USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -101:sc= 0.0875 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.68 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00352) USER MOD Single : A 53 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.66) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -2.66! C(o=-2.7!,f=-8.9!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -54:sc= -0.466 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.274 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 87:sc= -2.09! USER MOD Single : A 96 ASN : amide:sc= -0.697 K(o=-0.7,f=-1.8) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 120:sc= -5.32! USER MOD Single : A 105 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.848 -14.196 -8.999 1.00 0.00 N ATOM 57 CA VAL A 20 -3.953 -12.831 -8.494 1.00 0.00 C ATOM 58 C VAL A 20 -3.862 -11.810 -9.624 1.00 0.00 C ATOM 59 O VAL A 20 -3.533 -12.153 -10.760 1.00 0.00 O ATOM 60 CB VAL A 20 -2.843 -12.529 -7.471 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.052 -13.333 -6.198 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.475 -12.813 -8.073 1.00 0.00 C ATOM 0 HA VAL A 20 -4.927 -12.751 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.890 -11.471 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.257 -13.105 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.015 -13.075 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.034 -14.397 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.701 -12.594 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.415 -13.862 -8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.327 -12.186 -8.952 1.00 0.00 H new ATOM 72 N GLU A 21 -4.146 -10.553 -9.302 1.00 0.00 N ATOM 73 CA GLU A 21 -4.088 -9.482 -10.287 1.00 0.00 C ATOM 74 C GLU A 21 -3.260 -8.311 -9.764 1.00 0.00 C ATOM 75 O GLU A 21 -3.562 -7.747 -8.712 1.00 0.00 O ATOM 76 CB GLU A 21 -5.500 -9.010 -10.642 1.00 0.00 C ATOM 77 CG GLU A 21 -5.859 -9.217 -12.104 1.00 0.00 C ATOM 78 CD GLU A 21 -6.654 -8.059 -12.679 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.351 -7.375 -11.901 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.576 -7.837 -13.904 1.00 0.00 O ATOM 0 H GLU A 21 -4.419 -10.252 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.609 -9.870 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.220 -9.543 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.592 -7.951 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.945 -9.349 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.437 -10.136 -12.206 1.00 0.00 H new ATOM 87 N LEU A 22 -2.214 -7.956 -10.502 1.00 0.00 N ATOM 88 CA LEU A 22 -1.341 -6.860 -10.112 1.00 0.00 C ATOM 89 C LEU A 22 -2.103 -5.543 -10.030 1.00 0.00 C ATOM 90 O LEU A 22 -3.086 -5.336 -10.742 1.00 0.00 O ATOM 91 CB LEU A 22 -0.193 -6.730 -11.111 1.00 0.00 C ATOM 92 CG LEU A 22 1.017 -7.605 -10.810 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.049 -7.488 -11.921 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.627 -7.223 -9.469 1.00 0.00 C ATOM 0 H LEU A 22 -1.951 -8.414 -11.375 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.943 -7.083 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.565 -6.978 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.128 -5.689 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 22 0.689 -8.643 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.906 -8.120 -11.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.606 -7.809 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.375 -6.451 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.490 -7.857 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.941 -6.180 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.886 -7.358 -8.681 1.00 0.00 H new ATOM 106 N HIS A 23 -1.639 -4.654 -9.158 1.00 0.00 N ATOM 107 CA HIS A 23 -2.271 -3.353 -8.983 1.00 0.00 C ATOM 108 C HIS A 23 -1.287 -2.341 -8.405 1.00 0.00 C ATOM 109 O HIS A 23 -0.900 -2.433 -7.239 1.00 0.00 O ATOM 110 CB HIS A 23 -3.486 -3.469 -8.063 1.00 0.00 C ATOM 111 CG HIS A 23 -4.711 -3.992 -8.747 1.00 0.00 C ATOM 112 ND1 HIS A 23 -5.083 -3.612 -10.021 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.653 -4.867 -8.326 1.00 0.00 C ATOM 114 CE1 HIS A 23 -6.202 -4.233 -10.352 1.00 0.00 C ATOM 115 NE2 HIS A 23 -6.567 -5.001 -9.341 1.00 0.00 N ATOM 0 H HIS A 23 -0.827 -4.812 -8.561 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.595 -3.005 -9.964 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.238 -4.126 -7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.707 -2.488 -7.642 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.681 -5.367 -7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.728 -4.130 -11.289 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.394 -5.597 -9.318 1.00 0.00 H new ATOM 124 N LYS A 24 -0.896 -1.367 -9.222 1.00 0.00 N ATOM 125 CA LYS A 24 0.028 -0.331 -8.781 1.00 0.00 C ATOM 126 C LYS A 24 -0.675 0.603 -7.805 1.00 0.00 C ATOM 127 O LYS A 24 -1.611 1.311 -8.175 1.00 0.00 O ATOM 128 CB LYS A 24 0.561 0.458 -9.980 1.00 0.00 C ATOM 129 CG LYS A 24 2.013 0.154 -10.310 1.00 0.00 C ATOM 130 CD LYS A 24 2.329 0.450 -11.767 1.00 0.00 C ATOM 131 CE LYS A 24 3.082 1.763 -11.918 1.00 0.00 C ATOM 132 NZ LYS A 24 3.585 1.956 -13.306 1.00 0.00 N ATOM 0 H LYS A 24 -1.204 -1.275 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 24 0.873 -0.802 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.055 0.238 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.458 1.524 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.665 0.747 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.224 -0.894 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.925 -0.362 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.403 0.492 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.426 2.591 -11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.920 1.783 -11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.092 2.862 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.231 1.179 -13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.783 1.962 -13.968 1.00 0.00 H new ATOM 146 N VAL A 25 -0.236 0.588 -6.550 1.00 0.00 N ATOM 147 CA VAL A 25 -0.851 1.423 -5.525 1.00 0.00 C ATOM 148 C VAL A 25 0.141 2.406 -4.915 1.00 0.00 C ATOM 149 O VAL A 25 1.294 2.068 -4.654 1.00 0.00 O ATOM 150 CB VAL A 25 -1.467 0.574 -4.386 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.947 0.884 -4.229 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.251 -0.915 -4.625 1.00 0.00 C ATOM 0 H VAL A 25 0.538 0.011 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.640 1.979 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.958 0.838 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.362 0.278 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.074 1.940 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.467 0.657 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.695 -1.483 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.721 -1.204 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.182 -1.124 -4.674 1.00 0.00 H new ATOM 162 N THR A 26 -0.337 3.621 -4.672 1.00 0.00 N ATOM 163 CA THR A 26 0.475 4.666 -4.068 1.00 0.00 C ATOM 164 C THR A 26 -0.323 5.359 -2.966 1.00 0.00 C ATOM 165 O THR A 26 -1.256 6.112 -3.247 1.00 0.00 O ATOM 166 CB THR A 26 0.909 5.681 -5.127 1.00 0.00 C ATOM 167 OG1 THR A 26 1.688 5.057 -6.131 1.00 0.00 O ATOM 168 CG2 THR A 26 1.720 6.829 -4.562 1.00 0.00 C ATOM 0 H THR A 26 -1.292 3.906 -4.887 1.00 0.00 H new ATOM 0 HA THR A 26 1.370 4.218 -3.635 1.00 0.00 H new ATOM 0 HB THR A 26 -0.018 6.081 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.636 5.249 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.995 7.511 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.126 7.363 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.623 6.440 -4.092 1.00 0.00 H new ATOM 176 N LEU A 27 0.029 5.085 -1.714 1.00 0.00 N ATOM 177 CA LEU A 27 -0.683 5.669 -0.580 1.00 0.00 C ATOM 178 C LEU A 27 0.091 6.818 0.054 1.00 0.00 C ATOM 179 O LEU A 27 1.240 7.086 -0.300 1.00 0.00 O ATOM 180 CB LEU A 27 -0.963 4.597 0.474 1.00 0.00 C ATOM 181 CG LEU A 27 -1.643 3.329 -0.046 1.00 0.00 C ATOM 182 CD1 LEU A 27 -2.073 2.444 1.114 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.836 3.680 -0.922 1.00 0.00 C ATOM 0 H LEU A 27 0.798 4.466 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.622 6.070 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.020 4.317 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.589 5.032 1.253 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.925 2.778 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.555 1.546 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.198 2.162 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.774 2.988 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.305 2.764 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.558 4.254 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.501 4.274 -1.772 1.00 0.00 H new ATOM 195 N TYR A 28 -0.555 7.484 1.006 1.00 0.00 N ATOM 196 CA TYR A 28 0.049 8.604 1.718 1.00 0.00 C ATOM 197 C TYR A 28 -0.206 8.476 3.217 1.00 0.00 C ATOM 198 O TYR A 28 -1.353 8.407 3.656 1.00 0.00 O ATOM 199 CB TYR A 28 -0.515 9.932 1.204 1.00 0.00 C ATOM 200 CG TYR A 28 -0.696 9.978 -0.297 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.384 10.203 -1.140 1.00 0.00 C ATOM 202 CD2 TYR A 28 -1.949 9.795 -0.870 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.223 10.245 -2.513 1.00 0.00 C ATOM 204 CE2 TYR A 28 -2.118 9.835 -2.240 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.031 10.060 -3.057 1.00 0.00 C ATOM 206 OH TYR A 28 -1.196 10.102 -4.422 1.00 0.00 O ATOM 0 H TYR A 28 -1.505 7.264 1.304 1.00 0.00 H new ATOM 0 HA TYR A 28 1.124 8.587 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.477 10.117 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.152 10.740 1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.367 10.348 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.804 9.619 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.073 10.421 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.098 9.691 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.139 9.952 -4.642 1.00 0.00 H new ATOM 216 N LYS A 29 0.869 8.433 3.999 1.00 0.00 N ATOM 217 CA LYS A 29 0.753 8.300 5.447 1.00 0.00 C ATOM 218 C LYS A 29 1.023 9.627 6.150 1.00 0.00 C ATOM 219 O LYS A 29 1.767 10.470 5.647 1.00 0.00 O ATOM 220 CB LYS A 29 1.723 7.233 5.959 1.00 0.00 C ATOM 221 CG LYS A 29 1.651 7.014 7.462 1.00 0.00 C ATOM 222 CD LYS A 29 2.789 6.133 7.955 1.00 0.00 C ATOM 223 CE LYS A 29 3.576 6.805 9.070 1.00 0.00 C ATOM 224 NZ LYS A 29 3.873 5.863 10.185 1.00 0.00 N ATOM 0 H LYS A 29 1.828 8.488 3.655 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.269 7.997 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.513 6.291 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.740 7.520 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.688 7.976 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.697 6.554 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.387 5.185 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.457 5.903 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.510 7.199 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.010 7.654 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.410 6.359 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.982 5.506 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.435 5.065 9.825 1.00 0.00 H new ATOM 238 N ASP A 30 0.418 9.799 7.322 1.00 0.00 N ATOM 239 CA ASP A 30 0.592 11.016 8.105 1.00 0.00 C ATOM 240 C ASP A 30 1.199 10.697 9.467 1.00 0.00 C ATOM 241 O ASP A 30 1.122 9.563 9.942 1.00 0.00 O ATOM 242 CB ASP A 30 -0.748 11.730 8.285 1.00 0.00 C ATOM 243 CG ASP A 30 -1.155 12.517 7.055 1.00 0.00 C ATOM 244 OD1 ASP A 30 -0.727 13.684 6.929 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.903 11.968 6.219 1.00 0.00 O ATOM 0 H ASP A 30 -0.198 9.108 7.750 1.00 0.00 H new ATOM 0 HA ASP A 30 1.273 11.674 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.520 10.995 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.685 12.404 9.139 1.00 0.00 H new ATOM 250 N SER A 31 1.805 11.702 10.092 1.00 0.00 N ATOM 251 CA SER A 31 2.427 11.528 11.399 1.00 0.00 C ATOM 252 C SER A 31 1.414 11.037 12.431 1.00 0.00 C ATOM 253 O SER A 31 1.774 10.363 13.397 1.00 0.00 O ATOM 254 CB SER A 31 3.051 12.843 11.868 1.00 0.00 C ATOM 255 OG SER A 31 2.342 13.957 11.351 1.00 0.00 O ATOM 0 H SER A 31 1.878 12.646 9.713 1.00 0.00 H new ATOM 0 HA SER A 31 3.208 10.774 11.301 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.051 12.881 12.957 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.092 12.890 11.548 1.00 0.00 H new ATOM 0 HG SER A 31 2.759 14.786 11.667 1.00 0.00 H new ATOM 261 N GLY A 32 0.147 11.380 12.222 1.00 0.00 N ATOM 262 CA GLY A 32 -0.894 10.967 13.146 1.00 0.00 C ATOM 263 C GLY A 32 -1.393 9.560 12.876 1.00 0.00 C ATOM 264 O GLY A 32 -1.907 8.896 13.776 1.00 0.00 O ATOM 0 H GLY A 32 -0.177 11.936 11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.512 11.023 14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.730 11.663 13.080 1.00 0.00 H new ATOM 268 N MET A 33 -1.243 9.106 11.637 1.00 0.00 N ATOM 269 CA MET A 33 -1.687 7.770 11.255 1.00 0.00 C ATOM 270 C MET A 33 -0.658 6.716 11.653 1.00 0.00 C ATOM 271 O MET A 33 0.537 6.872 11.401 1.00 0.00 O ATOM 272 CB MET A 33 -1.940 7.706 9.748 1.00 0.00 C ATOM 273 CG MET A 33 -3.041 8.641 9.276 1.00 0.00 C ATOM 274 SD MET A 33 -4.612 7.793 9.023 1.00 0.00 S ATOM 275 CE MET A 33 -5.755 9.171 9.083 1.00 0.00 C ATOM 0 H MET A 33 -0.818 9.642 10.881 1.00 0.00 H new ATOM 0 HA MET A 33 -2.617 7.561 11.784 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.017 7.951 9.222 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.201 6.684 9.475 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.176 9.436 10.009 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.734 9.115 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.772 8.806 8.942 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.678 9.666 10.051 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.511 9.881 8.293 1.00 0.00 H new ATOM 285 N GLU A 34 -1.131 5.640 12.276 1.00 0.00 N ATOM 286 CA GLU A 34 -0.254 4.558 12.707 1.00 0.00 C ATOM 287 C GLU A 34 0.122 3.650 11.537 1.00 0.00 C ATOM 288 O GLU A 34 1.006 2.803 11.655 1.00 0.00 O ATOM 289 CB GLU A 34 -0.926 3.734 13.808 1.00 0.00 C ATOM 290 CG GLU A 34 -1.073 4.483 15.123 1.00 0.00 C ATOM 291 CD GLU A 34 -2.428 4.268 15.767 1.00 0.00 C ATOM 292 OE1 GLU A 34 -3.434 4.760 15.213 1.00 0.00 O ATOM 293 OE2 GLU A 34 -2.485 3.608 16.827 1.00 0.00 O ATOM 0 H GLU A 34 -2.117 5.495 12.493 1.00 0.00 H new ATOM 0 HA GLU A 34 0.659 5.006 13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.912 3.421 13.465 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.345 2.828 13.978 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.292 4.159 15.811 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.922 5.548 14.949 1.00 0.00 H new ATOM 300 N ASP A 35 -0.555 3.835 10.409 1.00 0.00 N ATOM 301 CA ASP A 35 -0.293 3.037 9.217 1.00 0.00 C ATOM 302 C ASP A 35 -0.726 3.788 7.961 1.00 0.00 C ATOM 303 O ASP A 35 -1.024 4.981 8.016 1.00 0.00 O ATOM 304 CB ASP A 35 -1.023 1.694 9.308 1.00 0.00 C ATOM 305 CG ASP A 35 -2.531 1.852 9.315 1.00 0.00 C ATOM 306 OD1 ASP A 35 -3.083 2.240 10.364 1.00 0.00 O ATOM 307 OD2 ASP A 35 -3.161 1.585 8.268 1.00 0.00 O ATOM 0 H ASP A 35 -1.291 4.532 10.295 1.00 0.00 H new ATOM 0 HA ASP A 35 0.779 2.852 9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.731 1.067 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.711 1.175 10.214 1.00 0.00 H new ATOM 312 N PHE A 36 -0.756 3.089 6.832 1.00 0.00 N ATOM 313 CA PHE A 36 -1.152 3.701 5.571 1.00 0.00 C ATOM 314 C PHE A 36 -2.622 3.431 5.265 1.00 0.00 C ATOM 315 O PHE A 36 -3.022 3.365 4.103 1.00 0.00 O ATOM 316 CB PHE A 36 -0.272 3.189 4.432 1.00 0.00 C ATOM 317 CG PHE A 36 0.884 4.095 4.123 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.742 5.140 3.225 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.111 3.905 4.737 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.805 5.978 2.943 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.177 4.740 4.459 1.00 0.00 C ATOM 322 CZ PHE A 36 3.023 5.778 3.561 1.00 0.00 C ATOM 0 H PHE A 36 -0.511 2.101 6.765 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.018 4.779 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.109 2.201 4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.881 3.070 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.209 5.302 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.236 3.095 5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.682 6.788 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.129 4.581 4.943 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.854 6.432 3.343 1.00 0.00 H new ATOM 332 N GLY A 37 -3.421 3.284 6.315 1.00 0.00 N ATOM 333 CA GLY A 37 -4.838 3.034 6.139 1.00 0.00 C ATOM 334 C GLY A 37 -5.140 1.606 5.727 1.00 0.00 C ATOM 335 O GLY A 37 -6.178 1.339 5.124 1.00 0.00 O ATOM 0 H GLY A 37 -3.112 3.334 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.359 3.256 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.231 3.715 5.384 1.00 0.00 H new ATOM 339 N PHE A 38 -4.241 0.684 6.057 1.00 0.00 N ATOM 340 CA PHE A 38 -4.442 -0.718 5.716 1.00 0.00 C ATOM 341 C PHE A 38 -3.349 -1.600 6.315 1.00 0.00 C ATOM 342 O PHE A 38 -2.170 -1.458 5.991 1.00 0.00 O ATOM 343 CB PHE A 38 -4.527 -0.891 4.191 1.00 0.00 C ATOM 344 CG PHE A 38 -3.204 -1.051 3.486 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.238 -0.056 3.535 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.937 -2.199 2.759 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.033 -0.209 2.874 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.737 -2.357 2.096 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.784 -1.362 2.152 1.00 0.00 C ATOM 0 H PHE A 38 -3.373 0.881 6.556 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.389 -1.041 6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.143 -1.764 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.041 -0.026 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.429 0.847 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.679 -2.982 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.287 0.571 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.545 -3.259 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.155 -1.483 1.633 1.00 0.00 H new ATOM 359 N SER A 39 -3.755 -2.511 7.201 1.00 0.00 N ATOM 360 CA SER A 39 -2.818 -3.416 7.856 1.00 0.00 C ATOM 361 C SER A 39 -2.625 -4.685 7.035 1.00 0.00 C ATOM 362 O SER A 39 -3.551 -5.156 6.371 1.00 0.00 O ATOM 363 CB SER A 39 -3.319 -3.774 9.257 1.00 0.00 C ATOM 364 OG SER A 39 -2.772 -2.903 10.232 1.00 0.00 O ATOM 0 H SER A 39 -4.728 -2.639 7.480 1.00 0.00 H new ATOM 0 HA SER A 39 -1.857 -2.908 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.407 -3.717 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.048 -4.803 9.491 1.00 0.00 H new ATOM 0 HG SER A 39 -3.109 -3.151 11.118 1.00 0.00 H new ATOM 370 N VAL A 40 -1.413 -5.230 7.082 1.00 0.00 N ATOM 371 CA VAL A 40 -1.088 -6.440 6.340 1.00 0.00 C ATOM 372 C VAL A 40 -0.916 -7.640 7.267 1.00 0.00 C ATOM 373 O VAL A 40 -0.893 -7.496 8.489 1.00 0.00 O ATOM 374 CB VAL A 40 0.195 -6.257 5.507 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.014 -5.143 4.488 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.386 -5.972 6.410 1.00 0.00 C ATOM 0 H VAL A 40 -0.639 -4.851 7.628 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.927 -6.630 5.671 1.00 0.00 H new ATOM 0 HB VAL A 40 0.391 -7.185 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.930 -5.028 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.810 -5.392 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.208 -4.210 5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.282 -5.846 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.202 -5.060 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.529 -6.805 7.098 1.00 0.00 H new ATOM 386 N ALA A 41 -0.800 -8.826 6.674 1.00 0.00 N ATOM 387 CA ALA A 41 -0.634 -10.055 7.440 1.00 0.00 C ATOM 388 C ALA A 41 0.412 -10.965 6.801 1.00 0.00 C ATOM 389 O ALA A 41 0.683 -10.870 5.605 1.00 0.00 O ATOM 390 CB ALA A 41 -1.963 -10.785 7.557 1.00 0.00 C ATOM 0 H ALA A 41 -0.818 -8.960 5.663 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.286 -9.787 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.826 -11.701 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.686 -10.145 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.331 -11.033 6.561 1.00 0.00 H new ATOM 396 N ASP A 42 0.992 -11.849 7.606 1.00 0.00 N ATOM 397 CA ASP A 42 2.005 -12.780 7.117 1.00 0.00 C ATOM 398 C ASP A 42 1.369 -13.861 6.247 1.00 0.00 C ATOM 399 O ASP A 42 0.252 -14.302 6.508 1.00 0.00 O ATOM 400 CB ASP A 42 2.749 -13.422 8.290 1.00 0.00 C ATOM 401 CG ASP A 42 1.804 -14.000 9.325 1.00 0.00 C ATOM 402 OD1 ASP A 42 1.420 -15.180 9.186 1.00 0.00 O ATOM 403 OD2 ASP A 42 1.449 -13.273 10.277 1.00 0.00 O ATOM 0 H ASP A 42 0.779 -11.941 8.599 1.00 0.00 H new ATOM 0 HA ASP A 42 2.717 -12.221 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.401 -14.211 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.390 -12.677 8.762 1.00 0.00 H new ATOM 408 N GLY A 43 2.091 -14.279 5.212 1.00 0.00 N ATOM 409 CA GLY A 43 1.581 -15.302 4.318 1.00 0.00 C ATOM 410 C GLY A 43 2.463 -16.533 4.278 1.00 0.00 C ATOM 411 O GLY A 43 3.561 -16.502 3.721 1.00 0.00 O ATOM 0 H GLY A 43 3.019 -13.928 4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.578 -15.588 4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.493 -14.890 3.313 1.00 0.00 H new ATOM 415 N LEU A 44 1.984 -17.622 4.870 1.00 0.00 N ATOM 416 CA LEU A 44 2.737 -18.870 4.897 1.00 0.00 C ATOM 417 C LEU A 44 2.333 -19.776 3.741 1.00 0.00 C ATOM 418 O LEU A 44 3.123 -20.597 3.273 1.00 0.00 O ATOM 419 CB LEU A 44 2.526 -19.592 6.229 1.00 0.00 C ATOM 420 CG LEU A 44 1.064 -19.885 6.582 1.00 0.00 C ATOM 421 CD1 LEU A 44 0.778 -21.376 6.485 1.00 0.00 C ATOM 422 CD2 LEU A 44 0.734 -19.368 7.974 1.00 0.00 C ATOM 0 H LEU A 44 1.078 -17.665 5.337 1.00 0.00 H new ATOM 0 HA LEU A 44 3.794 -18.628 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.074 -20.534 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.963 -18.989 7.025 1.00 0.00 H new ATOM 0 HG LEU A 44 0.429 -19.366 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.265 -21.564 6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.971 -21.718 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.423 -21.916 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.309 -19.586 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.378 -19.856 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.896 -18.291 8.010 1.00 0.00 H new ATOM 434 N LEU A 45 1.101 -19.616 3.287 1.00 0.00 N ATOM 435 CA LEU A 45 0.579 -20.411 2.182 1.00 0.00 C ATOM 436 C LEU A 45 0.966 -19.809 0.831 1.00 0.00 C ATOM 437 O LEU A 45 0.661 -20.375 -0.219 1.00 0.00 O ATOM 438 CB LEU A 45 -0.944 -20.530 2.286 1.00 0.00 C ATOM 439 CG LEU A 45 -1.493 -21.953 2.158 1.00 0.00 C ATOM 440 CD1 LEU A 45 -3.008 -21.954 2.279 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.061 -22.571 0.836 1.00 0.00 C ATOM 0 H LEU A 45 0.439 -18.940 3.667 1.00 0.00 H new ATOM 0 HA LEU A 45 1.022 -21.405 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.261 -20.120 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.395 -19.912 1.510 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.085 -22.555 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.380 -22.974 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.296 -21.551 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.437 -21.338 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.459 -23.583 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.441 -21.968 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.027 -22.605 0.789 1.00 0.00 H new ATOM 453 N GLU A 46 1.634 -18.657 0.859 1.00 0.00 N ATOM 454 CA GLU A 46 2.056 -17.987 -0.367 1.00 0.00 C ATOM 455 C GLU A 46 3.295 -17.131 -0.123 1.00 0.00 C ATOM 456 O GLU A 46 3.517 -16.139 -0.818 1.00 0.00 O ATOM 457 CB GLU A 46 0.924 -17.113 -0.917 1.00 0.00 C ATOM 458 CG GLU A 46 -0.463 -17.702 -0.715 1.00 0.00 C ATOM 459 CD GLU A 46 -1.561 -16.810 -1.261 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.568 -16.557 -2.484 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.413 -16.362 -0.465 1.00 0.00 O ATOM 0 H GLU A 46 1.894 -18.170 1.717 1.00 0.00 H new ATOM 0 HA GLU A 46 2.303 -18.755 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.966 -16.136 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.088 -16.952 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.515 -18.675 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.631 -17.869 0.349 1.00 0.00 H new ATOM 468 N LYS A 47 4.099 -17.528 0.867 1.00 0.00 N ATOM 469 CA LYS A 47 5.330 -16.815 1.225 1.00 0.00 C ATOM 470 C LYS A 47 5.263 -15.329 0.869 1.00 0.00 C ATOM 471 O LYS A 47 5.612 -14.932 -0.243 1.00 0.00 O ATOM 472 CB LYS A 47 6.528 -17.462 0.530 1.00 0.00 C ATOM 473 CG LYS A 47 7.338 -18.375 1.437 1.00 0.00 C ATOM 474 CD LYS A 47 8.793 -17.941 1.516 1.00 0.00 C ATOM 475 CE LYS A 47 9.486 -18.532 2.733 1.00 0.00 C ATOM 476 NZ LYS A 47 10.294 -19.733 2.383 1.00 0.00 N ATOM 0 H LYS A 47 3.916 -18.350 1.442 1.00 0.00 H new ATOM 0 HA LYS A 47 5.445 -16.887 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.174 -18.036 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.179 -16.679 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.903 -18.374 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.283 -19.399 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.316 -18.252 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.847 -16.853 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.132 -17.779 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.740 -18.802 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.750 -20.106 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.674 -20.462 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.023 -19.471 1.689 1.00 0.00 H new ATOM 490 N GLY A 48 4.812 -14.516 1.818 1.00 0.00 N ATOM 491 CA GLY A 48 4.710 -13.087 1.583 1.00 0.00 C ATOM 492 C GLY A 48 3.813 -12.397 2.590 1.00 0.00 C ATOM 493 O GLY A 48 3.640 -12.879 3.709 1.00 0.00 O ATOM 0 H GLY A 48 4.515 -14.820 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.705 -12.643 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.324 -12.914 0.578 1.00 0.00 H new ATOM 497 N VAL A 49 3.240 -11.267 2.191 1.00 0.00 N ATOM 498 CA VAL A 49 2.355 -10.511 3.066 1.00 0.00 C ATOM 499 C VAL A 49 1.190 -9.918 2.282 1.00 0.00 C ATOM 500 O VAL A 49 1.364 -9.429 1.166 1.00 0.00 O ATOM 501 CB VAL A 49 3.105 -9.373 3.786 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.217 -8.731 4.841 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.389 -9.892 4.412 1.00 0.00 C ATOM 0 H VAL A 49 3.373 -10.855 1.267 1.00 0.00 H new ATOM 0 HA VAL A 49 1.976 -11.210 3.811 1.00 0.00 H new ATOM 0 HB VAL A 49 3.365 -8.613 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.764 -7.930 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.326 -8.321 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.924 -9.481 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.905 -9.074 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.152 -10.672 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.033 -10.303 3.634 1.00 0.00 H new ATOM 513 N TYR A 50 0.001 -9.964 2.873 1.00 0.00 N ATOM 514 CA TYR A 50 -1.195 -9.432 2.230 1.00 0.00 C ATOM 515 C TYR A 50 -1.899 -8.444 3.148 1.00 0.00 C ATOM 516 O TYR A 50 -1.470 -8.222 4.278 1.00 0.00 O ATOM 517 CB TYR A 50 -2.157 -10.562 1.844 1.00 0.00 C ATOM 518 CG TYR A 50 -1.512 -11.929 1.791 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.366 -12.149 1.040 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.052 -12.999 2.494 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.226 -13.395 0.990 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.467 -14.248 2.450 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.328 -14.442 1.696 1.00 0.00 C ATOM 524 OH TYR A 50 0.259 -15.685 1.649 1.00 0.00 O ATOM 0 H TYR A 50 -0.160 -10.365 3.797 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.886 -8.914 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.978 -10.587 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.591 -10.339 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.070 -11.331 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.944 -12.851 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.118 -13.549 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.898 -15.069 3.003 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.254 -16.310 2.202 1.00 0.00 H new ATOM 534 N VAL A 51 -2.982 -7.852 2.656 1.00 0.00 N ATOM 535 CA VAL A 51 -3.741 -6.888 3.439 1.00 0.00 C ATOM 536 C VAL A 51 -4.778 -7.583 4.313 1.00 0.00 C ATOM 537 O VAL A 51 -5.630 -8.321 3.819 1.00 0.00 O ATOM 538 CB VAL A 51 -4.443 -5.861 2.533 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.206 -4.839 3.366 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.431 -5.172 1.632 1.00 0.00 C ATOM 0 H VAL A 51 -3.352 -8.023 1.721 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.029 -6.366 4.079 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.161 -6.389 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.694 -4.123 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.958 -5.349 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.512 -4.313 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.942 -4.449 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.690 -4.658 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.934 -5.915 1.008 1.00 0.00 H new ATOM 550 N LYS A 52 -4.696 -7.337 5.615 1.00 0.00 N ATOM 551 CA LYS A 52 -5.624 -7.934 6.567 1.00 0.00 C ATOM 552 C LYS A 52 -6.863 -7.066 6.730 1.00 0.00 C ATOM 553 O LYS A 52 -7.951 -7.563 7.019 1.00 0.00 O ATOM 554 CB LYS A 52 -4.928 -8.135 7.920 1.00 0.00 C ATOM 555 CG LYS A 52 -5.868 -8.493 9.063 1.00 0.00 C ATOM 556 CD LYS A 52 -6.188 -9.979 9.078 1.00 0.00 C ATOM 557 CE LYS A 52 -6.009 -10.574 10.466 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.573 -10.670 10.848 1.00 0.00 N ATOM 0 H LYS A 52 -3.995 -6.727 6.036 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.939 -8.904 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.183 -8.924 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.392 -7.222 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.413 -8.208 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.792 -7.922 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.214 -10.135 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.540 -10.499 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.538 -9.960 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.460 -11.566 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.489 -11.157 11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.056 -11.205 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.170 -9.714 10.926 1.00 0.00 H new ATOM 572 N ASN A 53 -6.688 -5.768 6.544 1.00 0.00 N ATOM 573 CA ASN A 53 -7.794 -4.823 6.671 1.00 0.00 C ATOM 574 C ASN A 53 -7.410 -3.448 6.136 1.00 0.00 C ATOM 575 O ASN A 53 -6.244 -3.056 6.184 1.00 0.00 O ATOM 576 CB ASN A 53 -8.227 -4.710 8.133 1.00 0.00 C ATOM 577 CG ASN A 53 -7.116 -4.198 9.028 1.00 0.00 C ATOM 578 OD1 ASN A 53 -6.869 -2.994 9.102 1.00 0.00 O ATOM 579 ND2 ASN A 53 -6.437 -5.112 9.712 1.00 0.00 N ATOM 0 H ASN A 53 -5.793 -5.341 6.305 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.626 -5.200 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.084 -4.041 8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.555 -5.687 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.677 -4.827 10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.676 -6.099 9.620 1.00 0.00 H new ATOM 586 N ILE A 54 -8.400 -2.721 5.626 1.00 0.00 N ATOM 587 CA ILE A 54 -8.169 -1.390 5.080 1.00 0.00 C ATOM 588 C ILE A 54 -9.145 -0.376 5.668 1.00 0.00 C ATOM 589 O ILE A 54 -10.350 -0.621 5.732 1.00 0.00 O ATOM 590 CB ILE A 54 -8.306 -1.390 3.546 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.419 -2.489 2.936 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.962 -0.015 2.984 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.568 -2.033 1.767 1.00 0.00 C ATOM 0 H ILE A 54 -9.370 -3.033 5.580 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.152 -1.105 5.350 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.340 -1.607 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.765 -2.883 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.055 -3.311 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.063 -0.030 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.640 0.729 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.936 0.240 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.975 -2.871 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.213 -1.667 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.903 -1.233 2.092 1.00 0.00 H new ATOM 605 N ARG A 55 -8.616 0.766 6.096 1.00 0.00 N ATOM 606 CA ARG A 55 -9.436 1.822 6.677 1.00 0.00 C ATOM 607 C ARG A 55 -10.393 2.405 5.635 1.00 0.00 C ATOM 608 O ARG A 55 -9.962 2.844 4.569 1.00 0.00 O ATOM 609 CB ARG A 55 -8.547 2.931 7.242 1.00 0.00 C ATOM 610 CG ARG A 55 -9.159 3.658 8.427 1.00 0.00 C ATOM 611 CD ARG A 55 -8.090 4.192 9.367 1.00 0.00 C ATOM 612 NE ARG A 55 -8.614 4.446 10.707 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.974 5.163 11.628 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.789 5.696 11.360 1.00 0.00 N ATOM 615 NH2 ARG A 55 -8.522 5.344 12.822 1.00 0.00 N ATOM 0 H ARG A 55 -7.620 0.984 6.051 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.025 1.388 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.592 2.501 7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.336 3.653 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.776 4.483 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.817 2.980 8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.271 3.475 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.677 5.114 8.959 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.522 4.051 10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.363 5.557 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.304 6.244 12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.432 4.934 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.034 5.893 13.529 1.00 0.00 H new ATOM 629 N PRO A 56 -11.706 2.418 5.928 1.00 0.00 N ATOM 630 CA PRO A 56 -12.713 2.950 5.002 1.00 0.00 C ATOM 631 C PRO A 56 -12.423 4.388 4.586 1.00 0.00 C ATOM 632 O PRO A 56 -11.999 5.208 5.400 1.00 0.00 O ATOM 633 CB PRO A 56 -14.015 2.883 5.807 1.00 0.00 C ATOM 634 CG PRO A 56 -13.776 1.834 6.835 1.00 0.00 C ATOM 635 CD PRO A 56 -12.314 1.913 7.173 1.00 0.00 C ATOM 0 HA PRO A 56 -12.741 2.384 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.244 3.844 6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.861 2.626 5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.391 2.006 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.036 0.847 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.131 2.585 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.912 0.939 7.451 1.00 0.00 H new ATOM 643 N ALA A 57 -12.660 4.685 3.309 1.00 0.00 N ATOM 644 CA ALA A 57 -12.435 6.022 2.760 1.00 0.00 C ATOM 645 C ALA A 57 -11.148 6.649 3.291 1.00 0.00 C ATOM 646 O ALA A 57 -11.059 7.867 3.446 1.00 0.00 O ATOM 647 CB ALA A 57 -13.623 6.920 3.068 1.00 0.00 C ATOM 0 H ALA A 57 -13.011 4.010 2.629 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.327 5.920 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.445 7.913 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.524 6.498 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.753 6.994 4.148 1.00 0.00 H new ATOM 653 N GLY A 58 -10.153 5.812 3.558 1.00 0.00 N ATOM 654 CA GLY A 58 -8.883 6.307 4.058 1.00 0.00 C ATOM 655 C GLY A 58 -7.829 6.366 2.969 1.00 0.00 C ATOM 656 O GLY A 58 -8.150 6.227 1.789 1.00 0.00 O ATOM 0 H GLY A 58 -10.202 4.800 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.023 7.301 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.535 5.663 4.865 1.00 0.00 H new ATOM 660 N PRO A 59 -6.552 6.567 3.330 1.00 0.00 N ATOM 661 CA PRO A 59 -5.463 6.635 2.352 1.00 0.00 C ATOM 662 C PRO A 59 -5.367 5.357 1.524 1.00 0.00 C ATOM 663 O PRO A 59 -5.032 5.395 0.340 1.00 0.00 O ATOM 664 CB PRO A 59 -4.204 6.821 3.211 1.00 0.00 C ATOM 665 CG PRO A 59 -4.603 6.425 4.592 1.00 0.00 C ATOM 666 CD PRO A 59 -6.068 6.739 4.707 1.00 0.00 C ATOM 0 HA PRO A 59 -5.610 7.439 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.385 6.201 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.859 7.855 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.417 5.365 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.027 6.974 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.572 6.065 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.236 7.753 5.070 1.00 0.00 H new ATOM 674 N GLY A 60 -5.672 4.228 2.155 1.00 0.00 N ATOM 675 CA GLY A 60 -5.623 2.953 1.464 1.00 0.00 C ATOM 676 C GLY A 60 -6.759 2.788 0.473 1.00 0.00 C ATOM 677 O GLY A 60 -6.546 2.354 -0.661 1.00 0.00 O ATOM 0 H GLY A 60 -5.953 4.173 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.671 2.863 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.662 2.145 2.195 1.00 0.00 H new ATOM 681 N ASP A 61 -7.968 3.148 0.895 1.00 0.00 N ATOM 682 CA ASP A 61 -9.136 3.047 0.033 1.00 0.00 C ATOM 683 C ASP A 61 -9.078 4.116 -1.046 1.00 0.00 C ATOM 684 O ASP A 61 -9.534 3.907 -2.171 1.00 0.00 O ATOM 685 CB ASP A 61 -10.421 3.196 0.852 1.00 0.00 C ATOM 686 CG ASP A 61 -11.601 2.493 0.211 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.733 2.566 -1.029 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.395 1.871 0.948 1.00 0.00 O ATOM 0 H ASP A 61 -8.162 3.512 1.828 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.138 2.064 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.260 2.792 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.653 4.255 0.970 1.00 0.00 H new ATOM 693 N LEU A 62 -8.504 5.260 -0.693 1.00 0.00 N ATOM 694 CA LEU A 62 -8.371 6.363 -1.629 1.00 0.00 C ATOM 695 C LEU A 62 -7.313 6.045 -2.680 1.00 0.00 C ATOM 696 O LEU A 62 -7.387 6.517 -3.814 1.00 0.00 O ATOM 697 CB LEU A 62 -8.004 7.651 -0.888 1.00 0.00 C ATOM 698 CG LEU A 62 -9.151 8.302 -0.114 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.613 9.303 0.897 1.00 0.00 C ATOM 700 CD2 LEU A 62 -10.123 8.976 -1.070 1.00 0.00 C ATOM 0 H LEU A 62 -8.124 5.445 0.235 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.329 6.507 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.194 7.433 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.619 8.371 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.687 7.523 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.444 9.756 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.957 8.792 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.052 10.080 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.933 9.434 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.600 9.744 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.534 8.234 -1.754 1.00 0.00 H new ATOM 712 N GLY A 63 -6.330 5.236 -2.293 1.00 0.00 N ATOM 713 CA GLY A 63 -5.272 4.861 -3.211 1.00 0.00 C ATOM 714 C GLY A 63 -5.748 3.890 -4.272 1.00 0.00 C ATOM 715 O GLY A 63 -5.650 4.168 -5.466 1.00 0.00 O ATOM 0 H GLY A 63 -6.249 4.834 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.877 5.756 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.452 4.411 -2.652 1.00 0.00 H new ATOM 719 N GLY A 64 -6.270 2.745 -3.837 1.00 0.00 N ATOM 720 CA GLY A 64 -6.757 1.755 -4.778 1.00 0.00 C ATOM 721 C GLY A 64 -6.558 0.329 -4.298 1.00 0.00 C ATOM 722 O GLY A 64 -7.231 -0.586 -4.772 1.00 0.00 O ATOM 0 H GLY A 64 -6.363 2.488 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.818 1.926 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.245 1.886 -5.731 1.00 0.00 H new ATOM 726 N LEU A 65 -5.635 0.133 -3.363 1.00 0.00 N ATOM 727 CA LEU A 65 -5.362 -1.201 -2.839 1.00 0.00 C ATOM 728 C LEU A 65 -6.480 -1.663 -1.912 1.00 0.00 C ATOM 729 O LEU A 65 -6.936 -0.914 -1.048 1.00 0.00 O ATOM 730 CB LEU A 65 -4.019 -1.234 -2.102 1.00 0.00 C ATOM 731 CG LEU A 65 -3.822 -0.151 -1.038 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.306 -0.643 0.317 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.358 0.264 -0.966 1.00 0.00 C ATOM 0 H LEU A 65 -5.067 0.875 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.311 -1.885 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.909 -2.209 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.219 -1.146 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.413 0.721 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.159 0.139 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.366 -0.892 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.741 -1.530 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.235 1.035 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.747 -0.601 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.043 0.656 -1.933 1.00 0.00 H new ATOM 745 N LYS A 66 -6.917 -2.902 -2.102 1.00 0.00 N ATOM 746 CA LYS A 66 -7.984 -3.478 -1.291 1.00 0.00 C ATOM 747 C LYS A 66 -7.493 -4.732 -0.568 1.00 0.00 C ATOM 748 O LYS A 66 -6.421 -5.251 -0.878 1.00 0.00 O ATOM 749 CB LYS A 66 -9.187 -3.815 -2.175 1.00 0.00 C ATOM 750 CG LYS A 66 -10.096 -2.625 -2.438 1.00 0.00 C ATOM 751 CD LYS A 66 -11.563 -3.024 -2.405 1.00 0.00 C ATOM 752 CE LYS A 66 -12.468 -1.843 -2.722 1.00 0.00 C ATOM 753 NZ LYS A 66 -13.642 -2.247 -3.545 1.00 0.00 N ATOM 0 H LYS A 66 -6.547 -3.531 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.286 -2.746 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.830 -4.207 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.766 -4.607 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.911 -1.853 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.858 -2.192 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.740 -3.823 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.811 -3.421 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.815 -1.392 -1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.898 -1.081 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.233 -1.414 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.312 -2.654 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.201 -2.955 -3.028 1.00 0.00 H new ATOM 767 N PRO A 67 -8.265 -5.238 0.411 1.00 0.00 N ATOM 768 CA PRO A 67 -7.892 -6.436 1.170 1.00 0.00 C ATOM 769 C PRO A 67 -7.335 -7.545 0.280 1.00 0.00 C ATOM 770 O PRO A 67 -7.757 -7.697 -0.867 1.00 0.00 O ATOM 771 CB PRO A 67 -9.212 -6.861 1.806 1.00 0.00 C ATOM 772 CG PRO A 67 -9.955 -5.586 2.003 1.00 0.00 C ATOM 773 CD PRO A 67 -9.563 -4.686 0.858 1.00 0.00 C ATOM 0 HA PRO A 67 -7.097 -6.238 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.762 -7.546 1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.049 -7.377 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.031 -5.760 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.700 -5.131 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.304 -4.707 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.469 -3.648 1.178 1.00 0.00 H new ATOM 781 N TYR A 68 -6.379 -8.304 0.821 1.00 0.00 N ATOM 782 CA TYR A 68 -5.733 -9.410 0.100 1.00 0.00 C ATOM 783 C TYR A 68 -4.599 -8.913 -0.797 1.00 0.00 C ATOM 784 O TYR A 68 -3.828 -9.710 -1.331 1.00 0.00 O ATOM 785 CB TYR A 68 -6.741 -10.222 -0.724 1.00 0.00 C ATOM 786 CG TYR A 68 -7.334 -11.386 0.034 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.517 -12.309 0.672 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.709 -11.560 0.114 1.00 0.00 C ATOM 789 CE1 TYR A 68 -7.053 -13.375 1.369 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.254 -12.622 0.808 1.00 0.00 C ATOM 791 CZ TYR A 68 -8.422 -13.526 1.434 1.00 0.00 C ATOM 792 OH TYR A 68 -8.962 -14.586 2.127 1.00 0.00 O ATOM 0 H TYR A 68 -6.029 -8.172 1.770 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.308 -10.067 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.545 -9.564 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.249 -10.595 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.444 -12.192 0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.363 -10.853 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.404 -14.085 1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.326 -12.744 0.860 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.940 -14.546 2.076 1.00 0.00 H new ATOM 802 N ASP A 69 -4.500 -7.594 -0.957 1.00 0.00 N ATOM 803 CA ASP A 69 -3.459 -6.989 -1.780 1.00 0.00 C ATOM 804 C ASP A 69 -2.080 -7.453 -1.335 1.00 0.00 C ATOM 805 O ASP A 69 -1.427 -6.805 -0.518 1.00 0.00 O ATOM 806 CB ASP A 69 -3.550 -5.464 -1.713 1.00 0.00 C ATOM 807 CG ASP A 69 -4.494 -4.895 -2.753 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.459 -5.594 -3.124 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.265 -3.751 -3.197 1.00 0.00 O ATOM 0 H ASP A 69 -5.133 -6.922 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.611 -7.307 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.886 -5.166 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.557 -5.037 -1.855 1.00 0.00 H new ATOM 814 N ARG A 70 -1.647 -8.580 -1.878 1.00 0.00 N ATOM 815 CA ARG A 70 -0.350 -9.142 -1.541 1.00 0.00 C ATOM 816 C ARG A 70 0.775 -8.242 -2.044 1.00 0.00 C ATOM 817 O ARG A 70 1.154 -8.298 -3.214 1.00 0.00 O ATOM 818 CB ARG A 70 -0.232 -10.538 -2.144 1.00 0.00 C ATOM 819 CG ARG A 70 1.133 -11.179 -1.953 1.00 0.00 C ATOM 820 CD ARG A 70 1.089 -12.674 -2.223 1.00 0.00 C ATOM 821 NE ARG A 70 0.538 -12.976 -3.542 1.00 0.00 N ATOM 822 CZ ARG A 70 0.678 -14.150 -4.153 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.353 -15.133 -3.570 1.00 0.00 N ATOM 824 NH2 ARG A 70 0.141 -14.343 -5.350 1.00 0.00 N ATOM 0 H ARG A 70 -2.178 -9.125 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.262 -9.211 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.990 -11.181 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.450 -10.482 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.854 -10.709 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.480 -11.002 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.095 -13.086 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.486 -13.163 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 70 0.015 -12.244 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.768 -14.991 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.457 -16.031 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.379 -13.592 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.248 -15.243 -5.818 1.00 0.00 H new ATOM 838 N LEU A 71 1.299 -7.408 -1.150 1.00 0.00 N ATOM 839 CA LEU A 71 2.375 -6.486 -1.497 1.00 0.00 C ATOM 840 C LEU A 71 3.567 -7.230 -2.087 1.00 0.00 C ATOM 841 O LEU A 71 4.299 -7.917 -1.375 1.00 0.00 O ATOM 842 CB LEU A 71 2.813 -5.698 -0.262 1.00 0.00 C ATOM 843 CG LEU A 71 1.728 -4.816 0.361 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.774 -4.904 1.879 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.885 -3.373 -0.098 1.00 0.00 C ATOM 0 H LEU A 71 0.995 -7.352 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 71 1.997 -5.794 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.166 -6.401 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.661 -5.069 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 71 0.756 -5.178 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.995 -4.270 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.611 -5.936 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.749 -4.568 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.105 -2.760 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.863 -2.999 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.800 -3.325 -1.184 1.00 0.00 H new ATOM 857 N LEU A 72 3.758 -7.085 -3.394 1.00 0.00 N ATOM 858 CA LEU A 72 4.863 -7.740 -4.078 1.00 0.00 C ATOM 859 C LEU A 72 6.143 -6.917 -3.968 1.00 0.00 C ATOM 860 O LEU A 72 7.112 -7.343 -3.341 1.00 0.00 O ATOM 861 CB LEU A 72 4.518 -7.974 -5.552 1.00 0.00 C ATOM 862 CG LEU A 72 3.172 -8.659 -5.814 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.041 -9.011 -7.287 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.011 -9.905 -4.952 1.00 0.00 C ATOM 0 H LEU A 72 3.162 -6.520 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 72 5.030 -8.703 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.522 -7.012 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.307 -8.578 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 72 2.378 -7.962 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.081 -9.497 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.101 -8.102 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.847 -9.687 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.047 -10.369 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.810 -10.611 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.061 -9.628 -3.899 1.00 0.00 H new ATOM 876 N GLN A 73 6.141 -5.740 -4.585 1.00 0.00 N ATOM 877 CA GLN A 73 7.306 -4.862 -4.557 1.00 0.00 C ATOM 878 C GLN A 73 6.949 -3.497 -3.976 1.00 0.00 C ATOM 879 O GLN A 73 5.875 -2.958 -4.244 1.00 0.00 O ATOM 880 CB GLN A 73 7.877 -4.695 -5.965 1.00 0.00 C ATOM 881 CG GLN A 73 6.820 -4.416 -7.022 1.00 0.00 C ATOM 882 CD GLN A 73 7.399 -4.352 -8.422 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.142 -5.224 -9.252 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.185 -3.316 -8.692 1.00 0.00 N ATOM 0 H GLN A 73 5.347 -5.372 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 73 8.059 -5.322 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.599 -3.878 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.421 -5.600 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.058 -5.194 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.324 -3.473 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.371 -2.616 -7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.602 -3.220 -9.618 1.00 0.00 H new ATOM 893 N VAL A 74 7.859 -2.944 -3.182 1.00 0.00 N ATOM 894 CA VAL A 74 7.643 -1.642 -2.562 1.00 0.00 C ATOM 895 C VAL A 74 8.778 -0.680 -2.898 1.00 0.00 C ATOM 896 O VAL A 74 9.915 -0.871 -2.462 1.00 0.00 O ATOM 897 CB VAL A 74 7.523 -1.765 -1.031 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.187 -0.419 -0.406 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.477 -2.807 -0.661 1.00 0.00 C ATOM 0 H VAL A 74 8.753 -3.377 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 74 6.708 -1.249 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 74 8.486 -2.090 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.107 -0.530 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.974 0.298 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.239 -0.059 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.405 -2.881 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.510 -2.513 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.766 -3.774 -1.072 1.00 0.00 H new ATOM 909 N ASN A 75 8.464 0.353 -3.673 1.00 0.00 N ATOM 910 CA ASN A 75 9.456 1.348 -4.069 1.00 0.00 C ATOM 911 C ASN A 75 10.536 0.722 -4.945 1.00 0.00 C ATOM 912 O ASN A 75 11.698 1.126 -4.894 1.00 0.00 O ATOM 913 CB ASN A 75 10.090 1.994 -2.835 1.00 0.00 C ATOM 914 CG ASN A 75 9.076 2.715 -1.973 1.00 0.00 C ATOM 915 OD1 ASN A 75 8.114 2.117 -1.489 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.283 4.013 -1.775 1.00 0.00 N ATOM 0 H ASN A 75 7.528 0.524 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 75 8.947 2.119 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.586 1.226 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.859 2.698 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.632 4.552 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.093 4.470 -2.194 1.00 0.00 H new ATOM 923 N HIS A 76 10.139 -0.267 -5.748 1.00 0.00 N ATOM 924 CA HIS A 76 11.059 -0.967 -6.650 1.00 0.00 C ATOM 925 C HIS A 76 11.757 -2.132 -5.949 1.00 0.00 C ATOM 926 O HIS A 76 12.346 -2.993 -6.602 1.00 0.00 O ATOM 927 CB HIS A 76 12.104 -0.006 -7.231 1.00 0.00 C ATOM 928 CG HIS A 76 12.438 -0.281 -8.664 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.387 -1.203 -9.053 1.00 0.00 N ATOM 930 CD2 HIS A 76 11.945 0.253 -9.807 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.463 -1.225 -10.371 1.00 0.00 C ATOM 932 NE2 HIS A 76 12.597 -0.351 -10.852 1.00 0.00 N ATOM 0 H HIS A 76 9.177 -0.604 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 76 10.459 -1.368 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.735 1.016 -7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.015 -0.069 -6.635 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.181 1.013 -9.882 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.121 -1.851 -10.956 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.439 -0.157 -11.841 1.00 0.00 H new ATOM 941 N VAL A 77 11.690 -2.160 -4.620 1.00 0.00 N ATOM 942 CA VAL A 77 12.317 -3.226 -3.848 1.00 0.00 C ATOM 943 C VAL A 77 11.415 -4.453 -3.775 1.00 0.00 C ATOM 944 O VAL A 77 10.202 -4.335 -3.596 1.00 0.00 O ATOM 945 CB VAL A 77 12.653 -2.765 -2.417 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.429 -3.842 -1.673 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.435 -1.461 -2.446 1.00 0.00 C ATOM 0 H VAL A 77 11.209 -1.458 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 77 13.242 -3.486 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 77 11.718 -2.592 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.656 -3.496 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.829 -4.750 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.358 -4.052 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.663 -1.151 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.364 -1.606 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.839 -0.690 -2.935 1.00 0.00 H new ATOM 957 N ARG A 78 12.015 -5.631 -3.913 1.00 0.00 N ATOM 958 CA ARG A 78 11.265 -6.879 -3.861 1.00 0.00 C ATOM 959 C ARG A 78 10.755 -7.143 -2.447 1.00 0.00 C ATOM 960 O ARG A 78 11.511 -7.059 -1.480 1.00 0.00 O ATOM 961 CB ARG A 78 12.141 -8.045 -4.326 1.00 0.00 C ATOM 962 CG ARG A 78 12.543 -7.956 -5.789 1.00 0.00 C ATOM 963 CD ARG A 78 13.965 -7.444 -5.947 1.00 0.00 C ATOM 964 NE ARG A 78 14.406 -7.469 -7.341 1.00 0.00 N ATOM 965 CZ ARG A 78 15.662 -7.257 -7.725 1.00 0.00 C ATOM 966 NH1 ARG A 78 16.606 -7.005 -6.827 1.00 0.00 N ATOM 967 NH2 ARG A 78 15.977 -7.301 -9.013 1.00 0.00 N ATOM 0 H ARG A 78 13.017 -5.747 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 78 10.408 -6.790 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.041 -8.080 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.605 -8.980 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.456 -8.939 -6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.856 -7.294 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.028 -6.425 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.638 -8.052 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 78 13.710 -7.660 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.371 -6.973 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.567 -6.843 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.256 -7.497 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.940 -7.139 -9.308 1.00 0.00 H new ATOM 981 N THR A 79 9.470 -7.460 -2.335 1.00 0.00 N ATOM 982 CA THR A 79 8.863 -7.732 -1.038 1.00 0.00 C ATOM 983 C THR A 79 7.810 -8.832 -1.145 1.00 0.00 C ATOM 984 O THR A 79 6.863 -8.875 -0.361 1.00 0.00 O ATOM 985 CB THR A 79 8.233 -6.461 -0.469 1.00 0.00 C ATOM 986 OG1 THR A 79 7.082 -6.094 -1.208 1.00 0.00 O ATOM 987 CG2 THR A 79 9.175 -5.276 -0.467 1.00 0.00 C ATOM 0 H THR A 79 8.830 -7.535 -3.125 1.00 0.00 H new ATOM 0 HA THR A 79 9.649 -8.073 -0.364 1.00 0.00 H new ATOM 0 HB THR A 79 7.977 -6.704 0.562 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.313 -6.018 -2.157 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.666 -4.407 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.051 -5.508 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.488 -5.058 -1.488 1.00 0.00 H new ATOM 995 N ARG A 80 7.985 -9.724 -2.116 1.00 0.00 N ATOM 996 CA ARG A 80 7.052 -10.824 -2.316 1.00 0.00 C ATOM 997 C ARG A 80 7.378 -11.982 -1.379 1.00 0.00 C ATOM 998 O ARG A 80 6.483 -12.586 -0.786 1.00 0.00 O ATOM 999 CB ARG A 80 7.091 -11.300 -3.771 1.00 0.00 C ATOM 1000 CG ARG A 80 6.563 -10.277 -4.763 1.00 0.00 C ATOM 1001 CD ARG A 80 7.251 -10.400 -6.113 1.00 0.00 C ATOM 1002 NE ARG A 80 7.361 -11.791 -6.549 1.00 0.00 N ATOM 1003 CZ ARG A 80 8.216 -12.211 -7.478 1.00 0.00 C ATOM 1004 NH1 ARG A 80 9.035 -11.353 -8.073 1.00 0.00 N ATOM 1005 NH2 ARG A 80 8.252 -13.494 -7.813 1.00 0.00 N ATOM 0 H ARG A 80 8.764 -9.705 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 80 6.048 -10.465 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.118 -11.552 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.506 -12.215 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.489 -10.411 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.715 -9.273 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.694 -9.830 -6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.246 -9.959 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 80 6.746 -12.480 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.011 -10.365 -7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.688 -11.681 -8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.625 -14.158 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.907 -13.817 -8.525 1.00 0.00 H new ATOM 1019 N ASP A 81 8.667 -12.283 -1.244 1.00 0.00 N ATOM 1020 CA ASP A 81 9.114 -13.364 -0.372 1.00 0.00 C ATOM 1021 C ASP A 81 9.409 -12.847 1.036 1.00 0.00 C ATOM 1022 O ASP A 81 9.974 -13.563 1.863 1.00 0.00 O ATOM 1023 CB ASP A 81 10.361 -14.034 -0.955 1.00 0.00 C ATOM 1024 CG ASP A 81 10.044 -15.345 -1.647 1.00 0.00 C ATOM 1025 OD1 ASP A 81 9.361 -16.191 -1.033 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.479 -15.526 -2.804 1.00 0.00 O ATOM 0 H ASP A 81 9.420 -11.793 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 81 8.311 -14.098 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.835 -13.357 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.081 -14.213 -0.156 1.00 0.00 H new ATOM 1031 N PHE A 82 9.023 -11.600 1.303 1.00 0.00 N ATOM 1032 CA PHE A 82 9.245 -10.987 2.602 1.00 0.00 C ATOM 1033 C PHE A 82 8.187 -11.440 3.604 1.00 0.00 C ATOM 1034 O PHE A 82 7.330 -12.265 3.290 1.00 0.00 O ATOM 1035 CB PHE A 82 9.203 -9.465 2.469 1.00 0.00 C ATOM 1036 CG PHE A 82 10.473 -8.860 1.942 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.187 -9.475 0.927 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.949 -7.668 2.462 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.351 -8.912 0.439 1.00 0.00 C ATOM 1040 CE2 PHE A 82 12.112 -7.099 1.978 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.814 -7.722 0.965 1.00 0.00 C ATOM 0 H PHE A 82 8.553 -10.995 0.629 1.00 0.00 H new ATOM 0 HA PHE A 82 10.224 -11.298 2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.381 -9.191 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.984 -9.032 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.830 -10.406 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.405 -7.177 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.898 -9.402 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.471 -6.168 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.723 -7.280 0.585 1.00 0.00 H new ATOM 1051 N ASP A 83 8.251 -10.883 4.807 1.00 0.00 N ATOM 1052 CA ASP A 83 7.298 -11.213 5.859 1.00 0.00 C ATOM 1053 C ASP A 83 6.695 -9.942 6.444 1.00 0.00 C ATOM 1054 O ASP A 83 7.164 -8.839 6.164 1.00 0.00 O ATOM 1055 CB ASP A 83 7.978 -12.027 6.961 1.00 0.00 C ATOM 1056 CG ASP A 83 8.069 -13.502 6.620 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.014 -14.116 6.360 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.194 -14.041 6.614 1.00 0.00 O ATOM 0 H ASP A 83 8.956 -10.198 5.079 1.00 0.00 H new ATOM 0 HA ASP A 83 6.499 -11.814 5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.980 -11.634 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.424 -11.906 7.892 1.00 0.00 H new ATOM 1063 N CYS A 84 5.654 -10.097 7.256 1.00 0.00 N ATOM 1064 CA CYS A 84 4.995 -8.951 7.875 1.00 0.00 C ATOM 1065 C CYS A 84 6.014 -8.049 8.565 1.00 0.00 C ATOM 1066 O CYS A 84 5.977 -6.829 8.415 1.00 0.00 O ATOM 1067 CB CYS A 84 3.942 -9.419 8.881 1.00 0.00 C ATOM 1068 SG CYS A 84 3.055 -8.076 9.704 1.00 0.00 S ATOM 0 H CYS A 84 5.249 -11.001 7.500 1.00 0.00 H new ATOM 0 HA CYS A 84 4.502 -8.379 7.090 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.221 -10.054 8.366 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.427 -10.036 9.637 1.00 0.00 H new ATOM 0 HG CYS A 84 2.186 -8.574 10.533 1.00 0.00 H new ATOM 1074 N CYS A 85 6.926 -8.656 9.316 1.00 0.00 N ATOM 1075 CA CYS A 85 7.955 -7.906 10.016 1.00 0.00 C ATOM 1076 C CYS A 85 8.872 -7.179 9.032 1.00 0.00 C ATOM 1077 O CYS A 85 9.578 -6.242 9.403 1.00 0.00 O ATOM 1078 CB CYS A 85 8.780 -8.837 10.907 1.00 0.00 C ATOM 1079 SG CYS A 85 9.251 -8.114 12.495 1.00 0.00 S ATOM 0 H CYS A 85 6.971 -9.666 9.454 1.00 0.00 H new ATOM 0 HA CYS A 85 7.461 -7.161 10.639 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.209 -9.747 11.090 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.683 -9.129 10.371 1.00 0.00 H new ATOM 0 HG CYS A 85 9.943 -8.978 13.177 1.00 0.00 H new ATOM 1085 N LEU A 86 8.854 -7.620 7.777 1.00 0.00 N ATOM 1086 CA LEU A 86 9.678 -7.020 6.734 1.00 0.00 C ATOM 1087 C LEU A 86 8.891 -5.975 5.947 1.00 0.00 C ATOM 1088 O LEU A 86 9.423 -4.928 5.563 1.00 0.00 O ATOM 1089 CB LEU A 86 10.180 -8.105 5.782 1.00 0.00 C ATOM 1090 CG LEU A 86 11.664 -8.021 5.425 1.00 0.00 C ATOM 1091 CD1 LEU A 86 12.055 -6.596 5.062 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.516 -8.541 6.570 1.00 0.00 C ATOM 0 H LEU A 86 8.274 -8.396 7.457 1.00 0.00 H new ATOM 0 HA LEU A 86 10.525 -6.528 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.985 -9.079 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.598 -8.056 4.862 1.00 0.00 H new ATOM 0 HG LEU A 86 11.842 -8.649 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.115 -6.562 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.469 -6.265 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.861 -5.938 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.570 -8.474 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.332 -7.942 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.259 -9.581 6.772 1.00 0.00 H new ATOM 1104 N VAL A 87 7.618 -6.269 5.714 1.00 0.00 N ATOM 1105 CA VAL A 87 6.748 -5.372 4.974 1.00 0.00 C ATOM 1106 C VAL A 87 6.294 -4.198 5.833 1.00 0.00 C ATOM 1107 O VAL A 87 6.140 -3.083 5.337 1.00 0.00 O ATOM 1108 CB VAL A 87 5.516 -6.121 4.427 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.652 -5.195 3.585 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.953 -7.334 3.618 1.00 0.00 C ATOM 0 H VAL A 87 7.166 -7.127 6.030 1.00 0.00 H new ATOM 0 HA VAL A 87 7.328 -4.984 4.137 1.00 0.00 H new ATOM 0 HB VAL A 87 4.918 -6.465 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.789 -5.744 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.312 -4.359 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.235 -4.817 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.074 -7.854 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.573 -7.010 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.526 -8.008 4.254 1.00 0.00 H new ATOM 1120 N VAL A 88 6.076 -4.447 7.122 1.00 0.00 N ATOM 1121 CA VAL A 88 5.636 -3.389 8.024 1.00 0.00 C ATOM 1122 C VAL A 88 6.632 -2.228 8.022 1.00 0.00 C ATOM 1123 O VAL A 88 6.246 -1.077 7.813 1.00 0.00 O ATOM 1124 CB VAL A 88 5.428 -3.905 9.468 1.00 0.00 C ATOM 1125 CG1 VAL A 88 5.082 -2.760 10.408 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.341 -4.968 9.497 1.00 0.00 C ATOM 0 H VAL A 88 6.195 -5.360 7.560 1.00 0.00 H new ATOM 0 HA VAL A 88 4.673 -3.036 7.655 1.00 0.00 H new ATOM 0 HB VAL A 88 6.361 -4.352 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.940 -3.148 11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.894 -2.032 10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.164 -2.278 10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.205 -5.322 10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.406 -4.542 9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.632 -5.803 8.859 1.00 0.00 H new ATOM 1136 N PRO A 89 7.932 -2.509 8.235 1.00 0.00 N ATOM 1137 CA PRO A 89 8.966 -1.473 8.230 1.00 0.00 C ATOM 1138 C PRO A 89 9.118 -0.854 6.847 1.00 0.00 C ATOM 1139 O PRO A 89 9.208 0.367 6.710 1.00 0.00 O ATOM 1140 CB PRO A 89 10.247 -2.217 8.630 1.00 0.00 C ATOM 1141 CG PRO A 89 9.789 -3.524 9.182 1.00 0.00 C ATOM 1142 CD PRO A 89 8.502 -3.840 8.477 1.00 0.00 C ATOM 0 HA PRO A 89 8.727 -0.650 8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.902 -2.361 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.813 -1.654 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.531 -4.303 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.639 -3.462 10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.672 -4.383 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.845 -4.457 9.090 1.00 0.00 H new ATOM 1150 N LEU A 90 9.138 -1.702 5.819 1.00 0.00 N ATOM 1151 CA LEU A 90 9.267 -1.228 4.448 1.00 0.00 C ATOM 1152 C LEU A 90 8.186 -0.199 4.134 1.00 0.00 C ATOM 1153 O LEU A 90 8.400 0.728 3.354 1.00 0.00 O ATOM 1154 CB LEU A 90 9.170 -2.398 3.468 1.00 0.00 C ATOM 1155 CG LEU A 90 10.411 -3.285 3.390 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.091 -4.578 2.658 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.551 -2.548 2.704 1.00 0.00 C ATOM 0 H LEU A 90 9.067 -2.715 5.912 1.00 0.00 H new ATOM 0 HA LEU A 90 10.244 -0.756 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.318 -3.017 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.963 -2.002 2.474 1.00 0.00 H new ATOM 0 HG LEU A 90 10.726 -3.532 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.985 -5.200 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.305 -5.113 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.753 -4.350 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.427 -3.195 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.250 -2.272 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.795 -1.648 3.269 1.00 0.00 H new ATOM 1169 N ILE A 91 7.025 -0.370 4.759 1.00 0.00 N ATOM 1170 CA ILE A 91 5.904 0.538 4.561 1.00 0.00 C ATOM 1171 C ILE A 91 6.162 1.870 5.264 1.00 0.00 C ATOM 1172 O ILE A 91 6.009 2.937 4.671 1.00 0.00 O ATOM 1173 CB ILE A 91 4.587 -0.085 5.085 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.149 -1.233 4.171 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.482 0.962 5.196 1.00 0.00 C ATOM 1176 CD1 ILE A 91 3.147 -2.168 4.811 1.00 0.00 C ATOM 0 H ILE A 91 6.837 -1.133 5.409 1.00 0.00 H new ATOM 0 HA ILE A 91 5.803 0.715 3.490 1.00 0.00 H new ATOM 0 HB ILE A 91 4.772 -0.478 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.716 -0.817 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.028 -1.805 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.571 0.492 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.792 1.747 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.292 1.396 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.883 -2.956 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.584 -2.613 5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.251 -1.610 5.084 1.00 0.00 H new ATOM 1188 N ALA A 92 6.551 1.795 6.532 1.00 0.00 N ATOM 1189 CA ALA A 92 6.828 2.982 7.320 1.00 0.00 C ATOM 1190 C ALA A 92 8.177 3.604 6.955 1.00 0.00 C ATOM 1191 O ALA A 92 8.554 4.641 7.501 1.00 0.00 O ATOM 1192 CB ALA A 92 6.787 2.650 8.804 1.00 0.00 C ATOM 0 H ALA A 92 6.681 0.917 7.035 1.00 0.00 H new ATOM 0 HA ALA A 92 6.054 3.716 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.996 3.549 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.799 2.272 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.537 1.891 9.028 1.00 0.00 H new ATOM 1198 N GLU A 93 8.907 2.965 6.043 1.00 0.00 N ATOM 1199 CA GLU A 93 10.217 3.462 5.632 1.00 0.00 C ATOM 1200 C GLU A 93 10.122 4.355 4.397 1.00 0.00 C ATOM 1201 O GLU A 93 11.076 5.051 4.053 1.00 0.00 O ATOM 1202 CB GLU A 93 11.167 2.294 5.360 1.00 0.00 C ATOM 1203 CG GLU A 93 12.031 1.926 6.554 1.00 0.00 C ATOM 1204 CD GLU A 93 13.096 0.904 6.210 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.872 1.152 5.263 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.154 -0.144 6.886 1.00 0.00 O ATOM 0 H GLU A 93 8.615 2.106 5.577 1.00 0.00 H new ATOM 0 HA GLU A 93 10.610 4.065 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.583 1.423 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.812 2.549 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.508 2.825 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.397 1.532 7.348 1.00 0.00 H new ATOM 1213 N SER A 94 8.973 4.331 3.736 1.00 0.00 N ATOM 1214 CA SER A 94 8.767 5.143 2.543 1.00 0.00 C ATOM 1215 C SER A 94 8.837 6.625 2.881 1.00 0.00 C ATOM 1216 O SER A 94 9.199 7.451 2.043 1.00 0.00 O ATOM 1217 CB SER A 94 7.423 4.809 1.901 1.00 0.00 C ATOM 1218 OG SER A 94 7.022 3.492 2.234 1.00 0.00 O ATOM 0 H SER A 94 8.171 3.760 4.004 1.00 0.00 H new ATOM 0 HA SER A 94 9.562 4.916 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.668 5.520 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.497 4.909 0.818 1.00 0.00 H new ATOM 0 HG SER A 94 6.539 3.503 3.086 1.00 0.00 H new ATOM 1224 N GLY A 95 8.497 6.947 4.118 1.00 0.00 N ATOM 1225 CA GLY A 95 8.531 8.326 4.567 1.00 0.00 C ATOM 1226 C GLY A 95 7.157 8.966 4.609 1.00 0.00 C ATOM 1227 O GLY A 95 6.752 9.514 5.634 1.00 0.00 O ATOM 0 H GLY A 95 8.196 6.276 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.977 8.369 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.175 8.903 3.904 1.00 0.00 H new ATOM 1231 N ASN A 96 6.440 8.899 3.492 1.00 0.00 N ATOM 1232 CA ASN A 96 5.106 9.477 3.404 1.00 0.00 C ATOM 1233 C ASN A 96 4.384 8.960 2.167 1.00 0.00 C ATOM 1234 O ASN A 96 3.174 8.751 2.183 1.00 0.00 O ATOM 1235 CB ASN A 96 5.189 11.004 3.362 1.00 0.00 C ATOM 1236 CG ASN A 96 5.238 11.620 4.747 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.184 12.330 5.090 1.00 0.00 O ATOM 1238 ND2 ASN A 96 4.218 11.349 5.552 1.00 0.00 N ATOM 0 H ASN A 96 6.762 8.449 2.635 1.00 0.00 H new ATOM 0 HA ASN A 96 4.543 9.180 4.289 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.077 11.301 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.327 11.397 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.197 11.734 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.455 10.756 5.226 1.00 0.00 H new ATOM 1245 N LYS A 97 5.144 8.748 1.098 1.00 0.00 N ATOM 1246 CA LYS A 97 4.593 8.247 -0.147 1.00 0.00 C ATOM 1247 C LYS A 97 4.952 6.780 -0.329 1.00 0.00 C ATOM 1248 O LYS A 97 6.111 6.442 -0.574 1.00 0.00 O ATOM 1249 CB LYS A 97 5.119 9.068 -1.322 1.00 0.00 C ATOM 1250 CG LYS A 97 4.063 9.354 -2.368 1.00 0.00 C ATOM 1251 CD LYS A 97 4.415 10.575 -3.199 1.00 0.00 C ATOM 1252 CE LYS A 97 3.745 11.827 -2.654 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.230 13.059 -3.334 1.00 0.00 N ATOM 0 H LYS A 97 6.149 8.918 1.074 1.00 0.00 H new ATOM 0 HA LYS A 97 3.507 8.339 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.517 10.012 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.948 8.535 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.953 8.488 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.100 9.510 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.496 10.713 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.107 10.415 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.665 11.745 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.936 11.904 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.749 13.889 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.256 13.152 -3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.025 12.998 -4.352 1.00 0.00 H new ATOM 1267 N LEU A 98 3.961 5.910 -0.194 1.00 0.00 N ATOM 1268 CA LEU A 98 4.189 4.480 -0.330 1.00 0.00 C ATOM 1269 C LEU A 98 3.732 3.963 -1.689 1.00 0.00 C ATOM 1270 O LEU A 98 2.554 3.666 -1.886 1.00 0.00 O ATOM 1271 CB LEU A 98 3.464 3.720 0.786 1.00 0.00 C ATOM 1272 CG LEU A 98 4.327 2.736 1.583 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.442 1.734 2.300 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.313 2.016 0.672 1.00 0.00 C ATOM 0 H LEU A 98 2.995 6.169 0.009 1.00 0.00 H new ATOM 0 HA LEU A 98 5.262 4.309 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.038 4.446 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.631 3.172 0.346 1.00 0.00 H new ATOM 0 HG LEU A 98 4.898 3.298 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.063 1.038 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.775 2.261 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.851 1.182 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.914 1.323 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.766 1.463 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.966 2.746 0.193 1.00 0.00 H new ATOM 1286 N ASP A 99 4.676 3.837 -2.616 1.00 0.00 N ATOM 1287 CA ASP A 99 4.376 3.329 -3.949 1.00 0.00 C ATOM 1288 C ASP A 99 4.781 1.864 -4.037 1.00 0.00 C ATOM 1289 O ASP A 99 5.951 1.526 -3.865 1.00 0.00 O ATOM 1290 CB ASP A 99 5.112 4.145 -5.013 1.00 0.00 C ATOM 1291 CG ASP A 99 4.784 3.687 -6.420 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.965 2.487 -6.712 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.346 4.530 -7.232 1.00 0.00 O ATOM 0 H ASP A 99 5.656 4.080 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 99 3.305 3.419 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.850 5.198 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.187 4.066 -4.849 1.00 0.00 H new ATOM 1298 N LEU A 100 3.810 0.991 -4.284 1.00 0.00 N ATOM 1299 CA LEU A 100 4.090 -0.437 -4.363 1.00 0.00 C ATOM 1300 C LEU A 100 3.170 -1.152 -5.347 1.00 0.00 C ATOM 1301 O LEU A 100 2.087 -0.668 -5.675 1.00 0.00 O ATOM 1302 CB LEU A 100 3.943 -1.071 -2.977 1.00 0.00 C ATOM 1303 CG LEU A 100 2.760 -0.557 -2.152 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.492 -1.315 -2.511 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.053 -0.680 -0.665 1.00 0.00 C ATOM 0 H LEU A 100 2.833 1.244 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 100 5.113 -0.548 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.842 -2.150 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.861 -0.897 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 100 2.609 0.497 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.661 -0.937 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.272 -1.176 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.632 -2.376 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.201 -0.310 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.231 -1.726 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.937 -0.093 -0.419 1.00 0.00 H new ATOM 1317 N VAL A 101 3.611 -2.326 -5.796 1.00 0.00 N ATOM 1318 CA VAL A 101 2.839 -3.143 -6.723 1.00 0.00 C ATOM 1319 C VAL A 101 2.351 -4.404 -6.024 1.00 0.00 C ATOM 1320 O VAL A 101 3.141 -5.293 -5.705 1.00 0.00 O ATOM 1321 CB VAL A 101 3.672 -3.542 -7.957 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.785 -4.178 -9.018 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.407 -2.334 -8.521 1.00 0.00 C ATOM 0 H VAL A 101 4.507 -2.733 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 101 1.990 -2.547 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 101 4.414 -4.278 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.391 -4.453 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.311 -5.070 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.018 -3.467 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.989 -2.636 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.684 -1.573 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.074 -1.927 -7.761 1.00 0.00 H new ATOM 1333 N ILE A 102 1.050 -4.470 -5.774 1.00 0.00 N ATOM 1334 CA ILE A 102 0.461 -5.616 -5.095 1.00 0.00 C ATOM 1335 C ILE A 102 -0.280 -6.521 -6.073 1.00 0.00 C ATOM 1336 O ILE A 102 -0.506 -6.155 -7.225 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.525 -5.161 -3.999 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.693 -4.400 -4.629 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.183 -4.297 -2.961 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.806 -5.301 -5.118 1.00 0.00 C ATOM 0 H ILE A 102 0.382 -3.743 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 102 1.282 -6.172 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.915 -6.044 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.097 -3.700 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.322 -3.808 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.531 -3.987 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.985 -4.870 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.601 -3.415 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.601 -4.695 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.416 -5.984 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.204 -5.875 -4.281 1.00 0.00 H new ATOM 1352 N SER A 103 -0.668 -7.699 -5.594 1.00 0.00 N ATOM 1353 CA SER A 103 -1.400 -8.659 -6.412 1.00 0.00 C ATOM 1354 C SER A 103 -2.444 -9.387 -5.569 1.00 0.00 C ATOM 1355 O SER A 103 -2.120 -9.964 -4.532 1.00 0.00 O ATOM 1356 CB SER A 103 -0.441 -9.667 -7.044 1.00 0.00 C ATOM 1357 OG SER A 103 0.493 -10.149 -6.093 1.00 0.00 O ATOM 0 H SER A 103 -0.487 -8.012 -4.640 1.00 0.00 H new ATOM 0 HA SER A 103 -1.907 -8.115 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.007 -10.502 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.089 -9.199 -7.873 1.00 0.00 H new ATOM 0 HG SER A 103 0.400 -11.121 -6.007 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.695 -9.348 -6.013 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.775 -10.001 -5.282 1.00 0.00 C ATOM 1365 C ARG A 104 -5.819 -10.581 -6.231 1.00 0.00 C ATOM 1366 O ARG A 104 -6.211 -9.943 -7.209 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.442 -9.010 -4.327 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.904 -7.731 -5.006 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.228 -7.245 -4.441 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.334 -8.134 -4.796 1.00 0.00 N ATOM 1371 CZ ARG A 104 -9.615 -7.777 -4.756 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.959 -6.551 -4.378 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -10.557 -8.646 -5.097 1.00 0.00 N ATOM 0 H ARG A 104 -3.985 -8.875 -6.869 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.340 -10.821 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.299 -9.492 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.742 -8.757 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.147 -6.957 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.006 -7.904 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.155 -7.173 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.435 -6.242 -4.814 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.110 -9.084 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.239 -5.877 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.943 -6.283 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.299 -9.588 -5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.539 -8.372 -5.066 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.270 -11.794 -5.930 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.274 -12.465 -6.745 1.00 0.00 C ATOM 1389 C ASN A 105 -8.585 -11.678 -6.746 1.00 0.00 C ATOM 1390 O ASN A 105 -9.069 -11.267 -5.691 1.00 0.00 O ATOM 1391 CB ASN A 105 -7.521 -13.879 -6.218 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.766 -13.903 -4.722 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -8.899 -13.758 -4.264 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -6.701 -14.087 -3.952 1.00 0.00 N ATOM 0 H ASN A 105 -5.954 -12.334 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.901 -12.522 -7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.380 -14.310 -6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.661 -14.507 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.803 -14.113 -2.937 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.780 -14.203 -4.375 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.181 -11.453 -7.932 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.439 -10.710 -8.051 1.00 0.00 C ATOM 1403 C PRO A 106 -11.633 -11.509 -7.540 1.00 0.00 C ATOM 1404 O PRO A 106 -12.776 -11.164 -7.907 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.564 -10.465 -9.556 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.809 -11.584 -10.183 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.679 -11.904 -9.244 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.416 -12.474 -6.778 1.00 0.00 O ATOM 0 HA PRO A 106 -10.432 -9.797 -7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.607 -10.465 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.145 -9.498 -9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.451 -12.453 -10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.431 -11.297 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.450 -12.970 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.764 -11.382 -9.525 1.00 0.00 H new