USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 165:sc= -1.88 (180deg=0) USER MOD Set 1.2: A 84 MET CE :methyl -149:sc= -5.4 (180deg=-2.53) USER MOD Set 2.1: A 9 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 16 CYS SG : rot 24:sc= -13.2! USER MOD Single : A 1 MET CE :methyl -116:sc= -0.306 (180deg=-1.53) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.75! (180deg=-1.11!) USER MOD Single : A 4 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.2!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.457 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 13 CYS SG : rot 52:sc= -1.17 USER MOD Single : A 15 TYR OH : rot 131:sc= -2.51! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= -0.0129 (180deg=-0.253) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.749 (180deg=-1.04!) USER MOD Single : A 42 MET CE :methyl -136:sc= -0.223 (180deg=-0.991) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= -11.4! (180deg=-15.4!) USER MOD Single : A 51 TYR OH : rot -153:sc= -9.4! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -14.1! C(o=-14!,f=-27!) USER MOD Single : A 72 SER OG : rot -110:sc= -4.59! USER MOD Single : A 81 ASN : amide:sc= -0.822 K(o=-0.82,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.407 -2.498 9.494 1.00 0.00 N ATOM 2 CA MET A 1 -10.972 -1.917 8.192 1.00 0.00 C ATOM 3 C MET A 1 -11.097 -2.961 7.081 1.00 0.00 C ATOM 4 O MET A 1 -10.510 -4.023 7.143 1.00 0.00 O ATOM 5 CB MET A 1 -9.509 -1.526 8.399 1.00 0.00 C ATOM 6 CG MET A 1 -8.629 -2.774 8.312 1.00 0.00 C ATOM 7 SD MET A 1 -9.319 -4.073 9.368 1.00 0.00 S ATOM 8 CE MET A 1 -8.555 -3.534 10.918 1.00 0.00 C ATOM 0 H1 MET A 1 -11.223 -1.816 10.257 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.424 -2.710 9.457 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.877 -3.374 9.677 1.00 0.00 H new ATOM 0 HA MET A 1 -11.582 -1.063 7.897 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.205 -0.801 7.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.384 -1.047 9.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.572 -3.121 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.612 -2.538 8.625 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.865 -4.301 11.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.010 -2.605 10.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.329 -3.371 11.668 1.00 0.00 H new ATOM 20 N VAL A 2 -11.858 -2.666 6.061 1.00 0.00 N ATOM 21 CA VAL A 2 -12.020 -3.643 4.947 1.00 0.00 C ATOM 22 C VAL A 2 -10.815 -3.583 4.013 1.00 0.00 C ATOM 23 O VAL A 2 -9.834 -4.278 4.191 1.00 0.00 O ATOM 24 CB VAL A 2 -13.273 -3.193 4.200 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.321 -1.663 4.163 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.224 -3.733 2.768 1.00 0.00 C ATOM 0 H VAL A 2 -12.373 -1.792 5.952 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.100 -4.666 5.313 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.160 -3.573 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.215 -1.340 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.346 -1.275 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.437 -1.283 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.116 -3.415 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.338 -3.347 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.183 -4.822 2.791 1.00 0.00 H new ATOM 36 N VAL A 3 -10.883 -2.749 3.022 1.00 0.00 N ATOM 37 CA VAL A 3 -9.752 -2.627 2.070 1.00 0.00 C ATOM 38 C VAL A 3 -8.772 -1.543 2.533 1.00 0.00 C ATOM 39 O VAL A 3 -9.059 -0.370 2.463 1.00 0.00 O ATOM 40 CB VAL A 3 -10.421 -2.234 0.752 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.369 -1.789 -0.261 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.181 -3.445 0.204 1.00 0.00 C ATOM 0 H VAL A 3 -11.679 -2.141 2.828 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.169 -3.544 1.985 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.110 -1.407 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.858 -1.512 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.825 -0.930 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.672 -2.607 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.663 -3.177 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.484 -4.265 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.938 -3.756 0.924 1.00 0.00 H new ATOM 52 N ASN A 4 -7.586 -1.921 2.947 1.00 0.00 N ATOM 53 CA ASN A 4 -6.596 -0.880 3.344 1.00 0.00 C ATOM 54 C ASN A 4 -5.313 -1.061 2.519 1.00 0.00 C ATOM 55 O ASN A 4 -4.526 -1.961 2.741 1.00 0.00 O ATOM 56 CB ASN A 4 -6.331 -1.181 4.821 1.00 0.00 C ATOM 57 CG ASN A 4 -7.284 -0.355 5.688 1.00 0.00 C ATOM 58 OD1 ASN A 4 -8.386 -0.052 5.277 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.907 0.013 6.881 1.00 0.00 N ATOM 0 H ASN A 4 -7.268 -2.887 3.025 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.943 0.140 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.472 -2.244 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.297 -0.945 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.538 0.556 7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.981 -0.242 7.225 1.00 0.00 H new ATOM 66 N ILE A 5 -5.090 -0.180 1.598 1.00 0.00 N ATOM 67 CA ILE A 5 -3.871 -0.232 0.754 1.00 0.00 C ATOM 68 C ILE A 5 -3.073 1.058 0.872 1.00 0.00 C ATOM 69 O ILE A 5 -3.615 2.137 0.773 1.00 0.00 O ATOM 70 CB ILE A 5 -4.360 -0.492 -0.663 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.827 -0.919 -0.610 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.530 -1.612 -1.301 1.00 0.00 C ATOM 73 CD1 ILE A 5 -5.929 -2.350 -0.071 1.00 0.00 C ATOM 0 H ILE A 5 -5.717 0.596 1.387 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.187 -1.020 1.069 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.255 0.415 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.391 -0.239 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.268 -0.862 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.884 -1.794 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.481 -1.316 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.634 -2.523 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.976 -2.651 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.380 -3.026 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.504 -2.392 0.932 1.00 0.00 H new ATOM 85 N GLU A 6 -1.779 1.013 0.981 1.00 0.00 N ATOM 86 CA GLU A 6 -1.059 2.294 1.031 1.00 0.00 C ATOM 87 C GLU A 6 0.055 2.277 -0.009 1.00 0.00 C ATOM 88 O GLU A 6 1.034 1.555 0.102 1.00 0.00 O ATOM 89 CB GLU A 6 -0.436 2.329 2.441 1.00 0.00 C ATOM 90 CG GLU A 6 -0.175 3.766 2.884 1.00 0.00 C ATOM 91 CD GLU A 6 -0.058 3.825 4.413 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.004 3.435 5.076 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.976 4.266 4.896 1.00 0.00 O ATOM 0 H GLU A 6 -1.209 0.169 1.036 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.702 3.151 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.104 1.841 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.498 1.767 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.742 4.137 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.985 4.413 2.547 1.00 0.00 H new ATOM 100 N VAL A 7 -0.105 3.078 -1.045 1.00 0.00 N ATOM 101 CA VAL A 7 0.913 3.080 -2.126 1.00 0.00 C ATOM 102 C VAL A 7 1.790 4.294 -1.947 1.00 0.00 C ATOM 103 O VAL A 7 1.349 5.435 -2.083 1.00 0.00 O ATOM 104 CB VAL A 7 0.091 3.262 -3.442 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.777 2.035 -3.718 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.820 4.500 -3.328 1.00 0.00 C ATOM 0 H VAL A 7 -0.888 3.717 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 7 1.529 2.181 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 7 0.797 3.392 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.339 2.187 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.141 1.156 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.470 1.886 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.389 4.619 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.507 4.371 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.209 5.387 -3.162 1.00 0.00 H new ATOM 116 N PHE A 8 3.016 4.039 -1.564 1.00 0.00 N ATOM 117 CA PHE A 8 3.950 5.140 -1.289 1.00 0.00 C ATOM 118 C PHE A 8 5.134 5.071 -2.244 1.00 0.00 C ATOM 119 O PHE A 8 6.181 4.542 -1.914 1.00 0.00 O ATOM 120 CB PHE A 8 4.407 4.903 0.167 1.00 0.00 C ATOM 121 CG PHE A 8 5.766 5.520 0.403 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.869 6.879 0.702 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.924 4.736 0.316 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.123 7.452 0.912 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.180 5.316 0.529 1.00 0.00 C ATOM 126 CZ PHE A 8 8.276 6.673 0.828 1.00 0.00 C ATOM 0 H PHE A 8 3.400 3.103 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 8 3.496 6.122 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.681 5.334 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.446 3.833 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.979 7.486 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.847 3.684 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.201 8.505 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.073 4.712 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.244 7.122 0.995 1.00 0.00 H new ATOM 136 N THR A 9 4.975 5.607 -3.417 1.00 0.00 N ATOM 137 CA THR A 9 6.087 5.600 -4.410 1.00 0.00 C ATOM 138 C THR A 9 6.340 7.014 -4.928 1.00 0.00 C ATOM 139 O THR A 9 7.467 7.463 -5.006 1.00 0.00 O ATOM 140 CB THR A 9 5.596 4.689 -5.540 1.00 0.00 C ATOM 141 OG1 THR A 9 4.713 3.709 -5.012 1.00 0.00 O ATOM 142 CG2 THR A 9 6.790 3.999 -6.200 1.00 0.00 C ATOM 0 H THR A 9 4.116 6.055 -3.736 1.00 0.00 H new ATOM 0 HA THR A 9 7.026 5.249 -3.982 1.00 0.00 H new ATOM 0 HB THR A 9 5.070 5.288 -6.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.276 3.232 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.438 3.352 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.464 4.751 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.320 3.401 -5.459 1.00 0.00 H new ATOM 150 N SER A 10 5.303 7.727 -5.275 1.00 0.00 N ATOM 151 CA SER A 10 5.495 9.117 -5.781 1.00 0.00 C ATOM 152 C SER A 10 4.148 9.754 -6.133 1.00 0.00 C ATOM 153 O SER A 10 3.224 9.079 -6.539 1.00 0.00 O ATOM 154 CB SER A 10 6.364 8.967 -7.029 1.00 0.00 C ATOM 155 OG SER A 10 6.782 10.254 -7.463 1.00 0.00 O ATOM 0 H SER A 10 4.335 7.409 -5.230 1.00 0.00 H new ATOM 0 HA SER A 10 5.958 9.764 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.231 8.344 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.804 8.467 -7.819 1.00 0.00 H new ATOM 0 HG SER A 10 7.341 10.164 -8.263 1.00 0.00 H new ATOM 161 N PRO A 11 4.090 11.046 -5.958 1.00 0.00 N ATOM 162 CA PRO A 11 2.858 11.807 -6.252 1.00 0.00 C ATOM 163 C PRO A 11 2.808 12.207 -7.731 1.00 0.00 C ATOM 164 O PRO A 11 1.755 12.405 -8.295 1.00 0.00 O ATOM 165 CB PRO A 11 2.993 13.041 -5.368 1.00 0.00 C ATOM 166 CG PRO A 11 4.467 13.220 -5.140 1.00 0.00 C ATOM 167 CD PRO A 11 5.160 11.916 -5.470 1.00 0.00 C ATOM 0 HA PRO A 11 1.948 11.238 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.563 13.918 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.465 12.906 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.853 14.024 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.660 13.501 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.933 12.057 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.647 11.492 -4.592 1.00 0.00 H new ATOM 175 N THR A 12 3.944 12.330 -8.361 1.00 0.00 N ATOM 176 CA THR A 12 3.965 12.719 -9.797 1.00 0.00 C ATOM 177 C THR A 12 3.635 11.506 -10.673 1.00 0.00 C ATOM 178 O THR A 12 3.816 11.523 -11.879 1.00 0.00 O ATOM 179 CB THR A 12 5.390 13.206 -10.055 1.00 0.00 C ATOM 180 OG1 THR A 12 5.892 13.837 -8.884 1.00 0.00 O ATOM 181 CG2 THR A 12 5.392 14.205 -11.214 1.00 0.00 C ATOM 0 H THR A 12 4.861 12.177 -7.941 1.00 0.00 H new ATOM 0 HA THR A 12 3.229 13.488 -10.032 1.00 0.00 H new ATOM 0 HB THR A 12 6.022 12.356 -10.312 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.807 14.149 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.410 14.550 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.008 13.721 -12.112 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.760 15.056 -10.962 1.00 0.00 H new ATOM 189 N CYS A 13 3.162 10.451 -10.072 1.00 0.00 N ATOM 190 CA CYS A 13 2.792 9.241 -10.855 1.00 0.00 C ATOM 191 C CYS A 13 1.778 8.387 -10.085 1.00 0.00 C ATOM 192 O CYS A 13 1.314 8.776 -9.027 1.00 0.00 O ATOM 193 CB CYS A 13 4.111 8.521 -11.080 1.00 0.00 C ATOM 194 SG CYS A 13 4.494 8.533 -12.848 1.00 0.00 S ATOM 0 H CYS A 13 3.015 10.375 -9.066 1.00 0.00 H new ATOM 0 HA CYS A 13 2.303 9.475 -11.801 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.907 9.010 -10.519 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.047 7.496 -10.715 1.00 0.00 H new ATOM 0 HG CYS A 13 4.422 9.750 -13.299 1.00 0.00 H new ATOM 200 N PRO A 14 1.513 7.228 -10.617 1.00 0.00 N ATOM 201 CA PRO A 14 0.605 6.273 -9.950 1.00 0.00 C ATOM 202 C PRO A 14 1.382 5.444 -8.909 1.00 0.00 C ATOM 203 O PRO A 14 2.156 4.566 -9.246 1.00 0.00 O ATOM 204 CB PRO A 14 0.129 5.384 -11.088 1.00 0.00 C ATOM 205 CG PRO A 14 1.204 5.454 -12.133 1.00 0.00 C ATOM 206 CD PRO A 14 2.016 6.707 -11.891 1.00 0.00 C ATOM 0 HA PRO A 14 -0.214 6.757 -9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.021 4.359 -10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.825 5.731 -11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.842 4.572 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.764 5.472 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.082 6.485 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.882 7.429 -12.696 1.00 0.00 H new ATOM 214 N TYR A 15 1.174 5.703 -7.645 1.00 0.00 N ATOM 215 CA TYR A 15 1.889 4.917 -6.597 1.00 0.00 C ATOM 216 C TYR A 15 1.747 3.420 -6.888 1.00 0.00 C ATOM 217 O TYR A 15 2.615 2.808 -7.479 1.00 0.00 O ATOM 218 CB TYR A 15 1.190 5.278 -5.283 1.00 0.00 C ATOM 219 CG TYR A 15 0.961 6.769 -5.221 1.00 0.00 C ATOM 220 CD1 TYR A 15 1.969 7.614 -4.744 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.263 7.307 -5.640 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.756 8.997 -4.686 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.476 8.689 -5.582 1.00 0.00 C ATOM 224 CZ TYR A 15 0.534 9.534 -5.106 1.00 0.00 C ATOM 225 OH TYR A 15 0.322 10.896 -5.046 1.00 0.00 O ATOM 0 H TYR A 15 0.542 6.422 -7.294 1.00 0.00 H new ATOM 0 HA TYR A 15 2.955 5.140 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.239 4.751 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.798 4.958 -4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.912 7.199 -4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.042 6.655 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.534 9.649 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.420 9.104 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.033 11.210 -5.904 1.00 0.00 H new ATOM 235 N CYS A 16 0.656 2.831 -6.484 1.00 0.00 N ATOM 236 CA CYS A 16 0.443 1.373 -6.745 1.00 0.00 C ATOM 237 C CYS A 16 -1.057 1.059 -6.742 1.00 0.00 C ATOM 238 O CYS A 16 -1.495 0.114 -6.116 1.00 0.00 O ATOM 239 CB CYS A 16 1.143 0.655 -5.590 1.00 0.00 C ATOM 240 SG CYS A 16 2.928 0.635 -5.882 1.00 0.00 S ATOM 0 H CYS A 16 -0.101 3.295 -5.983 1.00 0.00 H new ATOM 0 HA CYS A 16 0.836 1.061 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.924 1.159 -4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.767 -0.364 -5.501 1.00 0.00 H new ATOM 0 HG CYS A 16 3.248 1.610 -6.680 1.00 0.00 H new ATOM 246 N PRO A 17 -1.795 1.877 -7.445 1.00 0.00 N ATOM 247 CA PRO A 17 -3.267 1.704 -7.529 1.00 0.00 C ATOM 248 C PRO A 17 -3.632 0.496 -8.398 1.00 0.00 C ATOM 249 O PRO A 17 -4.713 0.422 -8.947 1.00 0.00 O ATOM 250 CB PRO A 17 -3.740 2.998 -8.187 1.00 0.00 C ATOM 251 CG PRO A 17 -2.558 3.493 -8.957 1.00 0.00 C ATOM 252 CD PRO A 17 -1.329 3.033 -8.219 1.00 0.00 C ATOM 0 HA PRO A 17 -3.725 1.523 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.592 2.819 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.059 3.726 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.567 3.100 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.577 4.580 -9.036 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.530 2.757 -8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.936 3.816 -7.571 1.00 0.00 H new ATOM 260 N MET A 18 -2.746 -0.449 -8.529 1.00 0.00 N ATOM 261 CA MET A 18 -3.054 -1.647 -9.365 1.00 0.00 C ATOM 262 C MET A 18 -3.224 -2.879 -8.477 1.00 0.00 C ATOM 263 O MET A 18 -4.311 -3.400 -8.324 1.00 0.00 O ATOM 264 CB MET A 18 -1.842 -1.816 -10.281 1.00 0.00 C ATOM 265 CG MET A 18 -2.245 -2.613 -11.522 1.00 0.00 C ATOM 266 SD MET A 18 -3.693 -1.843 -12.288 1.00 0.00 S ATOM 267 CE MET A 18 -4.454 -3.361 -12.912 1.00 0.00 C ATOM 0 H MET A 18 -1.823 -0.447 -8.095 1.00 0.00 H new ATOM 0 HA MET A 18 -3.979 -1.528 -9.929 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.455 -0.840 -10.573 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.041 -2.330 -9.750 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.418 -2.645 -12.232 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.470 -3.644 -11.248 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.381 -3.117 -13.431 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.770 -3.853 -13.603 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.670 -4.029 -12.078 1.00 0.00 H new ATOM 277 N ALA A 19 -2.158 -3.352 -7.891 1.00 0.00 N ATOM 278 CA ALA A 19 -2.271 -4.547 -7.016 1.00 0.00 C ATOM 279 C ALA A 19 -3.318 -4.287 -5.939 1.00 0.00 C ATOM 280 O ALA A 19 -3.862 -5.201 -5.351 1.00 0.00 O ATOM 281 CB ALA A 19 -0.886 -4.714 -6.394 1.00 0.00 C ATOM 0 H ALA A 19 -1.219 -2.963 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.577 -5.442 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.887 -5.579 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.148 -4.862 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.633 -3.820 -5.823 1.00 0.00 H new ATOM 287 N ILE A 20 -3.624 -3.040 -5.692 1.00 0.00 N ATOM 288 CA ILE A 20 -4.654 -2.720 -4.664 1.00 0.00 C ATOM 289 C ILE A 20 -6.031 -3.108 -5.197 1.00 0.00 C ATOM 290 O ILE A 20 -6.856 -3.653 -4.489 1.00 0.00 O ATOM 291 CB ILE A 20 -4.561 -1.208 -4.464 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.213 -0.495 -5.651 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.091 -0.794 -4.367 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.371 0.992 -5.328 1.00 0.00 C ATOM 0 H ILE A 20 -3.206 -2.234 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.500 -3.257 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.078 -0.932 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.602 -0.621 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.186 -0.937 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.025 0.285 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.625 -1.301 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.574 -1.071 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.835 1.501 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.999 1.108 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.391 1.429 -5.136 1.00 0.00 H new ATOM 306 N GLU A 21 -6.274 -2.850 -6.453 1.00 0.00 N ATOM 307 CA GLU A 21 -7.582 -3.225 -7.049 1.00 0.00 C ATOM 308 C GLU A 21 -7.831 -4.710 -6.789 1.00 0.00 C ATOM 309 O GLU A 21 -8.943 -5.137 -6.560 1.00 0.00 O ATOM 310 CB GLU A 21 -7.438 -2.938 -8.543 1.00 0.00 C ATOM 311 CG GLU A 21 -8.744 -3.286 -9.260 1.00 0.00 C ATOM 312 CD GLU A 21 -9.723 -2.116 -9.139 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.287 -0.987 -9.298 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.890 -2.368 -8.891 1.00 0.00 O ATOM 0 H GLU A 21 -5.621 -2.395 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.423 -2.674 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.194 -1.887 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.616 -3.522 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.548 -3.502 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.181 -4.185 -8.826 1.00 0.00 H new ATOM 321 N VAL A 22 -6.788 -5.497 -6.802 1.00 0.00 N ATOM 322 CA VAL A 22 -6.945 -6.954 -6.533 1.00 0.00 C ATOM 323 C VAL A 22 -7.296 -7.153 -5.061 1.00 0.00 C ATOM 324 O VAL A 22 -8.178 -7.914 -4.712 1.00 0.00 O ATOM 325 CB VAL A 22 -5.583 -7.570 -6.858 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.500 -8.968 -6.248 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.419 -7.665 -8.377 1.00 0.00 C ATOM 0 H VAL A 22 -5.833 -5.192 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.737 -7.414 -7.124 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.791 -6.946 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.530 -9.409 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.620 -8.901 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.290 -9.593 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.449 -8.104 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.210 -8.291 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.481 -6.668 -8.813 1.00 0.00 H new ATOM 337 N VAL A 23 -6.631 -6.435 -4.204 1.00 0.00 N ATOM 338 CA VAL A 23 -6.925 -6.522 -2.746 1.00 0.00 C ATOM 339 C VAL A 23 -8.309 -5.944 -2.470 1.00 0.00 C ATOM 340 O VAL A 23 -8.998 -6.341 -1.547 1.00 0.00 O ATOM 341 CB VAL A 23 -5.833 -5.713 -2.054 1.00 0.00 C ATOM 342 CG1 VAL A 23 -5.457 -6.408 -0.742 1.00 0.00 C ATOM 343 CG2 VAL A 23 -4.602 -5.642 -2.960 1.00 0.00 C ATOM 0 H VAL A 23 -5.887 -5.783 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.931 -7.549 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.192 -4.704 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.676 -5.837 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.334 -6.469 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.092 -7.413 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.820 -5.064 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.238 -6.650 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.870 -5.161 -3.901 1.00 0.00 H new ATOM 353 N ASP A 24 -8.700 -4.972 -3.249 1.00 0.00 N ATOM 354 CA ASP A 24 -10.027 -4.338 -3.049 1.00 0.00 C ATOM 355 C ASP A 24 -11.101 -5.313 -3.508 1.00 0.00 C ATOM 356 O ASP A 24 -12.160 -5.430 -2.922 1.00 0.00 O ATOM 357 CB ASP A 24 -10.003 -3.090 -3.929 1.00 0.00 C ATOM 358 CG ASP A 24 -10.956 -2.040 -3.356 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.128 -2.090 -3.691 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.500 -1.206 -2.593 1.00 0.00 O ATOM 0 H ASP A 24 -8.151 -4.590 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.236 -4.081 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.991 -2.688 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.296 -3.345 -4.947 1.00 0.00 H new ATOM 365 N GLU A 25 -10.812 -6.007 -4.567 1.00 0.00 N ATOM 366 CA GLU A 25 -11.771 -6.992 -5.114 1.00 0.00 C ATOM 367 C GLU A 25 -12.067 -8.071 -4.071 1.00 0.00 C ATOM 368 O GLU A 25 -13.201 -8.449 -3.857 1.00 0.00 O ATOM 369 CB GLU A 25 -11.043 -7.585 -6.319 1.00 0.00 C ATOM 370 CG GLU A 25 -11.797 -7.229 -7.600 1.00 0.00 C ATOM 371 CD GLU A 25 -12.792 -8.342 -7.931 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.456 -9.494 -7.714 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.874 -8.023 -8.395 1.00 0.00 O ATOM 0 H GLU A 25 -9.936 -5.930 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.730 -6.551 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.024 -7.201 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.971 -8.668 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.322 -6.282 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.095 -7.097 -8.423 1.00 0.00 H new ATOM 380 N ALA A 26 -11.050 -8.570 -3.431 1.00 0.00 N ATOM 381 CA ALA A 26 -11.257 -9.625 -2.404 1.00 0.00 C ATOM 382 C ALA A 26 -11.746 -9.018 -1.093 1.00 0.00 C ATOM 383 O ALA A 26 -12.583 -9.578 -0.411 1.00 0.00 O ATOM 384 CB ALA A 26 -9.888 -10.269 -2.216 1.00 0.00 C ATOM 0 H ALA A 26 -10.080 -8.291 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.013 -10.348 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.958 -11.061 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.551 -10.691 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.175 -9.516 -1.880 1.00 0.00 H new ATOM 390 N LYS A 27 -11.219 -7.882 -0.719 1.00 0.00 N ATOM 391 CA LYS A 27 -11.652 -7.278 0.567 1.00 0.00 C ATOM 392 C LYS A 27 -13.059 -6.716 0.405 1.00 0.00 C ATOM 393 O LYS A 27 -13.794 -6.565 1.362 1.00 0.00 O ATOM 394 CB LYS A 27 -10.649 -6.153 0.819 1.00 0.00 C ATOM 395 CG LYS A 27 -9.534 -6.673 1.727 1.00 0.00 C ATOM 396 CD LYS A 27 -8.699 -7.710 0.970 1.00 0.00 C ATOM 397 CE LYS A 27 -9.485 -9.019 0.841 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.522 -10.083 1.243 1.00 0.00 N ATOM 0 H LYS A 27 -10.519 -7.356 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.677 -7.991 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.232 -5.802 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.147 -5.302 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.901 -5.848 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.961 -7.120 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.442 -7.331 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.761 -7.889 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.364 -9.017 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.838 -9.170 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.038 -10.967 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.835 -10.237 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.020 -9.789 2.105 1.00 0.00 H new ATOM 412 N LYS A 28 -13.468 -6.482 -0.810 1.00 0.00 N ATOM 413 CA LYS A 28 -14.851 -6.012 -1.042 1.00 0.00 C ATOM 414 C LYS A 28 -15.781 -7.182 -0.749 1.00 0.00 C ATOM 415 O LYS A 28 -16.780 -7.058 -0.067 1.00 0.00 O ATOM 416 CB LYS A 28 -14.906 -5.652 -2.524 1.00 0.00 C ATOM 417 CG LYS A 28 -15.169 -4.157 -2.684 1.00 0.00 C ATOM 418 CD LYS A 28 -13.995 -3.512 -3.420 1.00 0.00 C ATOM 419 CE LYS A 28 -13.730 -4.268 -4.725 1.00 0.00 C ATOM 420 NZ LYS A 28 -14.698 -3.697 -5.702 1.00 0.00 N ATOM 0 H LYS A 28 -12.900 -6.597 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.139 -5.164 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.966 -5.919 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.692 -6.224 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.093 -3.996 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.299 -3.693 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.216 -2.466 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.105 -3.528 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.702 -4.129 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.882 -5.340 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.578 -4.165 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.668 -3.850 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.525 -2.677 -5.807 1.00 0.00 H new ATOM 434 N GLU A 29 -15.421 -8.326 -1.258 1.00 0.00 N ATOM 435 CA GLU A 29 -16.232 -9.551 -1.036 1.00 0.00 C ATOM 436 C GLU A 29 -16.594 -9.653 0.438 1.00 0.00 C ATOM 437 O GLU A 29 -17.708 -9.961 0.806 1.00 0.00 O ATOM 438 CB GLU A 29 -15.274 -10.675 -1.433 1.00 0.00 C ATOM 439 CG GLU A 29 -14.782 -11.413 -0.184 1.00 0.00 C ATOM 440 CD GLU A 29 -15.894 -12.321 0.343 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.048 -11.960 0.188 1.00 0.00 O ATOM 442 OE2 GLU A 29 -15.571 -13.360 0.896 1.00 0.00 O ATOM 0 H GLU A 29 -14.586 -8.464 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.167 -9.573 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.777 -11.373 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.425 -10.264 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.898 -12.004 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.489 -10.696 0.583 1.00 0.00 H new ATOM 449 N PHE A 30 -15.672 -9.318 1.286 1.00 0.00 N ATOM 450 CA PHE A 30 -15.941 -9.386 2.742 1.00 0.00 C ATOM 451 C PHE A 30 -16.373 -7.992 3.209 1.00 0.00 C ATOM 452 O PHE A 30 -17.481 -7.821 3.695 1.00 0.00 O ATOM 453 CB PHE A 30 -14.576 -9.738 3.386 1.00 0.00 C ATOM 454 CG PHE A 30 -14.167 -8.655 4.362 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.998 -8.337 5.443 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.962 -7.968 4.185 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.623 -7.333 6.342 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.587 -6.966 5.085 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.418 -6.647 6.163 1.00 0.00 C ATOM 0 H PHE A 30 -14.737 -8.998 1.032 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.715 -10.108 3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.644 -10.696 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.817 -9.846 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.929 -8.867 5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.320 -8.212 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.265 -7.088 7.175 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.655 -6.438 4.947 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.129 -5.871 6.857 1.00 0.00 H new ATOM 469 N GLY A 31 -15.551 -6.998 3.012 1.00 0.00 N ATOM 470 CA GLY A 31 -15.940 -5.605 3.406 1.00 0.00 C ATOM 471 C GLY A 31 -16.560 -4.853 2.210 1.00 0.00 C ATOM 472 O GLY A 31 -15.905 -4.075 1.574 1.00 0.00 O ATOM 0 H GLY A 31 -14.624 -7.086 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.654 -5.640 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.064 -5.066 3.767 1.00 0.00 H new ATOM 476 N ASP A 32 -17.815 -5.021 1.914 1.00 0.00 N ATOM 477 CA ASP A 32 -18.383 -4.256 0.750 1.00 0.00 C ATOM 478 C ASP A 32 -17.777 -2.842 0.691 1.00 0.00 C ATOM 479 O ASP A 32 -17.705 -2.225 -0.362 1.00 0.00 O ATOM 480 CB ASP A 32 -19.875 -4.185 1.064 1.00 0.00 C ATOM 481 CG ASP A 32 -20.403 -2.793 0.718 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.503 -2.494 -0.459 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.712 -2.052 1.639 1.00 0.00 O ATOM 0 H ASP A 32 -18.465 -5.635 2.406 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.172 -4.723 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.414 -4.942 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.046 -4.399 2.119 1.00 0.00 H new ATOM 488 N LYS A 33 -17.322 -2.349 1.798 1.00 0.00 N ATOM 489 CA LYS A 33 -16.663 -1.013 1.855 1.00 0.00 C ATOM 490 C LYS A 33 -15.184 -1.089 1.458 1.00 0.00 C ATOM 491 O LYS A 33 -14.525 -2.082 1.683 1.00 0.00 O ATOM 492 CB LYS A 33 -16.860 -0.510 3.271 1.00 0.00 C ATOM 493 CG LYS A 33 -18.240 -0.949 3.765 1.00 0.00 C ATOM 494 CD LYS A 33 -18.233 -1.002 5.290 1.00 0.00 C ATOM 495 CE LYS A 33 -18.377 -2.453 5.751 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.796 -2.805 5.472 1.00 0.00 N ATOM 0 H LYS A 33 -17.378 -2.827 2.697 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.105 -0.322 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.082 -0.907 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.777 0.576 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.003 -0.252 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.492 -1.928 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.306 -0.577 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.049 -0.400 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.694 -3.109 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.146 -2.555 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.167 -3.392 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.361 -1.935 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.853 -3.334 4.578 1.00 0.00 H new ATOM 510 N ILE A 34 -14.621 -0.035 0.928 1.00 0.00 N ATOM 511 CA ILE A 34 -13.175 -0.085 0.592 1.00 0.00 C ATOM 512 C ILE A 34 -12.446 1.137 1.165 1.00 0.00 C ATOM 513 O ILE A 34 -13.021 2.192 1.364 1.00 0.00 O ATOM 514 CB ILE A 34 -13.135 -0.054 -0.930 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.009 -1.479 -1.465 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.940 0.778 -1.399 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.736 -2.443 -0.527 1.00 0.00 C ATOM 0 H ILE A 34 -15.094 0.844 0.717 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.686 -0.967 1.006 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.054 0.395 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.433 -1.541 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.958 -1.757 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.915 0.797 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.034 1.796 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.018 0.335 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.646 -3.460 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.292 -2.388 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.789 -2.169 -0.469 1.00 0.00 H new ATOM 529 N ASP A 35 -11.171 0.999 1.423 1.00 0.00 N ATOM 530 CA ASP A 35 -10.384 2.135 1.977 1.00 0.00 C ATOM 531 C ASP A 35 -8.937 2.008 1.519 1.00 0.00 C ATOM 532 O ASP A 35 -8.066 1.616 2.269 1.00 0.00 O ATOM 533 CB ASP A 35 -10.481 1.997 3.499 1.00 0.00 C ATOM 534 CG ASP A 35 -9.463 2.924 4.169 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.615 3.447 3.467 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.550 3.095 5.375 1.00 0.00 O ATOM 0 H ASP A 35 -10.640 0.141 1.272 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.755 3.105 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.488 2.246 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.294 0.964 3.792 1.00 0.00 H new ATOM 541 N VAL A 36 -8.657 2.339 0.288 1.00 0.00 N ATOM 542 CA VAL A 36 -7.257 2.196 -0.190 1.00 0.00 C ATOM 543 C VAL A 36 -6.538 3.527 -0.024 1.00 0.00 C ATOM 544 O VAL A 36 -6.955 4.545 -0.540 1.00 0.00 O ATOM 545 CB VAL A 36 -7.408 1.879 -1.695 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.045 1.977 -2.388 1.00 0.00 C ATOM 547 CG2 VAL A 36 -7.966 0.466 -1.875 1.00 0.00 C ATOM 0 H VAL A 36 -9.325 2.696 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.693 1.435 0.350 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.094 2.600 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.159 1.752 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.649 2.986 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.356 1.263 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.070 0.249 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.285 -0.255 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.941 0.396 -1.393 1.00 0.00 H new ATOM 557 N GLU A 37 -5.444 3.519 0.718 1.00 0.00 N ATOM 558 CA GLU A 37 -4.736 4.807 0.966 1.00 0.00 C ATOM 559 C GLU A 37 -3.495 4.836 0.078 1.00 0.00 C ATOM 560 O GLU A 37 -2.926 3.817 -0.231 1.00 0.00 O ATOM 561 CB GLU A 37 -4.272 4.711 2.435 1.00 0.00 C ATOM 562 CG GLU A 37 -5.470 4.768 3.383 1.00 0.00 C ATOM 563 CD GLU A 37 -5.112 5.613 4.613 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.401 6.590 4.451 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.561 5.269 5.697 1.00 0.00 O ATOM 0 H GLU A 37 -5.027 2.693 1.148 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.353 5.684 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.724 3.782 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.585 5.527 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.331 5.198 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.752 3.761 3.690 1.00 0.00 H new ATOM 572 N LYS A 38 -3.157 6.000 -0.383 1.00 0.00 N ATOM 573 CA LYS A 38 -2.043 6.154 -1.367 1.00 0.00 C ATOM 574 C LYS A 38 -1.185 7.381 -1.093 1.00 0.00 C ATOM 575 O LYS A 38 -1.669 8.493 -1.087 1.00 0.00 O ATOM 576 CB LYS A 38 -2.674 6.244 -2.747 1.00 0.00 C ATOM 577 CG LYS A 38 -3.683 7.381 -2.765 1.00 0.00 C ATOM 578 CD LYS A 38 -4.915 6.974 -1.956 1.00 0.00 C ATOM 579 CE LYS A 38 -6.166 7.163 -2.812 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.205 6.314 -2.166 1.00 0.00 N ATOM 0 H LYS A 38 -3.611 6.874 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.373 5.298 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.905 6.413 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.164 5.303 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.239 8.283 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.968 7.614 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.830 5.934 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.985 7.577 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.472 8.209 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.989 6.855 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.760 5.827 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.746 5.610 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.836 6.912 -1.595 1.00 0.00 H new ATOM 594 N ILE A 39 0.057 7.202 -0.777 1.00 0.00 N ATOM 595 CA ILE A 39 0.928 8.371 -0.459 1.00 0.00 C ATOM 596 C ILE A 39 2.070 8.504 -1.470 1.00 0.00 C ATOM 597 O ILE A 39 2.365 7.589 -2.214 1.00 0.00 O ATOM 598 CB ILE A 39 1.462 8.108 0.936 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.860 6.808 1.463 1.00 0.00 C ATOM 600 CG2 ILE A 39 1.068 9.268 1.852 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.902 6.815 2.988 1.00 0.00 C ATOM 0 H ILE A 39 0.517 6.293 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 39 0.374 9.308 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 39 2.548 8.021 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.168 6.703 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.415 5.954 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.449 9.084 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.492 10.196 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.018 9.352 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.473 5.888 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.936 6.900 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.328 7.662 3.364 1.00 0.00 H new ATOM 613 N ASP A 40 2.736 9.624 -1.483 1.00 0.00 N ATOM 614 CA ASP A 40 3.883 9.806 -2.427 1.00 0.00 C ATOM 615 C ASP A 40 5.205 9.538 -1.692 1.00 0.00 C ATOM 616 O ASP A 40 5.267 9.552 -0.475 1.00 0.00 O ATOM 617 CB ASP A 40 3.794 11.265 -2.877 1.00 0.00 C ATOM 618 CG ASP A 40 5.103 11.990 -2.552 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.152 11.424 -2.810 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.031 13.100 -2.050 1.00 0.00 O ATOM 0 H ASP A 40 2.539 10.424 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 40 3.846 9.122 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.597 11.313 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.961 11.759 -2.377 1.00 0.00 H new ATOM 625 N ILE A 41 6.255 9.256 -2.418 1.00 0.00 N ATOM 626 CA ILE A 41 7.559 8.971 -1.763 1.00 0.00 C ATOM 627 C ILE A 41 8.152 10.205 -1.104 1.00 0.00 C ATOM 628 O ILE A 41 8.747 10.117 -0.042 1.00 0.00 O ATOM 629 CB ILE A 41 8.465 8.475 -2.892 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.895 8.344 -2.370 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.430 9.488 -4.035 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.873 8.448 -3.541 1.00 0.00 C ATOM 0 H ILE A 41 6.263 9.211 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 41 7.446 8.240 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 41 8.120 7.505 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.101 9.126 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.022 7.389 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.073 9.144 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.408 9.589 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.784 10.454 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.894 8.355 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.671 7.650 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.751 9.414 -4.032 1.00 0.00 H new ATOM 644 N MET A 42 8.004 11.344 -1.704 1.00 0.00 N ATOM 645 CA MET A 42 8.573 12.574 -1.084 1.00 0.00 C ATOM 646 C MET A 42 7.633 13.136 -0.014 1.00 0.00 C ATOM 647 O MET A 42 7.953 14.090 0.667 1.00 0.00 O ATOM 648 CB MET A 42 8.700 13.561 -2.247 1.00 0.00 C ATOM 649 CG MET A 42 7.408 14.371 -2.375 1.00 0.00 C ATOM 650 SD MET A 42 7.721 15.844 -3.378 1.00 0.00 S ATOM 651 CE MET A 42 8.655 16.771 -2.135 1.00 0.00 C ATOM 0 H MET A 42 7.518 11.483 -2.590 1.00 0.00 H new ATOM 0 HA MET A 42 9.524 12.380 -0.587 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.545 14.229 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.897 13.023 -3.174 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.628 13.763 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.047 14.659 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.317 17.807 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.494 16.326 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.717 16.739 -2.379 1.00 0.00 H new ATOM 661 N VAL A 43 6.485 12.544 0.150 1.00 0.00 N ATOM 662 CA VAL A 43 5.526 13.051 1.173 1.00 0.00 C ATOM 663 C VAL A 43 5.387 12.030 2.300 1.00 0.00 C ATOM 664 O VAL A 43 5.405 12.369 3.465 1.00 0.00 O ATOM 665 CB VAL A 43 4.198 13.215 0.434 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.720 11.852 -0.066 1.00 0.00 C ATOM 667 CG2 VAL A 43 3.153 13.802 1.387 1.00 0.00 C ATOM 0 H VAL A 43 6.168 11.731 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 43 5.855 13.988 1.622 1.00 0.00 H new ATOM 0 HB VAL A 43 4.336 13.886 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.773 11.969 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.463 11.432 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.583 11.181 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.206 13.919 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.016 13.131 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.492 14.774 1.745 1.00 0.00 H new ATOM 677 N ASP A 44 5.245 10.780 1.966 1.00 0.00 N ATOM 678 CA ASP A 44 5.105 9.744 3.022 1.00 0.00 C ATOM 679 C ASP A 44 6.392 8.928 3.128 1.00 0.00 C ATOM 680 O ASP A 44 6.371 7.717 3.091 1.00 0.00 O ATOM 681 CB ASP A 44 3.944 8.857 2.560 1.00 0.00 C ATOM 682 CG ASP A 44 3.969 7.533 3.326 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.468 7.508 4.439 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.488 6.569 2.790 1.00 0.00 O ATOM 0 H ASP A 44 5.220 10.431 1.008 1.00 0.00 H new ATOM 0 HA ASP A 44 4.918 10.177 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.995 9.367 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.021 8.670 1.489 1.00 0.00 H new ATOM 689 N ARG A 45 7.533 9.580 3.230 1.00 0.00 N ATOM 690 CA ARG A 45 8.801 8.795 3.287 1.00 0.00 C ATOM 691 C ARG A 45 8.815 7.945 4.552 1.00 0.00 C ATOM 692 O ARG A 45 9.661 7.087 4.730 1.00 0.00 O ATOM 693 CB ARG A 45 9.877 9.879 3.437 1.00 0.00 C ATOM 694 CG ARG A 45 9.920 10.334 4.907 1.00 0.00 C ATOM 695 CD ARG A 45 9.540 11.817 5.003 1.00 0.00 C ATOM 696 NE ARG A 45 9.439 12.100 6.464 1.00 0.00 N ATOM 697 CZ ARG A 45 10.509 12.073 7.212 1.00 0.00 C ATOM 698 NH1 ARG A 45 11.690 11.999 6.659 1.00 0.00 N ATOM 699 NH2 ARG A 45 10.399 12.120 8.511 1.00 0.00 N ATOM 0 H ARG A 45 7.635 10.594 3.275 1.00 0.00 H new ATOM 0 HA ARG A 45 8.936 8.141 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.849 9.491 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.654 10.725 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.233 9.734 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.918 10.178 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.293 12.448 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.595 12.015 4.497 1.00 0.00 H new ATOM 0 HE ARG A 45 8.533 12.315 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.776 11.962 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.526 11.978 7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.477 12.178 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.235 12.099 9.095 1.00 0.00 H new ATOM 713 N GLU A 46 7.808 8.084 5.362 1.00 0.00 N ATOM 714 CA GLU A 46 7.678 7.223 6.570 1.00 0.00 C ATOM 715 C GLU A 46 7.794 5.744 6.178 1.00 0.00 C ATOM 716 O GLU A 46 8.032 4.885 7.003 1.00 0.00 O ATOM 717 CB GLU A 46 6.314 7.542 7.168 1.00 0.00 C ATOM 718 CG GLU A 46 5.216 7.220 6.154 1.00 0.00 C ATOM 719 CD GLU A 46 3.846 7.422 6.803 1.00 0.00 C ATOM 720 OE1 GLU A 46 3.368 8.544 6.788 1.00 0.00 O ATOM 721 OE2 GLU A 46 3.304 6.453 7.305 1.00 0.00 O ATOM 0 H GLU A 46 7.059 8.765 5.239 1.00 0.00 H new ATOM 0 HA GLU A 46 8.468 7.413 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.162 6.963 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.266 8.594 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.314 7.863 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.317 6.192 5.807 1.00 0.00 H new ATOM 728 N LYS A 47 7.562 5.419 4.926 1.00 0.00 N ATOM 729 CA LYS A 47 7.628 3.980 4.492 1.00 0.00 C ATOM 730 C LYS A 47 8.933 3.358 4.968 1.00 0.00 C ATOM 731 O LYS A 47 8.956 2.413 5.750 1.00 0.00 O ATOM 732 CB LYS A 47 7.610 4.024 2.968 1.00 0.00 C ATOM 733 CG LYS A 47 8.725 3.120 2.453 1.00 0.00 C ATOM 734 CD LYS A 47 8.466 1.687 2.922 1.00 0.00 C ATOM 735 CE LYS A 47 9.760 0.877 2.837 1.00 0.00 C ATOM 736 NZ LYS A 47 9.623 -0.171 3.885 1.00 0.00 N ATOM 0 H LYS A 47 7.331 6.083 4.187 1.00 0.00 H new ATOM 0 HA LYS A 47 6.807 3.390 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.644 3.690 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.755 5.045 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.767 3.157 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.690 3.467 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.094 1.691 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.695 1.225 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.885 0.434 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.632 1.505 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.967 -1.080 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.183 0.097 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.623 -0.263 4.155 1.00 0.00 H new ATOM 750 N ALA A 48 9.992 3.925 4.548 1.00 0.00 N ATOM 751 CA ALA A 48 11.332 3.465 4.983 1.00 0.00 C ATOM 752 C ALA A 48 11.516 3.598 6.497 1.00 0.00 C ATOM 753 O ALA A 48 12.574 3.308 7.035 1.00 0.00 O ATOM 754 CB ALA A 48 12.364 4.182 4.128 1.00 0.00 C ATOM 0 H ALA A 48 10.002 4.714 3.901 1.00 0.00 H new ATOM 0 HA ALA A 48 11.461 2.395 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.364 3.865 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.201 3.937 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.268 5.259 4.268 1.00 0.00 H new ATOM 760 N ILE A 49 10.573 4.180 7.191 1.00 0.00 N ATOM 761 CA ILE A 49 10.823 4.381 8.635 1.00 0.00 C ATOM 762 C ILE A 49 11.675 3.204 9.046 1.00 0.00 C ATOM 763 O ILE A 49 12.647 3.325 9.769 1.00 0.00 O ATOM 764 CB ILE A 49 9.446 4.358 9.301 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.586 3.277 8.655 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.767 5.725 9.112 1.00 0.00 C ATOM 767 CD1 ILE A 49 7.109 3.555 8.938 1.00 0.00 C ATOM 0 H ILE A 49 9.677 4.511 6.833 1.00 0.00 H new ATOM 0 HA ILE A 49 11.327 5.310 8.903 1.00 0.00 H new ATOM 0 HB ILE A 49 9.560 4.147 10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.762 3.253 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.863 2.297 9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.785 5.712 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.380 6.502 9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.654 5.931 8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.498 2.780 8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.939 3.556 10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.836 4.527 8.527 1.00 0.00 H new ATOM 779 N GLU A 50 11.334 2.085 8.500 1.00 0.00 N ATOM 780 CA GLU A 50 12.105 0.849 8.745 1.00 0.00 C ATOM 781 C GLU A 50 13.588 1.123 8.476 1.00 0.00 C ATOM 782 O GLU A 50 14.430 0.877 9.307 1.00 0.00 O ATOM 783 CB GLU A 50 11.528 -0.146 7.743 1.00 0.00 C ATOM 784 CG GLU A 50 10.147 -0.603 8.225 1.00 0.00 C ATOM 785 CD GLU A 50 9.108 0.480 7.904 1.00 0.00 C ATOM 786 OE1 GLU A 50 9.500 1.531 7.417 1.00 0.00 O ATOM 787 OE2 GLU A 50 7.938 0.239 8.153 1.00 0.00 O ATOM 0 H GLU A 50 10.533 1.971 7.878 1.00 0.00 H new ATOM 0 HA GLU A 50 12.035 0.477 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.448 0.316 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.193 -1.004 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.873 -1.540 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.169 -0.794 9.298 1.00 0.00 H new ATOM 794 N TYR A 51 13.916 1.644 7.321 1.00 0.00 N ATOM 795 CA TYR A 51 15.355 1.949 7.012 1.00 0.00 C ATOM 796 C TYR A 51 15.513 3.421 6.622 1.00 0.00 C ATOM 797 O TYR A 51 16.548 4.024 6.836 1.00 0.00 O ATOM 798 CB TYR A 51 15.730 1.056 5.832 1.00 0.00 C ATOM 799 CG TYR A 51 14.721 1.209 4.716 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.412 0.750 4.888 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.104 1.799 3.505 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.482 0.881 3.849 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.174 1.930 2.467 1.00 0.00 C ATOM 804 CZ TYR A 51 12.865 1.470 2.638 1.00 0.00 C ATOM 805 OH TYR A 51 11.949 1.594 1.614 1.00 0.00 O ATOM 0 H TYR A 51 13.256 1.872 6.578 1.00 0.00 H new ATOM 0 HA TYR A 51 15.994 1.767 7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.724 1.318 5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.772 0.015 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.118 0.294 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.116 2.153 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.470 0.528 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.468 2.387 1.533 1.00 0.00 H new ATOM 0 HH TYR A 51 12.419 1.604 0.754 1.00 0.00 H new ATOM 815 N GLY A 52 14.498 3.994 6.048 1.00 0.00 N ATOM 816 CA GLY A 52 14.555 5.433 5.635 1.00 0.00 C ATOM 817 C GLY A 52 15.915 5.778 5.007 1.00 0.00 C ATOM 818 O GLY A 52 16.212 6.918 4.730 1.00 0.00 O ATOM 0 H GLY A 52 13.616 3.526 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.758 5.641 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.380 6.070 6.502 1.00 0.00 H new ATOM 822 N LEU A 53 16.691 4.796 4.721 1.00 0.00 N ATOM 823 CA LEU A 53 17.998 4.977 4.037 1.00 0.00 C ATOM 824 C LEU A 53 17.711 5.113 2.545 1.00 0.00 C ATOM 825 O LEU A 53 17.904 6.166 1.912 1.00 0.00 O ATOM 826 CB LEU A 53 18.900 3.819 4.411 1.00 0.00 C ATOM 827 CG LEU A 53 19.201 3.917 5.918 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.395 2.510 6.473 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.480 4.736 6.144 1.00 0.00 C ATOM 0 H LEU A 53 16.471 3.824 4.940 1.00 0.00 H new ATOM 0 HA LEU A 53 18.531 5.877 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.417 2.870 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.825 3.855 3.835 1.00 0.00 H new ATOM 0 HG LEU A 53 18.371 4.409 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.609 2.566 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.487 1.928 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.228 2.029 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.686 4.801 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.317 4.250 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.346 5.739 5.739 1.00 0.00 H new ATOM 841 N MET A 54 17.335 4.011 1.969 1.00 0.00 N ATOM 842 CA MET A 54 17.048 3.936 0.517 1.00 0.00 C ATOM 843 C MET A 54 15.527 3.942 0.357 1.00 0.00 C ATOM 844 O MET A 54 14.941 3.022 -0.152 1.00 0.00 O ATOM 845 CB MET A 54 17.631 2.606 0.063 1.00 0.00 C ATOM 846 CG MET A 54 19.155 2.727 0.013 1.00 0.00 C ATOM 847 SD MET A 54 19.698 2.800 -1.710 1.00 0.00 S ATOM 848 CE MET A 54 20.832 1.392 -1.643 1.00 0.00 C ATOM 0 H MET A 54 17.211 3.128 2.465 1.00 0.00 H new ATOM 0 HA MET A 54 17.467 4.759 -0.062 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.338 1.812 0.749 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.241 2.339 -0.919 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.477 3.622 0.545 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.615 1.875 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.292 1.249 -2.621 1.00 0.00 H new ATOM 0 HE2 MET A 54 21.608 1.584 -0.902 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.280 0.493 -1.366 1.00 0.00 H new ATOM 858 N ALA A 55 14.862 4.970 0.826 1.00 0.00 N ATOM 859 CA ALA A 55 13.368 4.931 0.758 1.00 0.00 C ATOM 860 C ALA A 55 12.875 5.826 -0.380 1.00 0.00 C ATOM 861 O ALA A 55 13.062 7.035 -0.374 1.00 0.00 O ATOM 862 CB ALA A 55 12.953 5.589 2.095 1.00 0.00 C ATOM 0 H ALA A 55 15.271 5.808 1.240 1.00 0.00 H new ATOM 0 HA ALA A 55 12.973 3.928 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.866 5.619 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.353 5.008 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.347 6.604 2.139 1.00 0.00 H new ATOM 868 N VAL A 56 12.250 5.198 -1.353 1.00 0.00 N ATOM 869 CA VAL A 56 11.732 5.952 -2.528 1.00 0.00 C ATOM 870 C VAL A 56 10.448 5.303 -3.058 1.00 0.00 C ATOM 871 O VAL A 56 9.395 5.877 -2.936 1.00 0.00 O ATOM 872 CB VAL A 56 12.847 5.926 -3.575 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.227 5.929 -4.973 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.712 7.177 -3.405 1.00 0.00 C ATOM 0 H VAL A 56 12.080 4.193 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 56 11.473 6.978 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 56 13.456 5.031 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.019 5.911 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.594 5.050 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.626 6.829 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.511 7.170 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.097 8.066 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.145 7.187 -2.405 1.00 0.00 H new ATOM 884 N PRO A 57 10.544 4.104 -3.599 1.00 0.00 N ATOM 885 CA PRO A 57 9.308 3.428 -4.078 1.00 0.00 C ATOM 886 C PRO A 57 8.925 2.311 -3.106 1.00 0.00 C ATOM 887 O PRO A 57 9.663 1.354 -2.899 1.00 0.00 O ATOM 888 CB PRO A 57 9.842 2.732 -5.352 1.00 0.00 C ATOM 889 CG PRO A 57 11.332 2.535 -5.137 1.00 0.00 C ATOM 890 CD PRO A 57 11.754 3.347 -3.918 1.00 0.00 C ATOM 0 HA PRO A 57 8.456 4.096 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.342 1.776 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.654 3.341 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.557 1.479 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.888 2.856 -6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.060 2.706 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.595 4.004 -4.141 1.00 0.00 H new ATOM 898 N ALA A 58 7.787 2.489 -2.471 1.00 0.00 N ATOM 899 CA ALA A 58 7.344 1.510 -1.458 1.00 0.00 C ATOM 900 C ALA A 58 5.847 1.629 -1.181 1.00 0.00 C ATOM 901 O ALA A 58 5.164 2.511 -1.667 1.00 0.00 O ATOM 902 CB ALA A 58 8.139 1.844 -0.191 1.00 0.00 C ATOM 0 H ALA A 58 7.154 3.275 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 58 7.516 0.490 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.860 1.154 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.206 1.750 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.917 2.865 0.119 1.00 0.00 H new ATOM 908 N ILE A 59 5.336 0.753 -0.369 1.00 0.00 N ATOM 909 CA ILE A 59 3.892 0.804 -0.034 1.00 0.00 C ATOM 910 C ILE A 59 3.713 0.457 1.428 1.00 0.00 C ATOM 911 O ILE A 59 4.419 -0.374 1.973 1.00 0.00 O ATOM 912 CB ILE A 59 3.275 -0.297 -0.913 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.030 0.258 -2.316 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.947 -0.759 -0.309 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.914 -0.479 -3.326 1.00 0.00 C ATOM 0 H ILE A 59 5.859 0.001 0.079 1.00 0.00 H new ATOM 0 HA ILE A 59 3.439 1.781 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 59 3.959 -1.144 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.980 0.142 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.249 1.326 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.514 -1.539 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.120 -1.153 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.259 0.085 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.736 -0.080 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.962 -0.340 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.674 -1.542 -3.312 1.00 0.00 H new ATOM 927 N ALA A 60 2.771 1.064 2.106 1.00 0.00 N ATOM 928 CA ALA A 60 2.663 0.729 3.550 1.00 0.00 C ATOM 929 C ALA A 60 1.820 -0.504 3.604 1.00 0.00 C ATOM 930 O ALA A 60 0.950 -0.716 2.784 1.00 0.00 O ATOM 931 CB ALA A 60 1.878 1.943 4.141 1.00 0.00 C ATOM 0 H ALA A 60 2.104 1.744 1.742 1.00 0.00 H new ATOM 0 HA ALA A 60 3.603 0.561 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.740 1.800 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.441 2.860 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.904 2.017 3.656 1.00 0.00 H new ATOM 937 N ILE A 61 2.075 -1.365 4.567 1.00 0.00 N ATOM 938 CA ILE A 61 1.309 -2.597 4.517 1.00 0.00 C ATOM 939 C ILE A 61 0.129 -2.369 5.436 1.00 0.00 C ATOM 940 O ILE A 61 0.166 -2.717 6.624 1.00 0.00 O ATOM 941 CB ILE A 61 2.282 -3.592 5.229 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.750 -3.235 4.898 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.028 -5.042 4.800 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.639 -4.498 4.967 1.00 0.00 C ATOM 0 H ILE A 61 2.743 -1.257 5.330 1.00 0.00 H new ATOM 0 HA ILE A 61 0.977 -2.923 3.531 1.00 0.00 H new ATOM 0 HB ILE A 61 2.100 -3.504 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.809 -2.795 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.116 -2.486 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.725 -5.702 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.006 -5.323 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.173 -5.134 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.669 -4.231 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.594 -4.920 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.282 -5.234 4.247 1.00 0.00 H new ATOM 956 N ASN A 62 -0.894 -1.828 4.824 1.00 0.00 N ATOM 957 CA ASN A 62 -2.150 -1.577 5.540 1.00 0.00 C ATOM 958 C ASN A 62 -2.509 -2.797 6.348 1.00 0.00 C ATOM 959 O ASN A 62 -3.270 -3.642 5.925 1.00 0.00 O ATOM 960 CB ASN A 62 -3.186 -1.273 4.452 1.00 0.00 C ATOM 961 CG ASN A 62 -3.590 0.204 4.514 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.676 0.571 4.112 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.755 1.081 5.009 1.00 0.00 N ATOM 0 H ASN A 62 -0.898 -1.550 3.843 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.088 -0.746 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.774 -1.505 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.064 -1.905 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.018 2.066 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.841 0.780 5.348 1.00 0.00 H new ATOM 970 N GLY A 63 -1.930 -2.904 7.494 1.00 0.00 N ATOM 971 CA GLY A 63 -2.163 -4.073 8.369 1.00 0.00 C ATOM 972 C GLY A 63 -1.029 -4.113 9.385 1.00 0.00 C ATOM 973 O GLY A 63 -1.238 -4.329 10.563 1.00 0.00 O ATOM 0 H GLY A 63 -1.285 -2.212 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.126 -3.990 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.187 -4.992 7.784 1.00 0.00 H new ATOM 977 N VAL A 64 0.176 -3.894 8.926 1.00 0.00 N ATOM 978 CA VAL A 64 1.344 -3.909 9.855 1.00 0.00 C ATOM 979 C VAL A 64 2.171 -2.614 9.726 1.00 0.00 C ATOM 980 O VAL A 64 2.334 -1.891 10.687 1.00 0.00 O ATOM 981 CB VAL A 64 2.150 -5.141 9.442 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.236 -6.366 9.482 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.682 -4.961 8.020 1.00 0.00 C ATOM 0 H VAL A 64 0.401 -3.706 7.949 1.00 0.00 H new ATOM 0 HA VAL A 64 1.043 -3.956 10.902 1.00 0.00 H new ATOM 0 HB VAL A 64 2.988 -5.273 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.801 -7.251 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.851 -6.500 10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.404 -6.222 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.255 -5.842 7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.846 -4.831 7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.324 -4.081 7.980 1.00 0.00 H new ATOM 993 N VAL A 65 2.697 -2.303 8.564 1.00 0.00 N ATOM 994 CA VAL A 65 3.507 -1.041 8.449 1.00 0.00 C ATOM 995 C VAL A 65 3.716 -0.617 6.988 1.00 0.00 C ATOM 996 O VAL A 65 2.833 -0.084 6.347 1.00 0.00 O ATOM 997 CB VAL A 65 4.856 -1.376 9.083 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.760 -0.143 9.043 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.646 -1.802 10.537 1.00 0.00 C ATOM 0 H VAL A 65 2.606 -2.851 7.708 1.00 0.00 H new ATOM 0 HA VAL A 65 2.997 -0.211 8.937 1.00 0.00 H new ATOM 0 HB VAL A 65 5.323 -2.190 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.722 -0.383 9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.912 0.163 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.291 0.670 9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.609 -2.041 10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.177 -0.988 11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.002 -2.681 10.569 1.00 0.00 H new ATOM 1009 N ARG A 66 4.899 -0.840 6.471 1.00 0.00 N ATOM 1010 CA ARG A 66 5.210 -0.437 5.062 1.00 0.00 C ATOM 1011 C ARG A 66 6.490 -1.152 4.608 1.00 0.00 C ATOM 1012 O ARG A 66 7.203 -1.723 5.407 1.00 0.00 O ATOM 1013 CB ARG A 66 5.460 1.079 5.126 1.00 0.00 C ATOM 1014 CG ARG A 66 5.408 1.672 3.715 1.00 0.00 C ATOM 1015 CD ARG A 66 4.622 2.987 3.740 1.00 0.00 C ATOM 1016 NE ARG A 66 4.628 3.420 5.165 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.655 4.158 5.627 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.532 5.396 5.236 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.805 3.656 6.482 1.00 0.00 N ATOM 0 H ARG A 66 5.669 -1.287 6.968 1.00 0.00 H new ATOM 0 HA ARG A 66 4.410 -0.691 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.710 1.554 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.431 1.278 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.418 1.847 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.936 0.967 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.087 3.736 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.604 2.844 3.376 1.00 0.00 H new ATOM 0 HE ARG A 66 5.392 3.140 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.196 5.788 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.772 5.972 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.901 2.688 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.045 4.232 6.843 1.00 0.00 H new ATOM 1033 N PHE A 67 6.755 -1.185 3.325 1.00 0.00 N ATOM 1034 CA PHE A 67 7.962 -1.925 2.839 1.00 0.00 C ATOM 1035 C PHE A 67 8.575 -1.238 1.621 1.00 0.00 C ATOM 1036 O PHE A 67 8.073 -0.239 1.136 1.00 0.00 O ATOM 1037 CB PHE A 67 7.436 -3.312 2.437 1.00 0.00 C ATOM 1038 CG PHE A 67 7.152 -3.343 0.951 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.682 -2.196 0.294 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.357 -4.526 0.232 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.421 -2.240 -1.084 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.094 -4.565 -1.142 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.627 -3.424 -1.799 1.00 0.00 C ATOM 0 H PHE A 67 6.195 -0.737 2.600 1.00 0.00 H new ATOM 0 HA PHE A 67 8.739 -1.968 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.169 -4.077 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.528 -3.542 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.522 -1.282 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.718 -5.409 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.061 -1.358 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.252 -5.479 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.425 -3.456 -2.859 1.00 0.00 H new ATOM 1053 N VAL A 68 9.661 -1.763 1.133 1.00 0.00 N ATOM 1054 CA VAL A 68 10.306 -1.179 -0.068 1.00 0.00 C ATOM 1055 C VAL A 68 9.724 -1.806 -1.328 1.00 0.00 C ATOM 1056 O VAL A 68 9.916 -2.973 -1.584 1.00 0.00 O ATOM 1057 CB VAL A 68 11.797 -1.460 0.070 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.527 -0.913 -1.158 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.325 -0.761 1.328 1.00 0.00 C ATOM 0 H VAL A 68 10.133 -2.580 1.520 1.00 0.00 H new ATOM 0 HA VAL A 68 10.131 -0.106 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 68 11.966 -2.534 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.595 -1.111 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.145 -1.400 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.363 0.162 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.392 -0.958 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.161 0.313 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.798 -1.141 2.203 1.00 0.00 H new ATOM 1069 N GLY A 69 9.039 -1.061 -2.145 1.00 0.00 N ATOM 1070 CA GLY A 69 8.512 -1.673 -3.399 1.00 0.00 C ATOM 1071 C GLY A 69 8.130 -0.586 -4.393 1.00 0.00 C ATOM 1072 O GLY A 69 7.373 0.308 -4.088 1.00 0.00 O ATOM 0 H GLY A 69 8.822 -0.074 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.265 -2.328 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.643 -2.292 -3.173 1.00 0.00 H new ATOM 1076 N ALA A 70 8.605 -0.680 -5.595 1.00 0.00 N ATOM 1077 CA ALA A 70 8.214 0.323 -6.611 1.00 0.00 C ATOM 1078 C ALA A 70 7.015 -0.228 -7.383 1.00 0.00 C ATOM 1079 O ALA A 70 5.888 0.067 -7.045 1.00 0.00 O ATOM 1080 CB ALA A 70 9.448 0.497 -7.483 1.00 0.00 C ATOM 0 H ALA A 70 9.245 -1.405 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 70 7.910 1.287 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.241 1.228 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.280 0.846 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.709 -0.458 -7.939 1.00 0.00 H new ATOM 1086 N PRO A 71 7.272 -1.055 -8.360 1.00 0.00 N ATOM 1087 CA PRO A 71 6.152 -1.665 -9.104 1.00 0.00 C ATOM 1088 C PRO A 71 5.654 -2.886 -8.321 1.00 0.00 C ATOM 1089 O PRO A 71 5.028 -3.775 -8.867 1.00 0.00 O ATOM 1090 CB PRO A 71 6.808 -2.131 -10.402 1.00 0.00 C ATOM 1091 CG PRO A 71 8.256 -2.338 -10.066 1.00 0.00 C ATOM 1092 CD PRO A 71 8.582 -1.468 -8.871 1.00 0.00 C ATOM 0 HA PRO A 71 5.309 -0.993 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.353 -3.053 -10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.690 -1.388 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.450 -3.386 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.887 -2.074 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.147 -2.019 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.187 -0.608 -9.158 1.00 0.00 H new ATOM 1100 N SER A 72 5.904 -2.916 -7.032 1.00 0.00 N ATOM 1101 CA SER A 72 5.443 -4.076 -6.208 1.00 0.00 C ATOM 1102 C SER A 72 4.148 -3.746 -5.455 1.00 0.00 C ATOM 1103 O SER A 72 4.094 -3.795 -4.241 1.00 0.00 O ATOM 1104 CB SER A 72 6.577 -4.328 -5.219 1.00 0.00 C ATOM 1105 OG SER A 72 7.382 -3.162 -5.121 1.00 0.00 O ATOM 0 H SER A 72 6.405 -2.190 -6.519 1.00 0.00 H new ATOM 0 HA SER A 72 5.225 -4.946 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.171 -4.587 -4.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.181 -5.174 -5.548 1.00 0.00 H new ATOM 0 HG SER A 72 8.254 -3.331 -5.535 1.00 0.00 H new ATOM 1111 N ARG A 73 3.099 -3.453 -6.164 1.00 0.00 N ATOM 1112 CA ARG A 73 1.796 -3.159 -5.502 1.00 0.00 C ATOM 1113 C ARG A 73 1.213 -4.444 -4.902 1.00 0.00 C ATOM 1114 O ARG A 73 0.440 -4.412 -3.962 1.00 0.00 O ATOM 1115 CB ARG A 73 0.896 -2.577 -6.589 1.00 0.00 C ATOM 1116 CG ARG A 73 1.687 -1.532 -7.381 1.00 0.00 C ATOM 1117 CD ARG A 73 1.830 -1.999 -8.829 1.00 0.00 C ATOM 1118 NE ARG A 73 2.457 -0.854 -9.543 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.231 -0.677 -10.815 1.00 0.00 C ATOM 1120 NH1 ARG A 73 1.955 -1.700 -11.578 1.00 0.00 N ATOM 1121 NH2 ARG A 73 2.281 0.522 -11.327 1.00 0.00 N ATOM 0 H ARG A 73 3.085 -3.403 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 73 1.899 -2.454 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.547 -3.368 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.012 -2.122 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.177 -0.569 -7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.671 -1.388 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.450 -2.893 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.861 -2.250 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 73 3.063 -0.208 -9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.916 -2.638 -11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.778 -1.561 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.497 1.322 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.104 0.659 -12.322 1.00 0.00 H new ATOM 1135 N GLU A 74 1.557 -5.577 -5.460 1.00 0.00 N ATOM 1136 CA GLU A 74 1.011 -6.859 -4.938 1.00 0.00 C ATOM 1137 C GLU A 74 1.216 -6.917 -3.426 1.00 0.00 C ATOM 1138 O GLU A 74 0.345 -7.328 -2.685 1.00 0.00 O ATOM 1139 CB GLU A 74 1.808 -7.959 -5.635 1.00 0.00 C ATOM 1140 CG GLU A 74 0.842 -8.894 -6.371 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.123 -9.525 -5.366 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.343 -10.241 -4.496 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.313 -9.282 -5.485 1.00 0.00 O ATOM 0 H GLU A 74 2.192 -5.666 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.057 -6.967 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.516 -7.521 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.391 -8.521 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.286 -8.338 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.399 -9.671 -6.894 1.00 0.00 H new ATOM 1150 N GLU A 75 2.367 -6.509 -2.966 1.00 0.00 N ATOM 1151 CA GLU A 75 2.618 -6.538 -1.504 1.00 0.00 C ATOM 1152 C GLU A 75 1.393 -5.988 -0.784 1.00 0.00 C ATOM 1153 O GLU A 75 1.020 -6.447 0.278 1.00 0.00 O ATOM 1154 CB GLU A 75 3.824 -5.624 -1.299 1.00 0.00 C ATOM 1155 CG GLU A 75 4.993 -6.442 -0.754 1.00 0.00 C ATOM 1156 CD GLU A 75 5.293 -6.010 0.681 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.686 -5.050 1.130 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.126 -6.643 1.307 1.00 0.00 O ATOM 0 H GLU A 75 3.137 -6.160 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 75 2.806 -7.539 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.103 -5.154 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.573 -4.822 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.751 -7.505 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.874 -6.299 -1.380 1.00 0.00 H new ATOM 1165 N LEU A 76 0.742 -5.026 -1.377 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.483 -4.466 -0.753 1.00 0.00 C ATOM 1167 C LEU A 76 -1.549 -5.558 -0.693 1.00 0.00 C ATOM 1168 O LEU A 76 -2.227 -5.728 0.298 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.923 -3.333 -1.680 1.00 0.00 C ATOM 1170 CG LEU A 76 0.039 -2.153 -1.534 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.370 -2.496 -2.204 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.568 -0.919 -2.205 1.00 0.00 C ATOM 0 H LEU A 76 1.008 -4.605 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.318 -4.105 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.937 -3.679 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.938 -3.021 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 76 0.208 -1.947 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.057 -1.656 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.801 -3.377 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.203 -2.700 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.115 -0.076 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.735 -1.125 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.518 -0.676 -1.729 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.688 -6.316 -1.749 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.706 -7.406 -1.751 1.00 0.00 C ATOM 1186 C PHE A 77 -2.430 -8.363 -0.585 1.00 0.00 C ATOM 1187 O PHE A 77 -3.336 -8.899 0.025 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.528 -8.115 -3.100 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.345 -9.597 -2.872 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.177 -10.074 -2.269 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.348 -10.493 -3.261 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.011 -11.448 -2.053 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.181 -11.866 -3.045 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.012 -12.343 -2.441 1.00 0.00 C ATOM 0 H PHE A 77 -1.143 -6.228 -2.607 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.724 -7.036 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.398 -7.939 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.664 -7.708 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.403 -9.383 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.250 -10.125 -3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.109 -11.816 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.955 -12.558 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.883 -13.402 -2.275 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.182 -8.558 -0.261 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.826 -9.449 0.875 1.00 0.00 C ATOM 1206 C GLU A 78 -0.940 -8.693 2.203 1.00 0.00 C ATOM 1207 O GLU A 78 -1.212 -9.274 3.238 1.00 0.00 O ATOM 1208 CB GLU A 78 0.611 -9.905 0.607 1.00 0.00 C ATOM 1209 CG GLU A 78 0.987 -11.007 1.600 1.00 0.00 C ATOM 1210 CD GLU A 78 1.355 -12.282 0.837 1.00 0.00 C ATOM 1211 OE1 GLU A 78 0.446 -12.996 0.441 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.536 -12.524 0.663 1.00 0.00 O ATOM 0 H GLU A 78 -0.388 -8.134 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.498 -10.304 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.703 -10.274 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.296 -9.063 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.827 -10.685 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.153 -11.203 2.275 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.703 -7.407 2.185 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.764 -6.618 3.447 1.00 0.00 C ATOM 1221 C ALA A 79 -2.220 -6.440 3.880 1.00 0.00 C ATOM 1222 O ALA A 79 -2.528 -6.427 5.053 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.134 -5.270 3.104 1.00 0.00 C ATOM 0 H ALA A 79 -0.470 -6.871 1.349 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.244 -7.108 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.142 -4.630 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.894 -5.422 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.704 -4.795 2.306 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.119 -6.341 2.946 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.557 -6.201 3.317 1.00 0.00 C ATOM 1231 C ILE A 80 -5.028 -7.507 3.965 1.00 0.00 C ATOM 1232 O ILE A 80 -5.733 -7.500 4.955 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.294 -5.925 2.012 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.038 -4.476 1.585 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.792 -6.132 2.230 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.655 -4.031 2.070 1.00 0.00 C ATOM 0 H ILE A 80 -2.925 -6.351 1.945 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.738 -5.399 4.032 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.939 -6.603 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.098 -4.391 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.807 -3.824 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.326 -5.936 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.975 -7.160 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.145 -5.448 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.477 -3.000 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.611 -4.100 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.892 -4.676 1.634 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.626 -8.622 3.399 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.000 -9.928 3.967 1.00 0.00 C ATOM 1250 C ASN A 81 -4.322 -10.059 5.309 1.00 0.00 C ATOM 1251 O ASN A 81 -4.781 -10.791 6.183 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.530 -10.994 3.002 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.056 -12.217 3.785 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.781 -12.750 4.605 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.861 -12.678 3.570 1.00 0.00 N ATOM 0 H ASN A 81 -4.049 -8.668 2.559 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.076 -10.029 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.340 -11.272 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.719 -10.608 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.527 -13.490 4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.257 -12.228 2.882 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.239 -9.356 5.544 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.598 -9.594 6.870 1.00 0.00 C ATOM 1264 C ASP A 82 -2.981 -8.467 7.808 1.00 0.00 C ATOM 1265 O ASP A 82 -3.179 -8.667 8.972 1.00 0.00 O ATOM 1266 CB ASP A 82 -1.124 -9.181 6.564 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.658 -8.134 7.612 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -1.083 -6.984 7.524 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.159 -8.472 8.460 1.00 0.00 O ATOM 0 H ASP A 82 -2.798 -8.676 4.924 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.820 -10.585 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.475 -10.056 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.052 -8.764 5.559 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.547 -7.429 7.221 1.00 0.00 N ATOM 1275 CA GLU A 83 -4.259 -6.424 8.071 1.00 0.00 C ATOM 1276 C GLU A 83 -5.631 -7.036 8.519 1.00 0.00 C ATOM 1277 O GLU A 83 -5.938 -7.087 9.694 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.546 -5.256 7.127 1.00 0.00 C ATOM 1279 CG GLU A 83 -6.040 -4.888 7.151 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.464 -4.581 8.587 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.056 -3.551 9.097 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -7.189 -5.382 9.154 1.00 0.00 O ATOM 0 H GLU A 83 -3.545 -7.242 6.218 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.685 -6.133 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.949 -4.392 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.248 -5.521 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.223 -4.023 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.635 -5.710 6.752 1.00 0.00 H new ATOM 1289 N MET A 84 -6.432 -7.487 7.596 1.00 0.00 N ATOM 1290 CA MET A 84 -7.742 -8.094 7.962 1.00 0.00 C ATOM 1291 C MET A 84 -7.547 -9.538 8.444 1.00 0.00 C ATOM 1292 O MET A 84 -8.373 -10.084 9.152 1.00 0.00 O ATOM 1293 CB MET A 84 -8.550 -8.058 6.665 1.00 0.00 C ATOM 1294 CG MET A 84 -9.395 -9.328 6.540 1.00 0.00 C ATOM 1295 SD MET A 84 -8.734 -10.367 5.213 1.00 0.00 S ATOM 1296 CE MET A 84 -9.785 -9.736 3.881 1.00 0.00 C ATOM 0 H MET A 84 -6.234 -7.461 6.596 1.00 0.00 H new ATOM 0 HA MET A 84 -8.239 -7.563 8.774 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.195 -7.179 6.653 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.879 -7.972 5.811 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.388 -9.876 7.482 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.432 -9.068 6.330 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.968 -10.529 3.156 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.734 -9.397 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.286 -8.901 3.388 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.460 -10.160 8.071 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.220 -11.568 8.505 1.00 0.00 C ATOM 1308 C GLU A 85 -4.717 -11.846 8.587 1.00 0.00 C ATOM 1309 O GLU A 85 -4.289 -12.848 8.039 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.867 -12.436 7.422 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.778 -13.908 7.829 1.00 0.00 C ATOM 1312 CD GLU A 85 -8.075 -14.328 8.522 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.996 -14.722 7.824 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -8.128 -14.248 9.738 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.020 -11.050 9.194 1.00 0.00 O ATOM 0 H GLU A 85 -5.729 -9.755 7.486 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.636 -11.771 9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.909 -12.148 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.364 -12.280 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.606 -14.529 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.931 -14.060 8.498 1.00 0.00 H new