1.888 -8.505 1.00 0.00 C ATOM 934 C PRO A 61 11.339 1.781 -8.579 1.00 0.00 C ATOM 935 O PRO A 61 11.877 1.144 -9.463 1.00 0.00 O ATOM 936 CB PRO A 61 9.314 1.999 -7.048 1.00 0.00 C ATOM 937 CG PRO A 61 8.404 0.781 -6.771 1.00 0.00 C ATOM 938 CD PRO A 61 8.482 -0.144 -7.992 1.00 0.00 C ATOM 0 HA PRO A 61 9.535 2.771 -9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.157 2.012 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.765 2.929 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.729 0.257 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.377 1.102 -6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.019 -1.063 -7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.488 -0.434 -8.334 1.00 0.00 H new ATOM 946 N ASN A 62 12.043 2.398 -7.668 1.00 0.00 N ATOM 947 CA ASN A 62 13.532 2.326 -7.694 1.00 0.00 C ATOM 948 C ASN A 62 13.976 0.860 -7.637 1.00 0.00 C ATOM 949 O ASN A 62 13.221 -0.038 -7.953 1.00 0.00 O ATOM 950 CB ASN A 62 14.101 3.078 -6.487 1.00 0.00 C ATOM 951 CG ASN A 62 12.998 3.917 -5.840 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.886 5.100 -6.098 1.00 0.00 O ATOM 953 ND2 ASN A 62 12.172 3.351 -5.004 1.00 0.00 N ATOM 0 H ASN A 62 11.650 2.950 -6.906 1.00 0.00 H new ATOM 0 HA ASN A 62 13.900 2.781 -8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.506 2.371 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.924 3.720 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.432 3.901 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.266 2.359 -4.787 1.00 0.00 H new ATOM 960 N MET A 63 15.196 0.612 -7.238 1.00 0.00 N ATOM 961 CA MET A 63 15.688 -0.795 -7.160 1.00 0.00 C ATOM 962 C MET A 63 14.621 -1.676 -6.506 1.00 0.00 C ATOM 963 O MET A 63 14.564 -2.869 -6.729 1.00 0.00 O ATOM 964 CB MET A 63 16.969 -0.841 -6.325 1.00 0.00 C ATOM 965 CG MET A 63 17.570 -2.247 -6.387 1.00 0.00 C ATOM 966 SD MET A 63 19.198 -2.173 -7.174 1.00 0.00 S ATOM 967 CE MET A 63 18.622 -1.888 -8.866 1.00 0.00 C ATOM 0 H MET A 63 15.873 1.323 -6.963 1.00 0.00 H new ATOM 0 HA MET A 63 15.895 -1.163 -8.165 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.686 -0.111 -6.700 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.751 -0.572 -5.291 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.658 -2.661 -5.383 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.913 -2.911 -6.949 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.471 -1.915 -9.549 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.908 -2.664 -9.143 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.139 -0.913 -8.926 1.00 0.00 H new ATOM 977 N ASP A 64 13.772 -1.095 -5.704 1.00 0.00 N ATOM 978 CA ASP A 64 12.707 -1.895 -5.039 1.00 0.00 C ATOM 979 C ASP A 64 11.928 -0.996 -4.076 1.00 0.00 C ATOM 980 O ASP A 64 12.501 -0.222 -3.336 1.00 0.00 O ATOM 981 CB ASP A 64 13.346 -3.048 -4.261 1.00 0.00 C ATOM 982 CG ASP A 64 14.724 -2.620 -3.753 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.918 -1.432 -3.555 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.562 -3.488 -3.571 1.00 0.00 O ATOM 0 H ASP A 64 13.770 -0.100 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 64 12.029 -2.299 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.710 -3.332 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.439 -3.925 -4.901 1.00 0.00 H new ATOM 989 N GLY A 65 10.626 -1.089 -4.080 1.00 0.00 N ATOM 990 CA GLY A 65 9.821 -0.233 -3.163 1.00 0.00 C ATOM 991 C GLY A 65 10.176 -0.558 -1.711 1.00 0.00 C ATOM 992 O GLY A 65 9.611 -0.009 -0.789 1.00 0.00 O ATOM 0 H GLY A 65 10.087 -1.718 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.015 0.820 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.757 -0.400 -3.334 1.00 0.00 H new ATOM 996 N LEU A 66 11.115 -1.439 -1.491 1.00 0.00 N ATOM 997 CA LEU A 66 11.491 -1.765 -0.090 1.00 0.00 C ATOM 998 C LEU A 66 12.116 -0.519 0.535 1.00 0.00 C ATOM 999 O LEU A 66 11.614 0.017 1.502 1.00 0.00 O ATOM 1000 CB LEU A 66 12.492 -2.925 -0.068 1.00 0.00 C ATOM 1001 CG LEU A 66 13.080 -3.091 1.341 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.958 -3.101 2.384 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.843 -4.414 1.416 1.00 0.00 C ATOM 0 H LEU A 66 11.631 -1.941 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 66 10.609 -2.068 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.998 -3.847 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.292 -2.738 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 66 13.752 -2.258 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.387 -3.219 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.408 -2.161 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.280 -3.930 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.262 -4.536 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.163 -5.239 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.649 -4.411 0.682 1.00 0.00 H new ATOM 1015 N GLU A 67 13.194 -0.035 -0.023 1.00 0.00 N ATOM 1016 CA GLU A 67 13.822 1.196 0.533 1.00 0.00 C ATOM 1017 C GLU A 67 12.727 2.247 0.709 1.00 0.00 C ATOM 1018 O GLU A 67 12.685 2.968 1.686 1.00 0.00 O ATOM 1019 CB GLU A 67 14.881 1.716 -0.442 1.00 0.00 C ATOM 1020 CG GLU A 67 15.299 3.132 -0.037 1.00 0.00 C ATOM 1021 CD GLU A 67 16.632 3.481 -0.700 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.924 2.907 -1.736 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.339 4.315 -0.160 1.00 0.00 O ATOM 0 H GLU A 67 13.663 -0.437 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 67 14.299 0.981 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.748 1.055 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.485 1.719 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.534 3.848 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.392 3.199 1.047 1.00 0.00 H new ATOM 1030 N LEU A 68 11.828 2.315 -0.234 1.00 0.00 N ATOM 1031 CA LEU A 68 10.705 3.287 -0.145 1.00 0.00 C ATOM 1032 C LEU A 68 9.920 3.000 1.134 1.00 0.00 C ATOM 1033 O LEU A 68 9.418 3.888 1.790 1.00 0.00 O ATOM 1034 CB LEU A 68 9.798 3.087 -1.366 1.00 0.00 C ATOM 1035 CG LEU A 68 8.941 4.328 -1.622 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.233 4.168 -2.969 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.886 4.494 -0.521 1.00 0.00 C ATOM 0 H LEU A 68 11.825 1.732 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 68 11.075 4.312 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.407 2.874 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.154 2.222 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 68 9.584 5.208 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.618 5.047 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.975 4.062 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.600 3.281 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.287 5.382 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.239 3.617 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.381 4.601 0.444 1.00 0.00 H new ATOM 1049 N LEU A 69 9.818 1.750 1.481 1.00 0.00 N ATOM 1050 CA LEU A 69 9.075 1.351 2.707 1.00 0.00 C ATOM 1051 C LEU A 69 9.990 1.496 3.925 1.00 0.00 C ATOM 1052 O LEU A 69 9.730 2.279 4.816 1.00 0.00 O ATOM 1053 CB LEU A 69 8.672 -0.111 2.552 1.00 0.00 C ATOM 1054 CG LEU A 69 7.195 -0.320 2.898 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.790 -1.753 2.553 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.986 -0.129 4.397 1.00 0.00 C ATOM 0 H LEU A 69 10.225 0.974 0.958 1.00 0.00 H new ATOM 0 HA LEU A 69 8.196 1.980 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.857 -0.435 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.291 -0.732 3.200 1.00 0.00 H new ATOM 0 HG LEU A 69 6.598 0.397 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.739 -1.903 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.942 -1.928 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.400 -2.451 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.934 -0.278 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.591 -0.852 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.284 0.881 4.680 1.00 0.00 H new ATOM 1068 N LYS A 70 11.052 0.728 3.963 1.00 0.00 N ATOM 1069 CA LYS A 70 12.009 0.785 5.110 1.00 0.00 C ATOM 1070 C LYS A 70 12.137 2.224 5.617 1.00 0.00 C ATOM 1071 O LYS A 70 12.012 2.487 6.797 1.00 0.00 O ATOM 1072 CB LYS A 70 13.379 0.288 4.647 1.00 0.00 C ATOM 1073 CG LYS A 70 14.194 -0.173 5.856 1.00 0.00 C ATOM 1074 CD LYS A 70 15.566 -0.664 5.391 1.00 0.00 C ATOM 1075 CE LYS A 70 16.433 -0.987 6.609 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.063 0.265 7.116 1.00 0.00 N ATOM 0 H LYS A 70 11.299 0.055 3.237 1.00 0.00 H new ATOM 0 HA LYS A 70 11.638 0.154 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.259 -0.534 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.907 1.084 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.311 0.648 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.668 -0.972 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.454 -1.550 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.049 0.098 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.826 -1.443 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.202 -1.711 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.653 0.046 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.655 0.682 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.321 0.941 7.388 1.00 0.00 H new ATOM 1090 N THR A 71 12.371 3.160 4.737 1.00 0.00 N ATOM 1091 CA THR A 71 12.487 4.576 5.184 1.00 0.00 C ATOM 1092 C THR A 71 11.292 4.901 6.080 1.00 0.00 C ATOM 1093 O THR A 71 11.433 5.466 7.146 1.00 0.00 O ATOM 1094 CB THR A 71 12.480 5.501 3.964 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.723 5.391 3.282 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.271 6.946 4.418 1.00 0.00 C ATOM 0 H THR A 71 12.486 3.006 3.735 1.00 0.00 H new ATOM 0 HA THR A 71 13.417 4.720 5.734 1.00 0.00 H new ATOM 0 HB THR A 71 11.670 5.213 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.681 4.649 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.266 7.603 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.318 7.029 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.079 7.237 5.089 1.00 0.00 H new ATOM 1104 N ILE A 72 10.115 4.528 5.656 1.00 0.00 N ATOM 1105 CA ILE A 72 8.903 4.791 6.481 1.00 0.00 C ATOM 1106 C ILE A 72 9.095 4.144 7.853 1.00 0.00 C ATOM 1107 O ILE A 72 8.633 4.644 8.859 1.00 0.00 O ATOM 1108 CB ILE A 72 7.676 4.180 5.795 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.593 4.682 4.345 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.411 4.593 6.550 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.522 3.903 3.566 1.00 0.00 C ATOM 0 H ILE A 72 9.941 4.051 4.771 1.00 0.00 H new ATOM 0 HA ILE A 72 8.754 5.865 6.593 1.00 0.00 H new ATOM 0 HB ILE A 72 7.764 3.094 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.356 5.746 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.561 4.567 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.538 4.159 6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.468 4.235 7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.325 5.680 6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.477 4.272 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.776 2.843 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.552 4.041 4.044 1.00 0.00 H new ATOM 1123 N ARG A 73 9.783 3.034 7.899 1.00 0.00 N ATOM 1124 CA ARG A 73 10.014 2.353 9.205 1.00 0.00 C ATOM 1125 C ARG A 73 10.929 3.222 10.069 1.00 0.00 C ATOM 1126 O ARG A 73 10.921 3.137 11.281 1.00 0.00 O ATOM 1127 CB ARG A 73 10.679 0.995 8.968 1.00 0.00 C ATOM 1128 CG ARG A 73 10.591 0.154 10.243 1.00 0.00 C ATOM 1129 CD ARG A 73 11.733 -0.865 10.268 1.00 0.00 C ATOM 1130 NE ARG A 73 11.280 -2.099 10.970 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.143 -3.024 11.288 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.110 -3.327 10.464 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.041 -3.647 12.430 1.00 0.00 N ATOM 0 H ARG A 73 10.194 2.570 7.089 1.00 0.00 H new ATOM 0 HA ARG A 73 9.060 2.203 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.189 0.477 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.722 1.134 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.647 0.799 11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.631 -0.360 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.043 -1.105 9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.601 -0.443 10.775 1.00 0.00 H new ATOM 0 HE ARG A 73 10.294 -2.220 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.191 -2.840 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.785 -4.050 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.286 -3.411 13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.716 -4.370 12.678 1.00 0.00 H new ATOM 1147 N ALA A 74 11.718 4.061 9.453 1.00 0.00 N ATOM 1148 CA ALA A 74 12.632 4.938 10.238 1.00 0.00 C ATOM 1149 C ALA A 74 11.852 5.580 11.385 1.00 0.00 C ATOM 1150 O ALA A 74 12.399 5.893 12.424 1.00 0.00 O ATOM 1151 CB ALA A 74 13.196 6.033 9.328 1.00 0.00 C ATOM 0 H ALA A 74 11.769 4.176 8.441 1.00 0.00 H new ATOM 0 HA ALA A 74 13.453 4.344 10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.865 6.675 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.748 5.575 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.377 6.630 8.926 1.00 0.00 H new ATOM 1157 N ASP A 75 10.574 5.774 11.206 1.00 0.00 N ATOM 1158 CA ASP A 75 9.755 6.390 12.284 1.00 0.00 C ATOM 1159 C ASP A 75 9.274 5.294 13.240 1.00 0.00 C ATOM 1160 O ASP A 75 8.164 4.808 13.138 1.00 0.00 O ATOM 1161 CB ASP A 75 8.549 7.101 11.663 1.00 0.00 C ATOM 1162 CG ASP A 75 8.824 8.604 11.594 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.976 8.969 11.425 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.877 9.365 11.710 1.00 0.00 O ATOM 0 H ASP A 75 10.062 5.531 10.358 1.00 0.00 H new ATOM 0 HA ASP A 75 10.355 7.114 12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.357 6.709 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.655 6.911 12.257 1.00 0.00 H new ATOM 1169 N GLY A 76 10.104 4.896 14.165 1.00 0.00 N ATOM 1170 CA GLY A 76 9.697 3.828 15.123 1.00 0.00 C ATOM 1171 C GLY A 76 8.519 4.318 15.966 1.00 0.00 C ATOM 1172 O GLY A 76 7.649 3.555 16.336 1.00 0.00 O ATOM 0 H GLY A 76 11.046 5.264 14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.418 2.925 14.580 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.535 3.566 15.769 1.00 0.00 H new ATOM 1176 N ALA A 77 8.483 5.585 16.273 1.00 0.00 N ATOM 1177 CA ALA A 77 7.360 6.122 17.093 1.00 0.00 C ATOM 1178 C ALA A 77 6.030 5.612 16.535 1.00 0.00 C ATOM 1179 O ALA A 77 5.112 5.311 17.272 1.00 0.00 O ATOM 1180 CB ALA A 77 7.381 7.651 17.048 1.00 0.00 C ATOM 0 H ALA A 77 9.182 6.272 15.992 1.00 0.00 H new ATOM 0 HA ALA A 77 7.472 5.788 18.125 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.560 8.044 17.648 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.328 8.014 17.448 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.270 7.986 16.017 1.00 0.00 H new ATOM 1186 N MET A 78 5.920 5.510 15.237 1.00 0.00 N ATOM 1187 CA MET A 78 4.650 5.018 14.631 1.00 0.00 C ATOM 1188 C MET A 78 4.761 3.517 14.372 1.00 0.00 C ATOM 1189 O MET A 78 4.149 2.710 15.044 1.00 0.00 O ATOM 1190 CB MET A 78 4.402 5.747 13.309 1.00 0.00 C ATOM 1191 CG MET A 78 4.506 7.256 13.530 1.00 0.00 C ATOM 1192 SD MET A 78 3.026 8.066 12.873 1.00 0.00 S ATOM 1193 CE MET A 78 3.873 9.233 11.780 1.00 0.00 C ATOM 0 H MET A 78 6.655 5.746 14.571 1.00 0.00 H new ATOM 0 HA MET A 78 3.821 5.210 15.313 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.130 5.427 12.563 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.416 5.493 12.921 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.610 7.472 14.593 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.396 7.646 13.037 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.136 9.847 11.263 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.529 9.873 12.370 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.464 8.683 11.048 1.00 0.00 H new ATOM 1203 N SER A 79 5.541 3.138 13.401 1.00 0.00 N ATOM 1204 CA SER A 79 5.699 1.690 13.090 1.00 0.00 C ATOM 1205 C SER A 79 4.321 1.059 12.879 1.00 0.00 C ATOM 1206 O SER A 79 4.187 -0.147 12.815 1.00 0.00 O ATOM 1207 CB SER A 79 6.404 0.994 14.254 1.00 0.00 C ATOM 1208 OG SER A 79 7.439 0.162 13.746 1.00 0.00 O ATOM 0 H SER A 79 6.078 3.770 12.807 1.00 0.00 H new ATOM 0 HA SER A 79 6.293 1.576 12.183 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.819 1.734 14.938 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.690 0.399 14.824 1.00 0.00 H new ATOM 0 HG SER A 79 7.894 -0.285 14.490 1.00 0.00 H new ATOM 1214 N ALA A 80 3.299 1.870 12.776 1.00 0.00 N ATOM 1215 CA ALA A 80 1.922 1.330 12.573 1.00 0.00 C ATOM 1216 C ALA A 80 1.469 1.595 11.135 1.00 0.00 C ATOM 1217 O ALA A 80 0.718 0.825 10.574 1.00 0.00 O ATOM 1218 CB ALA A 80 0.959 2.024 13.539 1.00 0.00 C ATOM 0 H ALA A 80 3.360 2.887 12.824 1.00 0.00 H new ATOM 0 HA ALA A 80 1.925 0.256 12.760 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.048 1.632 13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.276 1.838 14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.962 3.097 13.347 1.00 0.00 H new ATOM 1224 N LEU A 81 1.923 2.682 10.553 1.00 0.00 N ATOM 1225 CA LEU A 81 1.537 3.041 9.146 1.00 0.00 C ATOM 1226 C LEU A 81 1.312 1.762 8.305 1.00 0.00 C ATOM 1227 O LEU A 81 2.265 1.179 7.826 1.00 0.00 O ATOM 1228 CB LEU A 81 2.673 3.872 8.525 1.00 0.00 C ATOM 1229 CG LEU A 81 2.110 5.144 7.875 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.032 4.775 6.854 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.506 6.056 8.948 1.00 0.00 C ATOM 0 H LEU A 81 2.555 3.347 11.000 1.00 0.00 H new ATOM 0 HA LEU A 81 0.610 3.614 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.399 4.139 9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.201 3.278 7.779 1.00 0.00 H new ATOM 0 HG LEU A 81 2.921 5.669 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.638 5.683 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.465 4.139 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.225 4.240 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.109 6.956 8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.702 5.530 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.277 6.332 9.667 1.00 0.00 H new ATOM 1243 N PRO A 82 0.067 1.333 8.153 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.228 0.112 7.380 1.00 0.00 C ATOM 1245 C PRO A 82 0.102 0.307 5.898 1.00 0.00 C ATOM 1246 O PRO A 82 -0.189 1.332 5.309 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.736 -0.113 7.543 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.289 1.028 8.431 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.130 1.992 8.725 1.00 0.00 C ATOM 0 HA PRO A 82 0.365 -0.732 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.230 -0.115 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.931 -1.083 8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.101 1.549 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.698 0.627 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.301 2.967 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.016 2.158 9.796 1.00 0.00 H new ATOM 1257 N VAL A 83 0.676 -0.695 5.293 1.00 0.00 N ATOM 1258 CA VAL A 83 1.001 -0.619 3.842 1.00 0.00 C ATOM 1259 C VAL A 83 0.501 -1.877 3.181 1.00 0.00 C ATOM 1260 O VAL A 83 0.681 -2.964 3.691 1.00 0.00 O ATOM 1261 CB VAL A 83 2.513 -0.553 3.613 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.829 -1.042 2.188 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.014 0.883 3.770 1.00 0.00 C ATOM 0 H VAL A 83 0.936 -1.571 5.746 1.00 0.00 H new ATOM 0 HA VAL A 83 0.536 0.277 3.431 1.00 0.00 H new ATOM 0 HB VAL A 83 3.010 -1.185 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.905 -0.998 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.485 -2.070 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.321 -0.405 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.091 0.913 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.517 1.524 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.792 1.238 4.776 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.088 -1.736 2.035 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.569 -2.924 1.304 1.00 0.00 C ATOM 1275 C LEU A 84 0.142 -2.974 -0.039 1.00 0.00 C ATOM 1276 O LEU A 84 -0.448 -2.752 -1.078 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.079 -2.835 1.093 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.585 -4.139 0.469 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.402 -5.307 1.445 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.063 -3.997 0.130 1.00 0.00 C ATOM 0 H LEU A 84 -0.257 -0.843 1.572 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.357 -3.827 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.580 -2.656 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.317 -1.992 0.444 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.011 -4.340 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.767 -6.226 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.345 -5.417 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.964 -5.110 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.425 -4.924 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.626 -3.786 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.197 -3.179 -0.578 1.00 0.00 H new ATOM 1292 N MET A 85 1.413 -3.254 -0.032 1.00 0.00 N ATOM 1293 CA MET A 85 2.146 -3.308 -1.316 1.00 0.00 C ATOM 1294 C MET A 85 1.381 -4.228 -2.265 1.00 0.00 C ATOM 1295 O MET A 85 0.442 -4.894 -1.869 1.00 0.00 O ATOM 1296 CB MET A 85 3.579 -3.817 -1.081 1.00 0.00 C ATOM 1297 CG MET A 85 3.711 -5.296 -1.468 1.00 0.00 C ATOM 1298 SD MET A 85 5.308 -5.919 -0.888 1.00 0.00 S ATOM 1299 CE MET A 85 5.470 -7.277 -2.074 1.00 0.00 C ATOM 0 H MET A 85 1.969 -3.446 0.801 1.00 0.00 H new ATOM 0 HA MET A 85 2.218 -2.314 -1.758 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.280 -3.221 -1.665 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.847 -3.687 -0.032 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.899 -5.874 -1.027 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.633 -5.410 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.359 -7.862 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.589 -7.917 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.559 -6.871 -3.082 1.00 0.00 H new ATOM 1309 N VAL A 86 1.758 -4.262 -3.508 1.00 0.00 N ATOM 1310 CA VAL A 86 1.039 -5.128 -4.483 1.00 0.00 C ATOM 1311 C VAL A 86 2.051 -5.764 -5.434 1.00 0.00 C ATOM 1312 O VAL A 86 2.913 -5.097 -5.968 1.00 0.00 O ATOM 1313 CB VAL A 86 0.055 -4.261 -5.265 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.813 -5.142 -6.157 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.832 -3.498 -4.278 1.00 0.00 C ATOM 0 H VAL A 86 2.535 -3.727 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 86 0.498 -5.920 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 86 0.605 -3.556 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.513 -4.519 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.180 -5.688 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.367 -5.850 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.538 -2.876 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.380 -4.207 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.210 -2.866 -3.643 1.00 0.00 H new ATOM 1325 N THR A 87 1.964 -7.052 -5.648 1.00 0.00 N ATOM 1326 CA THR A 87 2.950 -7.709 -6.567 1.00 0.00 C ATOM 1327 C THR A 87 2.306 -8.908 -7.270 1.00 0.00 C ATOM 1328 O THR A 87 1.246 -9.358 -6.892 1.00 0.00 O ATOM 1329 CB THR A 87 4.167 -8.174 -5.765 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.065 -8.861 -6.623 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.714 -9.107 -4.644 1.00 0.00 C ATOM 0 H THR A 87 1.266 -7.671 -5.235 1.00 0.00 H new ATOM 0 HA THR A 87 3.264 -6.988 -7.321 1.00 0.00 H new ATOM 0 HB THR A 87 4.670 -7.309 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.846 -9.157 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.582 -9.438 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.027 -8.577 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.210 -9.973 -5.073 1.00 0.00 H new ATOM 1339 N ALA A 88 2.938 -9.413 -8.300 1.00 0.00 N ATOM 1340 CA ALA A 88 2.367 -10.575 -9.049 1.00 0.00 C ATOM 1341 C ALA A 88 3.326 -11.765 -8.965 1.00 0.00 C ATOM 1342 O ALA A 88 3.420 -12.563 -9.875 1.00 0.00 O ATOM 1343 CB ALA A 88 2.176 -10.184 -10.516 1.00 0.00 C ATOM 0 H ALA A 88 3.830 -9.069 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 88 1.408 -10.852 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.760 -11.028 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.494 -9.337 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.138 -9.909 -10.947 1.00 0.00 H new ATOM 1349 N GLU A 89 4.036 -11.892 -7.879 1.00 0.00 N ATOM 1350 CA GLU A 89 4.984 -13.033 -7.741 1.00 0.00 C ATOM 1351 C GLU A 89 5.182 -13.345 -6.257 1.00 0.00 C ATOM 1352 O GLU A 89 4.849 -14.415 -5.787 1.00 0.00 O ATOM 1353 CB GLU A 89 6.328 -12.665 -8.374 1.00 0.00 C ATOM 1354 CG GLU A 89 6.847 -13.850 -9.193 1.00 0.00 C ATOM 1355 CD GLU A 89 8.329 -13.641 -9.514 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.665 -12.571 -9.994 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.100 -14.554 -9.274 1.00 0.00 O ATOM 0 H GLU A 89 4.001 -11.256 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 89 4.579 -13.909 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.214 -11.790 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.048 -12.402 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.712 -14.777 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.275 -13.946 -10.116 1.00 0.00 H new ATOM 1364 N ALA A 90 5.717 -12.417 -5.513 1.00 0.00 N ATOM 1365 CA ALA A 90 5.930 -12.659 -4.059 1.00 0.00 C ATOM 1366 C ALA A 90 6.799 -13.904 -3.866 1.00 0.00 C ATOM 1367 O ALA A 90 6.305 -14.991 -3.645 1.00 0.00 O ATOM 1368 CB ALA A 90 4.575 -12.869 -3.377 1.00 0.00 C ATOM 0 H ALA A 90 6.016 -11.502 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 90 6.432 -11.799 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.727 -13.046 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.958 -11.981 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.074 -13.730 -3.820 1.00 0.00 H new ATOM 1374 N LYS A 91 8.093 -13.754 -3.948 1.00 0.00 N ATOM 1375 CA LYS A 91 8.991 -14.923 -3.767 1.00 0.00 C ATOM 1376 C LYS A 91 8.939 -15.384 -2.310 1.00 0.00 C ATOM 1377 O LYS A 91 9.713 -16.220 -1.885 1.00 0.00 O ATOM 1378 CB LYS A 91 10.420 -14.515 -4.123 1.00 0.00 C ATOM 1379 CG LYS A 91 10.486 -14.104 -5.596 1.00 0.00 C ATOM 1380 CD LYS A 91 11.070 -12.692 -5.711 1.00 0.00 C ATOM 1381 CE LYS A 91 11.038 -12.233 -7.173 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.875 -13.413 -8.069 1.00 0.00 N ATOM 0 H LYS A 91 8.565 -12.869 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 91 8.670 -15.738 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.741 -13.688 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.103 -15.344 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.102 -14.810 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.490 -14.133 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.499 -12.001 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.095 -12.681 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.217 -11.533 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.959 -11.703 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.888 -13.100 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.654 -14.082 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.969 -13.881 -7.865 1.00 0.00 H new ATOM 1396 N LYS A 92 8.036 -14.844 -1.538 1.00 0.00 N ATOM 1397 CA LYS A 92 7.937 -15.247 -0.107 1.00 0.00 C ATOM 1398 C LYS A 92 9.113 -14.650 0.670 1.00 0.00 C ATOM 1399 O LYS A 92 8.943 -13.773 1.493 1.00 0.00 O ATOM 1400 CB LYS A 92 7.970 -16.775 -0.004 1.00 0.00 C ATOM 1401 CG LYS A 92 7.072 -17.229 1.149 1.00 0.00 C ATOM 1402 CD LYS A 92 7.212 -18.741 1.345 1.00 0.00 C ATOM 1403 CE LYS A 92 6.786 -19.468 0.067 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.971 -19.650 -0.820 1.00 0.00 N ATOM 0 H LYS A 92 7.361 -14.140 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 92 7.002 -14.879 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.632 -17.220 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.992 -17.117 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.347 -16.706 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.034 -16.974 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.244 -18.992 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.596 -19.067 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.351 -20.437 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.016 -18.896 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.816 -19.143 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.818 -19.271 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.107 -20.663 -1.015 1.00 0.00 H new ATOM 1418 N GLU A 93 10.305 -15.117 0.416 1.00 0.00 N ATOM 1419 CA GLU A 93 11.485 -14.577 1.137 1.00 0.00 C ATOM 1420 C GLU A 93 11.494 -13.050 1.034 1.00 0.00 C ATOM 1421 O GLU A 93 11.745 -12.353 1.997 1.00 0.00 O ATOM 1422 CB GLU A 93 12.764 -15.138 0.513 1.00 0.00 C ATOM 1423 CG GLU A 93 13.980 -14.618 1.278 1.00 0.00 C ATOM 1424 CD GLU A 93 15.233 -15.351 0.798 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.323 -15.614 -0.390 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.082 -15.640 1.626 1.00 0.00 O ATOM 0 H GLU A 93 10.510 -15.851 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 93 11.434 -14.869 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.745 -16.228 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.828 -14.844 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.090 -13.545 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.843 -14.771 2.348 1.00 0.00 H new ATOM 1433 N ASN A 94 11.220 -12.526 -0.130 1.00 0.00 N ATOM 1434 CA ASN A 94 11.211 -11.046 -0.301 1.00 0.00 C ATOM 1435 C ASN A 94 10.046 -10.446 0.490 1.00 0.00 C ATOM 1436 O ASN A 94 10.026 -9.266 0.781 1.00 0.00 O ATOM 1437 CB ASN A 94 11.047 -10.708 -1.784 1.00 0.00 C ATOM 1438 CG ASN A 94 9.578 -10.402 -2.082 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.818 -11.289 -2.418 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.141 -9.177 -1.972 1.00 0.00 N ATOM 0 H ASN A 94 11.002 -13.060 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 94 12.150 -10.632 0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.667 -9.850 -2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.387 -11.543 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.163 -8.965 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.778 -8.432 -1.690 1.00 0.00 H new ATOM 1447 N ILE A 95 9.079 -11.246 0.841 1.00 0.00 N ATOM 1448 CA ILE A 95 7.921 -10.713 1.613 1.00 0.00 C ATOM 1449 C ILE A 95 8.278 -10.685 3.101 1.00 0.00 C ATOM 1450 O ILE A 95 7.605 -10.062 3.898 1.00 0.00 O ATOM 1451 CB ILE A 95 6.693 -11.609 1.401 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.372 -11.723 -0.098 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.489 -11.010 2.133 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.490 -10.553 -0.544 1.00 0.00 C ATOM 0 H ILE A 95 9.039 -12.243 0.628 1.00 0.00 H new ATOM 0 HA ILE A 95 7.691 -9.705 1.268 1.00 0.00 H new ATOM 0 HB ILE A 95 6.908 -12.602 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.297 -11.731 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.864 -12.667 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.617 -11.647 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.708 -10.942 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.283 -10.014 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.271 -10.647 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.558 -10.564 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.013 -9.614 -0.363 1.00 0.00 H new ATOM 1466 N ILE A 96 9.335 -11.351 3.486 1.00 0.00 N ATOM 1467 CA ILE A 96 9.728 -11.353 4.924 1.00 0.00 C ATOM 1468 C ILE A 96 10.452 -10.051 5.255 1.00 0.00 C ATOM 1469 O ILE A 96 9.994 -9.262 6.056 1.00 0.00 O ATOM 1470 CB ILE A 96 10.654 -12.536 5.208 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.932 -13.842 4.862 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.028 -12.534 6.693 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.909 -15.015 4.975 1.00 0.00 C ATOM 0 H ILE A 96 9.941 -11.892 2.868 1.00 0.00 H new ATOM 0 HA ILE A 96 8.833 -11.442 5.540 1.00 0.00 H new ATOM 0 HB ILE A 96 11.557 -12.452 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.088 -13.992 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.527 -13.789 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.689 -13.375 6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.538 -11.602 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.124 -12.623 7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.393 -15.943 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.738 -14.866 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.292 -15.072 5.994 1.00 0.00 H new ATOM 1485 N ALA A 97 11.580 -9.822 4.642 1.00 0.00 N ATOM 1486 CA ALA A 97 12.338 -8.567 4.917 1.00 0.00 C ATOM 1487 C ALA A 97 11.369 -7.389 4.888 1.00 0.00 C ATOM 1488 O ALA A 97 11.374 -6.542 5.760 1.00 0.00 O ATOM 1489 CB ALA A 97 13.415 -8.371 3.849 1.00 0.00 C ATOM 0 H ALA A 97 12.011 -10.449 3.962 1.00 0.00 H new ATOM 0 HA ALA A 97 12.814 -8.631 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.967 -7.453 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.101 -9.218 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.946 -8.302 2.868 1.00 0.00 H new ATOM 1495 N ALA A 98 10.529 -7.337 3.896 1.00 0.00 N ATOM 1496 CA ALA A 98 9.547 -6.225 3.809 1.00 0.00 C ATOM 1497 C ALA A 98 8.695 -6.208 5.080 1.00 0.00 C ATOM 1498 O ALA A 98 8.508 -5.182 5.699 1.00 0.00 O ATOM 1499 CB ALA A 98 8.644 -6.440 2.593 1.00 0.00 C ATOM 0 H ALA A 98 10.480 -8.019 3.139 1.00 0.00 H new ATOM 0 HA ALA A 98 10.073 -5.276 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.923 -5.626 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.251 -6.461 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.114 -7.387 2.696 1.00 0.00 H new ATOM 1505 N ALA A 99 8.172 -7.338 5.469 1.00 0.00 N ATOM 1506 CA ALA A 99 7.329 -7.386 6.692 1.00 0.00 C ATOM 1507 C ALA A 99 8.067 -6.723 7.856 1.00 0.00 C ATOM 1508 O ALA A 99 7.511 -5.919 8.578 1.00 0.00 O ATOM 1509 CB ALA A 99 7.025 -8.843 7.044 1.00 0.00 C ATOM 0 H ALA A 99 8.293 -8.231 4.990 1.00 0.00 H new ATOM 0 HA ALA A 99 6.397 -6.853 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.407 -8.879 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.493 -9.314 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.958 -9.376 7.225 1.00 0.00 H new ATOM 1515 N GLN A 100 9.316 -7.052 8.047 1.00 0.00 N ATOM 1516 CA GLN A 100 10.083 -6.437 9.167 1.00 0.00 C ATOM 1517 C GLN A 100 9.975 -4.915 9.080 1.00 0.00 C ATOM 1518 O GLN A 100 10.134 -4.213 10.060 1.00 0.00 O ATOM 1519 CB GLN A 100 11.554 -6.848 9.066 1.00 0.00 C ATOM 1520 CG GLN A 100 11.700 -8.324 9.439 1.00 0.00 C ATOM 1521 CD GLN A 100 13.181 -8.708 9.433 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.009 -7.987 9.954 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.554 -9.821 8.863 1.00 0.00 N ATOM 0 H GLN A 100 9.837 -7.718 7.477 1.00 0.00 H new ATOM 0 HA GLN A 100 9.674 -6.779 10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.920 -6.680 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.161 -6.233 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.270 -8.505 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.150 -8.945 8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.860 -10.427 8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.539 -10.085 8.855 1.00 0.00 H new ATOM 1532 N ALA A 101 9.710 -4.398 7.912 1.00 0.00 N ATOM 1533 CA ALA A 101 9.597 -2.919 7.759 1.00 0.00 C ATOM 1534 C ALA A 101 8.156 -2.474 8.046 1.00 0.00 C ATOM 1535 O ALA A 101 7.706 -2.501 9.174 1.00 0.00 O ATOM 1536 CB ALA A 101 9.985 -2.526 6.329 1.00 0.00 C ATOM 0 H ALA A 101 9.567 -4.935 7.057 1.00 0.00 H new ATOM 0 HA ALA A 101 10.267 -2.429 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.903 -1.445 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.012 -2.835 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.316 -3.018 5.622 1.00 0.00 H new ATOM 1542 N GLY A 102 7.439 -2.067 7.030 1.00 0.00 N ATOM 1543 CA GLY A 102 6.031 -1.616 7.211 1.00 0.00 C ATOM 1544 C GLY A 102 5.142 -2.318 6.181 1.00 0.00 C ATOM 1545 O GLY A 102 3.941 -2.155 6.166 1.00 0.00 O ATOM 0 H GLY A 102 7.777 -2.029 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.690 -1.846 8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.964 -0.535 7.090 1.00 0.00 H new ATOM 1549 N ALA A 103 5.744 -3.117 5.342 1.00 0.00 N ATOM 1550 CA ALA A 103 5.006 -3.892 4.289 1.00 0.00 C ATOM 1551 C ALA A 103 3.918 -4.765 4.917 1.00 0.00 C ATOM 1552 O ALA A 103 3.385 -5.650 4.279 1.00 0.00 O ATOM 1553 CB ALA A 103 5.995 -4.772 3.532 1.00 0.00 C ATOM 0 H ALA A 103 6.752 -3.273 5.340 1.00 0.00 H new ATOM 0 HA ALA A 103 4.529 -3.190 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.466 -5.338 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.753 -4.146 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.474 -5.462 4.227 1.00 0.00 H new ATOM 1559 N SER A 104 3.645 -4.551 6.172 1.00 0.00 N ATOM 1560 CA SER A 104 2.637 -5.376 6.923 1.00 0.00 C ATOM 1561 C SER A 104 1.536 -5.908 6.000 1.00 0.00 C ATOM 1562 O SER A 104 1.033 -6.994 6.208 1.00 0.00 O ATOM 1563 CB SER A 104 1.985 -4.503 8.000 1.00 0.00 C ATOM 1564 OG SER A 104 2.796 -4.511 9.167 1.00 0.00 O ATOM 0 H SER A 104 4.086 -3.821 6.731 1.00 0.00 H new ATOM 0 HA SER A 104 3.159 -6.226 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.865 -3.483 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.988 -4.877 8.233 1.00 0.00 H new ATOM 0 HG SER A 104 2.382 -3.952 9.857 1.00 0.00 H new ATOM 1570 N GLY A 105 1.163 -5.172 4.987 1.00 0.00 N ATOM 1571 CA GLY A 105 0.102 -5.660 4.062 1.00 0.00 C ATOM 1572 C GLY A 105 0.723 -6.031 2.714 1.00 0.00 C ATOM 1573 O GLY A 105 1.464 -5.268 2.126 1.00 0.00 O ATOM 0 H GLY A 105 1.548 -4.255 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.399 -6.527 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.656 -4.889 3.924 1.00 0.00 H new ATOM 1577 N TYR A 106 0.413 -7.196 2.214 1.00 0.00 N ATOM 1578 CA TYR A 106 0.961 -7.615 0.892 1.00 0.00 C ATOM 1579 C TYR A 106 -0.099 -8.416 0.160 1.00 0.00 C ATOM 1580 O TYR A 106 -0.440 -9.515 0.553 1.00 0.00 O ATOM 1581 CB TYR A 106 2.211 -8.484 1.062 1.00 0.00 C ATOM 1582 CG TYR A 106 2.125 -9.695 0.141 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.123 -9.538 -1.260 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.055 -10.982 0.690 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.052 -10.666 -2.089 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.983 -12.103 -0.143 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.981 -11.947 -1.530 1.00 0.00 C ATOM 1588 OH TYR A 106 1.915 -13.056 -2.347 1.00 0.00 O ATOM 0 H TYR A 106 -0.198 -7.877 2.665 1.00 0.00 H new ATOM 0 HA TYR A 106 1.235 -6.723 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.104 -7.903 0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.301 -8.809 2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.176 -8.550 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.057 -11.109 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.052 -10.546 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.929 -13.092 0.288 1.00 0.00 H new ATOM 0 HH TYR A 106 1.872 -13.866 -1.797 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.614 -7.875 -0.905 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.648 -8.598 -1.684 1.00 0.00 C ATOM 1600 C VAL A 107 -1.095 -8.908 -3.061 1.00 0.00 C ATOM 1601 O VAL A 107 -0.545 -8.052 -3.730 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.882 -7.720 -1.854 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.499 -6.477 -2.660 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.953 -8.509 -2.613 1.00 0.00 C ATOM 0 H VAL A 107 -0.360 -6.957 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.917 -9.513 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.268 -7.421 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.375 -5.842 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.724 -5.924 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.124 -6.779 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.840 -7.889 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.568 -8.796 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.214 -9.404 -2.049 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.257 -10.110 -3.516 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.761 -10.416 -4.868 1.00 0.00 C ATOM 1616 C VAL A 108 -1.636 -9.621 -5.843 1.00 0.00 C ATOM 1617 O VAL A 108 -2.394 -8.767 -5.435 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.894 -11.914 -5.154 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.075 -12.694 -4.266 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -2.325 -12.367 -4.862 1.00 0.00 C ATOM 0 H VAL A 108 -1.704 -10.880 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 108 0.291 -10.150 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.659 -12.102 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.021 -13.760 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.096 -12.375 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.158 -12.504 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.418 -13.434 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.561 -12.176 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.018 -11.815 -5.496 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.565 -9.894 -7.111 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.433 -9.144 -8.072 1.00 0.00 C ATOM 1632 C LYS A 109 -2.558 -9.957 -9.374 1.00 0.00 C ATOM 1633 O LYS A 109 -1.641 -10.680 -9.710 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.813 -7.771 -8.371 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.369 -7.933 -8.842 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.141 -7.116 -10.123 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.878 -7.746 -11.314 1.00 0.00 C ATOM 1638 NZ LYS A 109 -2.185 -7.058 -11.515 1.00 0.00 N ATOM 0 H LYS A 109 -0.952 -10.595 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.421 -8.996 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.397 -7.259 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.843 -7.148 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.316 -7.601 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.154 -8.985 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.490 -6.094 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.926 -7.061 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.270 -7.664 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.039 -8.809 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.269 -6.755 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.960 -7.712 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.239 -6.226 -10.893 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.659 -9.819 -10.101 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.821 -8.955 -9.754 1.00 0.00 C ATOM 1654 C PRO A 110 -5.634 -9.555 -8.597 1.00 0.00 C ATOM 1655 O PRO A 110 -5.482 -10.711 -8.254 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.690 -8.950 -11.019 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.001 -9.854 -12.070 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.795 -10.517 -11.391 1.00 0.00 C ATOM 0 HA PRO A 110 -4.498 -7.962 -9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.691 -9.318 -10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.801 -7.936 -11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.695 -10.609 -12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.681 -9.266 -12.930 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.959 -11.585 -11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.894 -10.412 -11.995 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.501 -8.770 -8.005 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.340 -9.278 -6.877 1.00 0.00 C ATOM 1668 C PHE A 111 -8.785 -8.880 -7.099 1.00 0.00 C ATOM 1669 O PHE A 111 -9.084 -7.903 -7.755 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.897 -8.649 -5.556 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.498 -7.217 -5.799 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.470 -6.208 -5.910 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.151 -6.906 -5.942 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.069 -4.890 -6.166 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.754 -5.594 -6.203 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.712 -4.586 -6.316 1.00 0.00 C ATOM 0 H PHE A 111 -6.664 -7.795 -8.256 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.230 -10.362 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.707 -8.695 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.059 -9.206 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.517 -6.447 -5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.408 -7.684 -5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.809 -4.108 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.706 -5.359 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.406 -3.571 -6.519 1.00 0.00 H new ATOM 1686 N THR A 112 -9.676 -9.601 -6.500 1.00 0.00 N ATOM 1687 CA THR A 112 -11.108 -9.245 -6.605 1.00 0.00 C ATOM 1688 C THR A 112 -11.435 -8.431 -5.365 1.00 0.00 C ATOM 1689 O THR A 112 -10.895 -8.685 -4.308 1.00 0.00 O ATOM 1690 CB THR A 112 -11.968 -10.508 -6.634 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.176 -11.609 -7.058 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.136 -10.311 -7.601 1.00 0.00 C ATOM 0 H THR A 112 -9.474 -10.428 -5.938 1.00 0.00 H new ATOM 0 HA THR A 112 -11.308 -8.686 -7.519 1.00 0.00 H new ATOM 0 HB THR A 112 -12.358 -10.706 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.726 -12.420 -7.075 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.748 -11.213 -7.620 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.743 -9.467 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.751 -10.112 -8.601 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.278 -7.447 -5.476 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.599 -6.622 -4.282 1.00 0.00 C ATOM 1702 C ALA A 113 -12.790 -7.535 -3.077 1.00 0.00 C ATOM 1703 O ALA A 113 -12.435 -7.193 -1.971 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.873 -5.815 -4.535 1.00 0.00 C ATOM 0 H ALA A 113 -12.756 -7.179 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.780 -5.931 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.103 -5.213 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.725 -5.161 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.701 -6.495 -4.735 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.314 -8.712 -3.283 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.481 -9.644 -2.140 1.00 0.00 C ATOM 1712 C ALA A 114 -12.092 -10.002 -1.616 1.00 0.00 C ATOM 1713 O ALA A 114 -11.850 -10.021 -0.426 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.209 -10.908 -2.603 1.00 0.00 C ATOM 0 H ALA A 114 -13.630 -9.064 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.071 -9.177 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.329 -11.588 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.190 -10.640 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.627 -11.397 -3.384 1.00 0.00 H new ATOM 1720 N THR A 115 -11.169 -10.262 -2.503 1.00 0.00 N ATOM 1721 CA THR A 115 -9.789 -10.588 -2.060 1.00 0.00 C ATOM 1722 C THR A 115 -9.201 -9.350 -1.382 1.00 0.00 C ATOM 1723 O THR A 115 -9.020 -9.326 -0.181 1.00 0.00 O ATOM 1724 CB THR A 115 -8.938 -10.984 -3.270 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.251 -12.317 -3.648 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.453 -10.890 -2.911 1.00 0.00 C ATOM 0 H THR A 115 -11.314 -10.262 -3.513 1.00 0.00 H new ATOM 0 HA THR A 115 -9.801 -11.424 -1.360 1.00 0.00 H new ATOM 0 HB THR A 115 -9.150 -10.308 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.709 -12.573 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.851 -11.173 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.213 -9.867 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.236 -11.563 -2.082 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.916 -8.309 -2.129 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.365 -7.083 -1.496 1.00 0.00 C ATOM 1736 C LEU A 116 -9.193 -6.716 -0.251 1.00 0.00 C ATOM 1737 O LEU A 116 -8.669 -6.176 0.704 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.448 -5.962 -2.539 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.109 -5.230 -2.758 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.826 -4.322 -1.591 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.934 -6.196 -2.923 1.00 0.00 C ATOM 0 H LEU A 116 -9.042 -8.261 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.334 -7.237 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.783 -6.382 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.202 -5.240 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.209 -4.657 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.879 -3.808 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.626 -3.588 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.768 -4.912 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.015 -5.629 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.839 -6.809 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.110 -6.839 -3.785 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.473 -7.000 -0.239 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.289 -6.655 0.959 1.00 0.00 C ATOM 1755 C GLU A 117 -10.857 -7.522 2.142 1.00 0.00 C ATOM 1756 O GLU A 117 -10.387 -7.028 3.148 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.776 -6.896 0.665 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.595 -6.830 1.961 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.239 -5.559 2.733 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -12.225 -5.565 3.412 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.989 -4.602 2.635 1.00 0.00 O ATOM 0 H GLU A 117 -10.981 -7.451 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.136 -5.604 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.139 -6.149 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.907 -7.870 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.660 -6.840 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.394 -7.708 2.575 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.028 -8.811 2.025 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.645 -9.733 3.133 1.00 0.00 C ATOM 1770 C GLU A 118 -9.305 -9.305 3.735 1.00 0.00 C ATOM 1771 O GLU A 118 -9.212 -9.002 4.907 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.529 -11.159 2.589 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.010 -12.150 3.651 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.638 -13.573 3.231 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.466 -13.904 3.304 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.531 -14.309 2.846 1.00 0.00 O ATOM 0 H GLU A 118 -11.420 -9.269 1.202 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.410 -9.696 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.125 -11.263 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.495 -11.373 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.558 -11.914 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.090 -12.068 3.777 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.265 -9.279 2.948 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.935 -8.873 3.487 1.00 0.00 C ATOM 1785 C LYS A 119 -7.068 -7.556 4.256 1.00 0.00 C ATOM 1786 O LYS A 119 -6.473 -7.373 5.299 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.949 -8.687 2.331 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.397 -10.048 1.905 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.138 -10.367 2.717 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.923 -9.707 2.063 1.00 0.00 C ATOM 1791 NZ LYS A 119 -1.952 -9.299 3.118 1.00 0.00 N ATOM 0 H LYS A 119 -8.278 -9.521 1.957 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.569 -9.649 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.446 -8.205 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.133 -8.032 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.149 -10.822 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.163 -10.040 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.252 -10.008 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.992 -11.446 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.450 -10.400 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.235 -8.837 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.989 -9.557 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.007 -8.270 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.182 -9.785 4.008 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.841 -6.637 3.748 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.007 -5.328 4.445 1.00 0.00 C ATOM 1807 C LEU A 120 -8.722 -5.544 5.780 1.00 0.00 C ATOM 1808 O LEU A 120 -8.276 -5.086 6.814 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.839 -4.392 3.550 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.553 -2.913 3.857 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.848 -2.611 5.326 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.089 -2.578 3.560 1.00 0.00 C ATOM 0 H LEU A 120 -8.366 -6.735 2.879 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.031 -4.881 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.616 -4.596 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.900 -4.596 3.696 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.198 -2.304 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.641 -1.560 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.896 -2.822 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.217 -3.235 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.904 -1.527 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.441 -3.200 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.878 -2.768 2.508 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.827 -6.233 5.771 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.566 -6.468 7.042 1.00 0.00 C ATOM 1826 C ASN A 121 -9.786 -7.447 7.922 1.00 0.00 C ATOM 1827 O ASN A 121 -10.010 -7.539 9.113 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.942 -7.057 6.726 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.025 -6.020 7.027 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.437 -5.284 6.152 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.508 -5.929 8.236 1.00 0.00 N ATOM 0 H ASN A 121 -10.251 -6.644 4.939 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.682 -5.522 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.990 -7.354 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.109 -7.955 7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.231 -5.241 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.163 -6.546 8.971 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.874 -8.183 7.350 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.088 -9.157 8.160 1.00 0.00 C ATOM 1840 C LYS A 122 -6.942 -8.435 8.869 1.00 0.00 C ATOM 1841 O LYS A 122 -6.571 -8.779 9.974 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.519 -10.247 7.251 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.270 -11.515 8.072 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.070 -12.272 7.500 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.834 -13.545 8.317 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.665 -14.284 7.760 1.00 0.00 N ATOM 0 H LYS A 122 -8.639 -8.153 6.358 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.743 -9.612 8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.214 -10.457 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.589 -9.907 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.085 -11.255 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.155 -12.151 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.251 -12.526 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.182 -11.640 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.653 -13.291 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.722 -14.176 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.505 -15.149 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.855 -14.538 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.819 -13.681 7.806 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.375 -7.438 8.248 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.253 -6.704 8.901 1.00 0.00 C ATOM 1862 C ILE A 123 -5.815 -5.729 9.931 1.00 0.00 C ATOM 1863 O ILE A 123 -5.238 -5.510 10.977 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.472 -5.916 7.849 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.497 -6.860 7.132 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.695 -4.787 8.540 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.826 -6.142 5.954 1.00 0.00 C ATOM 0 H ILE A 123 -6.637 -7.101 7.322 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.593 -7.421 9.389 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.158 -5.486 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.739 -7.210 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.031 -7.740 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.136 -4.221 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.394 -4.124 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.003 -5.213 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.138 -6.825 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.587 -5.814 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.275 -5.276 6.322 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.928 -5.124 9.630 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.517 -4.144 10.578 1.00 0.00 C ATOM 1881 C PHE A 124 -8.168 -4.873 11.750 1.00 0.00 C ATOM 1882 O PHE A 124 -8.212 -4.366 12.852 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.556 -3.301 9.846 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.854 -2.161 9.149 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.848 -2.428 8.211 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.206 -0.837 9.436 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.198 -1.376 7.564 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.558 0.216 8.784 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.553 -0.053 7.851 1.00 0.00 C ATOM 0 H PHE A 124 -7.455 -5.266 8.768 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.730 -3.497 10.966 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.095 -3.912 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.294 -2.916 10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.575 -3.449 7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.979 -0.629 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.422 -1.583 6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.834 1.237 9.001 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.050 0.761 7.351 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.666 -6.059 11.535 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.293 -6.799 12.662 1.00 0.00 C ATOM 1901 C GLU A 125 -8.323 -6.787 13.839 1.00 0.00 C ATOM 1902 O GLU A 125 -8.711 -6.901 14.985 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.580 -8.242 12.237 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.141 -9.024 13.425 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.319 -9.883 12.962 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -12.325 -9.313 12.575 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.194 -11.096 13.002 1.00 0.00 O ATOM 0 H GLU A 125 -8.666 -6.543 10.637 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.233 -6.327 12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.292 -8.254 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.666 -8.714 11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.365 -9.656 13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.464 -8.336 14.206 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.060 -6.628 13.558 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.049 -6.580 14.648 1.00 0.00 C ATOM 1916 C LYS A 126 -5.812 -5.115 15.013 1.00 0.00 C ATOM 1917 O LYS A 126 -5.389 -4.793 16.105 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.738 -7.210 14.168 1.00 0.00 C ATOM 1919 CG LYS A 126 -5.037 -8.382 13.227 1.00 0.00 C ATOM 1920 CD LYS A 126 -5.937 -9.399 13.937 1.00 0.00 C ATOM 1921 CE LYS A 126 -6.051 -10.661 13.081 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.331 -11.781 13.750 1.00 0.00 N ATOM 0 H LYS A 126 -6.684 -6.529 12.615 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.405 -7.134 15.516 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.133 -6.464 13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.157 -7.557 15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.525 -8.019 12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.107 -8.859 12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.524 -9.646 14.915 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -6.925 -8.971 14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -7.099 -10.923 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.629 -10.482 12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.408 -12.640 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.328 -11.530 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.753 -11.956 14.684 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.095 -4.224 14.100 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.904 -2.775 14.381 1.00 0.00 C ATOM 1938 C LEU A 127 -7.132 -2.246 15.127 1.00 0.00 C ATOM 1939 O LEU A 127 -7.087 -1.206 15.755 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.730 -2.014 13.059 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.051 -0.669 13.328 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.530 -0.850 13.342 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.431 0.320 12.223 1.00 0.00 C ATOM 0 H LEU A 127 -6.451 -4.440 13.169 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.014 -2.631 14.994 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.131 -2.603 12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.700 -1.856 12.588 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.379 -0.287 14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.051 0.110 13.534 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.255 -1.556 14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.200 -1.233 12.376 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.949 1.279 12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.102 -0.068 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.513 0.454 12.211 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.228 -2.962 15.071 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.459 -2.510 15.783 1.00 0.00 C ATOM 1957 C GLY A 128 -9.683 -1.016 15.544 1.00 0.00 C ATOM 1958 O GLY A 128 -9.451 -0.201 16.416 1.00 0.00 O ATOM 0 H GLY A 128 -8.321 -3.841 14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.321 -3.076 15.431 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.364 -2.706 16.851 1.00 0.00 H new ATOM 1962 N MET A 129 -10.135 -0.654 14.372 1.00 0.00 N ATOM 1963 CA MET A 129 -10.382 0.788 14.067 1.00 0.00 C ATOM 1964 C MET A 129 -11.888 1.056 14.063 1.00 0.00 C ATOM 1965 O MET A 129 -12.550 0.595 13.148 1.00 0.00 O ATOM 1966 CB MET A 129 -9.802 1.119 12.691 1.00 0.00 C ATOM 1967 CG MET A 129 -8.813 2.280 12.813 1.00 0.00 C ATOM 1968 SD MET A 129 -9.694 3.770 13.347 1.00 0.00 S ATOM 1969 CE MET A 129 -8.253 4.859 13.457 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.354 1.719 14.976 1.00 0.00 O ATOM 0 H MET A 129 -10.345 -1.298 13.609 1.00 0.00 H new ATOM 0 HA MET A 129 -9.905 1.410 14.824 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.301 0.244 12.277 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.604 1.383 12.002 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.030 2.031 13.529 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.324 2.457 11.855 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.571 5.852 13.777 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.545 4.454 14.180 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.774 4.928 12.480 1.00 0.00 H new