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+ 164:sc= -1.78 (180deg=0) USER MOD Set 1.2: A 84 MET CE :methyl -146:sc= -5.42 (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! USER MOD Single : A 1 MET CE :methyl -116:sc= -0.319 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.735! (180deg=-1.02!) USER MOD Single : A 4 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.9!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.445 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 13 CYS SG : rot -110:sc= -1.29 USER MOD Single : A 15 TYR OH : rot 131:sc= -2.52! 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= -0.0133 (180deg=-0.251) USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= 0.823 (180deg=-1.07!) USER MOD Single : A 42 MET CE :methyl -136:sc= -0.224 (180deg=-0.996) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= -11.3! (180deg=-15.3!) USER MOD Single : A 51 TYR OH : rot -153:sc= -9.36! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -14.2! C(o=-14!,f=-28!) USER MOD Single : A 72 SER OG : rot -110:sc= -4.69! USER MOD Single : A 81 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.408 -2.498 9.495 1.00 0.00 N ATOM 2 CA MET A 1 -10.973 -1.918 8.191 1.00 0.00 C ATOM 3 C MET A 1 -11.099 -2.962 7.081 1.00 0.00 C ATOM 4 O MET A 1 -10.515 -4.025 7.146 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 -9.317 -4.074 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 -1.815 10.258 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.426 -2.709 9.459 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.879 -3.374 9.679 1.00 0.00 H new ATOM 0 HA MET A 1 -11.583 -1.065 7.894 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 -8.573 -3.121 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.612 -2.537 8.625 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.864 -4.300 11.270 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.012 -2.604 10.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.330 -3.373 11.668 1.00 0.00 H new ATOM 20 N VAL A 2 -11.856 -2.665 6.062 1.00 0.00 N ATOM 21 CA VAL A 2 -12.019 -3.642 4.950 1.00 0.00 C ATOM 22 C VAL A 2 -10.812 -3.575 4.021 1.00 0.00 C ATOM 23 O VAL A 2 -9.823 -4.257 4.207 1.00 0.00 O ATOM 24 CB VAL A 2 -13.274 -3.194 4.202 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.324 -1.664 4.163 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.227 -3.735 2.770 1.00 0.00 C ATOM 0 H VAL A 2 -12.368 -1.790 5.951 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.101 -4.666 5.313 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.159 -3.575 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.219 -1.343 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.349 -1.275 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.440 -1.284 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.120 -3.418 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.342 -3.349 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.185 -4.824 2.794 1.00 0.00 H new ATOM 36 N VAL A 3 -10.889 -2.752 3.019 1.00 0.00 N ATOM 37 CA VAL A 3 -9.753 -2.631 2.071 1.00 0.00 C ATOM 38 C VAL A 3 -8.762 -1.557 2.531 1.00 0.00 C ATOM 39 O VAL A 3 -9.053 -0.380 2.474 1.00 0.00 O ATOM 40 CB VAL A 3 -10.420 -2.234 0.750 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.364 -1.790 -0.261 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.180 -3.444 0.201 1.00 0.00 C ATOM 0 H VAL A 3 -11.691 -2.156 2.815 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.173 -3.551 1.991 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.107 -1.406 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.850 -1.510 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.819 -0.933 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.669 -2.609 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.660 -3.176 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.483 -4.265 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.938 -3.754 0.920 1.00 0.00 H new ATOM 52 N ASN A 4 -7.579 -1.932 2.948 1.00 0.00 N ATOM 53 CA ASN A 4 -6.594 -0.883 3.347 1.00 0.00 C ATOM 54 C ASN A 4 -5.311 -1.064 2.530 1.00 0.00 C ATOM 55 O ASN A 4 -4.518 -1.960 2.755 1.00 0.00 O ATOM 56 CB ASN A 4 -6.333 -1.172 4.818 1.00 0.00 C ATOM 57 CG ASN A 4 -7.283 -0.351 5.687 1.00 0.00 C ATOM 58 OD1 ASN A 4 -8.387 -0.052 5.278 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.906 0.013 6.881 1.00 0.00 N ATOM 0 H ASN A 4 -7.258 -2.897 3.028 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.946 0.135 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.470 -2.235 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.299 -0.931 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.539 0.550 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.978 -0.239 7.222 1.00 0.00 H new ATOM 66 N ILE A 5 -5.100 -0.186 1.604 1.00 0.00 N ATOM 67 CA ILE A 5 -3.877 -0.235 0.756 1.00 0.00 C ATOM 68 C ILE A 5 -3.053 1.051 0.873 1.00 0.00 C ATOM 69 O ILE A 5 -3.591 2.135 0.828 1.00 0.00 O ATOM 70 CB ILE A 5 -4.370 -0.484 -0.672 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.834 -0.916 -0.617 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.532 -1.607 -1.301 1.00 0.00 C ATOM 73 CD1 ILE A 5 -5.929 -2.349 -0.074 1.00 0.00 C ATOM 0 H ILE A 5 -5.734 0.583 1.390 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.201 -1.028 1.076 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.273 0.423 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.400 -0.237 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.277 -0.863 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.876 -1.791 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.483 -1.311 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.641 -2.517 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.974 -2.655 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.377 -3.024 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.503 -2.387 0.928 1.00 0.00 H new ATOM 85 N GLU A 6 -1.766 0.990 0.953 1.00 0.00 N ATOM 86 CA GLU A 6 -1.071 2.283 1.005 1.00 0.00 C ATOM 87 C GLU A 6 0.027 2.210 -0.031 1.00 0.00 C ATOM 88 O GLU A 6 0.915 1.365 0.030 1.00 0.00 O ATOM 89 CB GLU A 6 -0.455 2.339 2.425 1.00 0.00 C ATOM 90 CG GLU A 6 -0.182 3.777 2.879 1.00 0.00 C ATOM 91 CD GLU A 6 -0.061 3.826 4.409 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.007 3.431 5.073 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.973 4.262 4.889 1.00 0.00 O ATOM 0 H GLU A 6 -1.191 0.148 0.983 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.704 3.150 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.131 1.858 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.476 1.772 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.736 4.145 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.988 4.432 2.548 1.00 0.00 H new ATOM 100 N VAL A 7 -0.040 3.109 -0.994 1.00 0.00 N ATOM 101 CA VAL A 7 0.932 3.093 -2.107 1.00 0.00 C ATOM 102 C VAL A 7 1.786 4.305 -1.952 1.00 0.00 C ATOM 103 O VAL A 7 1.351 5.431 -2.136 1.00 0.00 O ATOM 104 CB VAL A 7 0.105 3.245 -3.421 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.772 2.026 -3.707 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.809 4.488 -3.317 1.00 0.00 C ATOM 0 H VAL A 7 -0.737 3.852 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 7 1.537 2.187 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 7 0.821 3.348 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.326 2.185 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.143 1.141 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.473 1.881 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.386 4.593 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.489 4.370 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.197 5.378 -3.169 1.00 0.00 H new ATOM 116 N PHE A 8 3.005 4.056 -1.543 1.00 0.00 N ATOM 117 CA PHE A 8 3.948 5.155 -1.298 1.00 0.00 C ATOM 118 C PHE A 8 5.127 5.051 -2.255 1.00 0.00 C ATOM 119 O PHE A 8 6.159 4.501 -1.935 1.00 0.00 O ATOM 120 CB PHE A 8 4.402 4.907 0.162 1.00 0.00 C ATOM 121 CG PHE A 8 5.763 5.516 0.398 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.870 6.872 0.689 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.919 4.726 0.320 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.122 7.442 0.899 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.175 5.306 0.532 1.00 0.00 C ATOM 126 CZ PHE A 8 8.273 6.662 0.821 1.00 0.00 C ATOM 0 H PHE A 8 3.378 3.122 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 8 3.517 6.145 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.678 5.338 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.435 3.836 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.981 7.483 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.840 3.672 0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.201 8.495 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.067 4.700 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.242 7.111 0.985 1.00 0.00 H new ATOM 136 N THR A 9 4.983 5.627 -3.414 1.00 0.00 N ATOM 137 CA THR A 9 6.089 5.603 -4.410 1.00 0.00 C ATOM 138 C THR A 9 6.342 7.017 -4.929 1.00 0.00 C ATOM 139 O THR A 9 7.468 7.465 -5.008 1.00 0.00 O ATOM 140 CB THR A 9 5.596 4.691 -5.540 1.00 0.00 C ATOM 141 OG1 THR A 9 4.712 3.711 -5.011 1.00 0.00 O ATOM 142 CG2 THR A 9 6.790 3.999 -6.199 1.00 0.00 C ATOM 0 H THR A 9 4.141 6.117 -3.717 1.00 0.00 H new ATOM 0 HA THR A 9 7.025 5.241 -3.985 1.00 0.00 H new ATOM 0 HB THR A 9 5.070 5.290 -6.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.274 3.234 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.438 3.351 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.465 4.750 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.319 3.402 -5.457 1.00 0.00 H new ATOM 150 N SER A 10 5.305 7.729 -5.275 1.00 0.00 N ATOM 151 CA SER A 10 5.496 9.119 -5.782 1.00 0.00 C ATOM 152 C SER A 10 4.150 9.755 -6.134 1.00 0.00 C ATOM 153 O SER A 10 3.226 9.079 -6.541 1.00 0.00 O ATOM 154 CB SER A 10 6.363 8.967 -7.030 1.00 0.00 C ATOM 155 OG SER A 10 6.781 10.253 -7.466 1.00 0.00 O ATOM 0 H SER A 10 4.337 7.411 -5.229 1.00 0.00 H new ATOM 0 HA SER A 10 5.959 9.767 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.230 8.344 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.802 8.467 -7.819 1.00 0.00 H new ATOM 0 HG SER A 10 7.339 10.162 -8.266 1.00 0.00 H new ATOM 161 N PRO A 11 4.090 11.048 -5.959 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 12.206 -7.730 1.00 0.00 C ATOM 164 O PRO A 11 1.746 12.404 -8.294 1.00 0.00 O ATOM 165 CB PRO A 11 2.993 13.041 -5.367 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 5.161 11.917 -5.469 1.00 0.00 C ATOM 0 HA PRO A 11 1.948 11.239 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.562 13.918 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.465 12.905 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.853 14.024 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.660 13.502 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.935 12.058 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.647 11.492 -4.590 1.00 0.00 H new ATOM 175 N THR A 12 3.942 12.334 -8.363 1.00 0.00 N ATOM 176 CA THR A 12 3.954 12.728 -9.802 1.00 0.00 C ATOM 177 C THR A 12 3.606 11.520 -10.676 1.00 0.00 C ATOM 178 O THR A 12 3.701 11.563 -11.891 1.00 0.00 O ATOM 179 CB THR A 12 5.386 13.208 -10.059 1.00 0.00 C ATOM 180 OG1 THR A 12 5.891 13.835 -8.885 1.00 0.00 O ATOM 181 CG2 THR A 12 5.393 14.205 -11.215 1.00 0.00 C ATOM 0 H THR A 12 4.861 12.183 -7.947 1.00 0.00 H new ATOM 0 HA THR A 12 3.223 13.501 -10.038 1.00 0.00 H new ATOM 0 HB THR A 12 6.015 12.355 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.808 14.141 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.413 14.545 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.006 13.723 -12.113 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.765 15.059 -10.962 1.00 0.00 H new ATOM 189 N CYS A 13 3.202 10.438 -10.057 1.00 0.00 N ATOM 190 CA CYS A 13 2.823 9.239 -10.846 1.00 0.00 C ATOM 191 C CYS A 13 1.786 8.393 -10.083 1.00 0.00 C ATOM 192 O CYS A 13 1.286 8.795 -9.049 1.00 0.00 O ATOM 193 CB CYS A 13 4.135 8.496 -11.066 1.00 0.00 C ATOM 194 SG CYS A 13 4.492 8.525 -12.841 1.00 0.00 S ATOM 0 H CYS A 13 3.121 10.339 -9.045 1.00 0.00 H new ATOM 0 HA CYS A 13 2.346 9.485 -11.795 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.941 8.969 -10.506 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.058 7.469 -10.708 1.00 0.00 H new ATOM 0 HG CYS A 13 4.352 7.329 -13.331 1.00 0.00 H new ATOM 200 N PRO A 14 1.521 7.226 -10.613 1.00 0.00 N ATOM 201 CA PRO A 14 0.599 6.274 -9.952 1.00 0.00 C ATOM 202 C PRO A 14 1.373 5.445 -8.910 1.00 0.00 C ATOM 203 O PRO A 14 2.150 4.574 -9.253 1.00 0.00 O ATOM 204 CB PRO A 14 0.129 5.382 -11.090 1.00 0.00 C ATOM 205 CG PRO A 14 1.206 5.453 -12.132 1.00 0.00 C ATOM 206 CD PRO A 14 2.020 6.705 -11.887 1.00 0.00 C ATOM 0 HA PRO A 14 -0.224 6.760 -9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.019 4.357 -10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.825 5.726 -11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.843 4.570 -12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.768 5.473 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.085 6.481 -11.834 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.886 7.429 -12.691 1.00 0.00 H new ATOM 214 N TYR A 15 1.167 5.705 -7.646 1.00 0.00 N ATOM 215 CA TYR A 15 1.887 4.917 -6.599 1.00 0.00 C ATOM 216 C TYR A 15 1.747 3.421 -6.890 1.00 0.00 C ATOM 217 O TYR A 15 2.615 2.809 -7.476 1.00 0.00 O ATOM 218 CB TYR A 15 1.190 5.277 -5.283 1.00 0.00 C ATOM 219 CG TYR A 15 0.960 6.769 -5.220 1.00 0.00 C ATOM 220 CD1 TYR A 15 1.969 7.614 -4.743 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.263 7.306 -5.640 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.755 8.997 -4.687 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.476 8.689 -5.583 1.00 0.00 C ATOM 224 CZ TYR A 15 0.533 9.535 -5.107 1.00 0.00 C ATOM 225 OH TYR A 15 0.322 10.897 -5.048 1.00 0.00 O ATOM 0 H TYR A 15 0.536 6.424 -7.293 1.00 0.00 H new ATOM 0 HA TYR A 15 2.953 5.141 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.239 4.749 -5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.800 4.957 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.912 7.200 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.042 6.654 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.534 9.649 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.419 9.103 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.033 11.211 -5.906 1.00 0.00 H new ATOM 235 N CYS A 16 0.654 2.832 -6.488 1.00 0.00 N ATOM 236 CA CYS A 16 0.441 1.373 -6.746 1.00 0.00 C ATOM 237 C CYS A 16 -1.057 1.061 -6.741 1.00 0.00 C ATOM 238 O CYS A 16 -1.496 0.117 -6.112 1.00 0.00 O ATOM 239 CB CYS A 16 1.143 0.656 -5.591 1.00 0.00 C ATOM 240 SG CYS A 16 2.929 0.636 -5.883 1.00 0.00 S ATOM 0 H CYS A 16 -0.105 3.297 -5.990 1.00 0.00 H new ATOM 0 HA CYS A 16 0.834 1.059 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.924 1.161 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.768 -0.363 -5.501 1.00 0.00 H new ATOM 0 HG CYS A 16 3.249 1.612 -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 1.705 -7.529 1.00 0.00 C ATOM 248 C PRO A 17 -3.632 0.497 -8.399 1.00 0.00 C ATOM 249 O PRO A 17 -4.713 0.423 -8.946 1.00 0.00 O ATOM 250 CB PRO A 17 -3.740 2.999 -8.186 1.00 0.00 C ATOM 251 CG PRO A 17 -2.558 3.494 -8.957 1.00 0.00 C ATOM 252 CD PRO A 17 -1.329 3.033 -8.220 1.00 0.00 C ATOM 0 HA PRO A 17 -3.725 1.524 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.593 2.821 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.058 3.727 -7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.568 3.101 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.576 4.581 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.530 2.757 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.935 3.816 -7.572 1.00 0.00 H new ATOM 260 N MET A 18 -2.745 -0.449 -8.529 1.00 0.00 N ATOM 261 CA MET A 18 -3.053 -1.648 -9.365 1.00 0.00 C ATOM 262 C MET A 18 -3.222 -2.881 -8.479 1.00 0.00 C ATOM 263 O MET A 18 -4.309 -3.401 -8.323 1.00 0.00 O ATOM 264 CB MET A 18 -1.841 -1.815 -10.282 1.00 0.00 C ATOM 265 CG MET A 18 -2.246 -2.612 -11.523 1.00 0.00 C ATOM 266 SD MET A 18 -3.693 -1.842 -12.289 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 -1.822 -0.447 -8.095 1.00 0.00 H new ATOM 0 HA MET A 18 -3.979 -1.530 -9.928 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.455 -0.838 -10.574 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.039 -2.329 -9.752 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.420 -2.645 -12.233 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.472 -3.643 -11.249 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 -3.854 -13.603 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.670 -4.028 -12.078 1.00 0.00 H new ATOM 277 N ALA A 19 -2.157 -3.355 -7.892 1.00 0.00 N ATOM 278 CA ALA A 19 -2.270 -4.548 -7.015 1.00 0.00 C ATOM 279 C ALA A 19 -3.319 -4.285 -5.939 1.00 0.00 C ATOM 280 O ALA A 19 -3.864 -5.198 -5.353 1.00 0.00 O ATOM 281 CB ALA A 19 -0.885 -4.715 -6.393 1.00 0.00 C ATOM 0 H ALA A 19 -1.218 -2.967 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.575 -5.444 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.886 -5.579 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.148 -4.864 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.631 -3.821 -5.824 1.00 0.00 H new ATOM 287 N ILE A 20 -3.623 -3.038 -5.691 1.00 0.00 N ATOM 288 CA ILE A 20 -4.654 -2.717 -4.663 1.00 0.00 C ATOM 289 C ILE A 20 -6.031 -3.107 -5.196 1.00 0.00 C ATOM 290 O ILE A 20 -6.859 -3.648 -4.487 1.00 0.00 O ATOM 291 CB ILE A 20 -4.560 -1.206 -4.463 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.213 -0.494 -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 -3.204 -2.232 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.501 -3.253 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.075 -0.928 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.602 -0.620 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.186 -0.937 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.024 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 -2.575 -1.071 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.836 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 -6.272 -2.852 -6.453 1.00 0.00 N ATOM 307 CA GLU A 21 -7.581 -3.226 -7.048 1.00 0.00 C ATOM 308 C GLU A 21 -7.831 -4.711 -6.785 1.00 0.00 C ATOM 309 O GLU A 21 -8.943 -5.133 -6.539 1.00 0.00 O ATOM 310 CB GLU A 21 -7.435 -2.940 -8.545 1.00 0.00 C ATOM 311 CG GLU A 21 -8.744 -3.287 -9.260 1.00 0.00 C ATOM 312 CD GLU A 21 -9.721 -2.115 -9.139 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.287 -0.986 -9.299 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.889 -2.368 -8.891 1.00 0.00 O ATOM 0 H GLU A 21 -5.617 -2.401 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.422 -2.674 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.189 -1.890 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.615 -3.526 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.550 -3.505 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.182 -4.185 -8.824 1.00 0.00 H new ATOM 321 N VAL A 22 -6.791 -5.500 -6.809 1.00 0.00 N ATOM 322 CA VAL A 22 -6.948 -6.958 -6.534 1.00 0.00 C ATOM 323 C VAL A 22 -7.310 -7.147 -5.062 1.00 0.00 C ATOM 324 O VAL A 22 -8.210 -7.889 -4.713 1.00 0.00 O ATOM 325 CB VAL A 22 -5.584 -7.569 -6.857 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.499 -8.969 -6.248 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.419 -7.666 -8.376 1.00 0.00 C ATOM 0 H VAL A 22 -5.837 -5.197 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.736 -7.428 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.795 -6.942 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.527 -9.407 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.622 -8.904 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.287 -9.596 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.447 -8.101 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.207 -8.296 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.485 -6.670 -8.813 1.00 0.00 H new ATOM 337 N VAL A 23 -6.623 -6.446 -4.203 1.00 0.00 N ATOM 338 CA VAL A 23 -6.917 -6.523 -2.742 1.00 0.00 C ATOM 339 C VAL A 23 -8.307 -5.948 -2.472 1.00 0.00 C ATOM 340 O VAL A 23 -9.027 -6.398 -1.598 1.00 0.00 O ATOM 341 CB VAL A 23 -5.829 -5.704 -2.051 1.00 0.00 C ATOM 342 CG1 VAL A 23 -5.455 -6.403 -0.740 1.00 0.00 C ATOM 343 CG2 VAL A 23 -4.600 -5.637 -2.959 1.00 0.00 C ATOM 0 H VAL A 23 -5.861 -5.815 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.917 -7.548 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.186 -4.694 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.678 -5.832 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.334 -6.469 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.086 -7.406 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.819 -5.053 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.234 -6.646 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.870 -5.164 -3.903 1.00 0.00 H new ATOM 353 N ASP A 24 -8.682 -4.946 -3.225 1.00 0.00 N ATOM 354 CA ASP A 24 -10.023 -4.332 -3.045 1.00 0.00 C ATOM 355 C ASP A 24 -11.100 -5.311 -3.507 1.00 0.00 C ATOM 356 O ASP A 24 -12.154 -5.438 -2.912 1.00 0.00 O ATOM 357 CB ASP A 24 -10.001 -3.086 -3.931 1.00 0.00 C ATOM 358 CG ASP A 24 -10.957 -2.039 -3.358 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.129 -2.090 -3.692 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.500 -1.207 -2.593 1.00 0.00 O ATOM 0 H ASP A 24 -8.111 -4.528 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.242 -4.084 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.990 -2.682 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.294 -3.344 -4.948 1.00 0.00 H new ATOM 365 N GLU A 25 -10.817 -6.002 -4.571 1.00 0.00 N ATOM 366 CA GLU A 25 -11.774 -6.992 -5.117 1.00 0.00 C ATOM 367 C GLU A 25 -12.069 -8.068 -4.071 1.00 0.00 C ATOM 368 O GLU A 25 -13.205 -8.433 -3.837 1.00 0.00 O ATOM 369 CB GLU A 25 -11.045 -7.587 -6.322 1.00 0.00 C ATOM 370 CG GLU A 25 -11.799 -7.231 -7.601 1.00 0.00 C ATOM 371 CD GLU A 25 -12.793 -8.343 -7.932 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.455 -9.495 -7.715 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.875 -8.024 -8.395 1.00 0.00 O ATOM 0 H GLU A 25 -9.945 -5.919 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.734 -6.554 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.026 -7.203 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.974 -8.670 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.325 -6.284 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.097 -7.099 -8.425 1.00 0.00 H new ATOM 380 N ALA A 26 -11.045 -8.578 -3.442 1.00 0.00 N ATOM 381 CA ALA A 26 -11.251 -9.628 -2.408 1.00 0.00 C ATOM 382 C ALA A 26 -11.736 -9.018 -1.095 1.00 0.00 C ATOM 383 O ALA A 26 -12.570 -9.581 -0.414 1.00 0.00 O ATOM 384 CB ALA A 26 -9.882 -10.271 -2.217 1.00 0.00 C ATOM 0 H ALA A 26 -10.073 -8.311 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.009 -10.349 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.951 -11.059 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.546 -10.698 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.169 -9.516 -1.886 1.00 0.00 H new ATOM 390 N LYS A 27 -11.216 -7.879 -0.721 1.00 0.00 N ATOM 391 CA LYS A 27 -11.654 -7.278 0.565 1.00 0.00 C ATOM 392 C LYS A 27 -13.058 -6.707 0.404 1.00 0.00 C ATOM 393 O LYS A 27 -13.781 -6.509 1.365 1.00 0.00 O ATOM 394 CB LYS A 27 -10.652 -6.161 0.826 1.00 0.00 C ATOM 395 CG LYS A 27 -9.534 -6.675 1.729 1.00 0.00 C ATOM 396 CD LYS A 27 -8.698 -7.710 0.971 1.00 0.00 C ATOM 397 CE LYS A 27 -9.485 -9.019 0.840 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.523 -10.083 1.243 1.00 0.00 N ATOM 0 H LYS A 27 -10.518 -7.349 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.686 -7.997 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.237 -5.804 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.151 -5.313 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.902 -5.847 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.956 -7.122 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.441 -7.329 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.761 -7.890 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.365 -9.017 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.836 -9.169 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.041 -10.962 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.845 -10.248 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.010 -9.782 2.096 1.00 0.00 H new ATOM 412 N LYS A 28 -13.472 -6.499 -0.813 1.00 0.00 N ATOM 413 CA LYS A 28 -14.850 -6.014 -1.046 1.00 0.00 C ATOM 414 C LYS A 28 -15.780 -7.182 -0.754 1.00 0.00 C ATOM 415 O LYS A 28 -16.773 -7.059 -0.067 1.00 0.00 O ATOM 416 CB LYS A 28 -14.906 -5.650 -2.529 1.00 0.00 C ATOM 417 CG LYS A 28 -15.170 -4.155 -2.685 1.00 0.00 C ATOM 418 CD LYS A 28 -13.995 -3.511 -3.420 1.00 0.00 C ATOM 419 CE LYS A 28 -13.731 -4.268 -4.725 1.00 0.00 C ATOM 420 NZ LYS A 28 -14.698 -3.697 -5.703 1.00 0.00 N ATOM 0 H LYS A 28 -12.913 -6.645 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.132 -5.161 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.966 -5.915 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.692 -6.221 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.094 -3.993 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.300 -3.692 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.215 -2.465 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.105 -3.529 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.703 -4.131 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.884 -5.340 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.578 -4.166 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.668 -3.849 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.524 -2.677 -5.809 1.00 0.00 H new ATOM 434 N GLU A 29 -15.418 -8.332 -1.260 1.00 0.00 N ATOM 435 CA GLU A 29 -16.229 -9.556 -1.037 1.00 0.00 C ATOM 436 C GLU A 29 -16.591 -9.674 0.438 1.00 0.00 C ATOM 437 O GLU A 29 -17.680 -10.079 0.798 1.00 0.00 O ATOM 438 CB GLU A 29 -15.280 -10.682 -1.438 1.00 0.00 C ATOM 439 CG GLU A 29 -14.786 -11.412 -0.185 1.00 0.00 C ATOM 440 CD GLU A 29 -15.895 -12.321 0.344 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.051 -11.962 0.189 1.00 0.00 O ATOM 442 OE2 GLU A 29 -15.571 -13.359 0.897 1.00 0.00 O ATOM 0 H GLU A 29 -14.581 -8.472 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.165 -9.565 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.790 -11.381 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.433 -10.277 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.899 -12.001 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.497 -10.691 0.579 1.00 0.00 H new ATOM 449 N PHE A 30 -15.688 -9.303 1.285 1.00 0.00 N ATOM 450 CA PHE A 30 -15.948 -9.367 2.742 1.00 0.00 C ATOM 451 C PHE A 30 -16.385 -7.974 3.173 1.00 0.00 C ATOM 452 O PHE A 30 -17.527 -7.757 3.542 1.00 0.00 O ATOM 453 CB PHE A 30 -14.588 -9.737 3.382 1.00 0.00 C ATOM 454 CG PHE A 30 -14.172 -8.658 4.362 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.998 -8.338 5.442 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.964 -7.969 4.184 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.622 -7.334 6.340 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.588 -6.967 5.085 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.418 -6.649 6.162 1.00 0.00 C ATOM 0 H PHE A 30 -14.765 -8.952 1.029 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.715 -10.086 3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.665 -10.696 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.830 -9.850 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.929 -8.867 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.323 -8.212 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.264 -7.088 7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.656 -6.439 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.129 -5.874 6.857 1.00 0.00 H new ATOM 469 N GLY A 31 -15.489 -7.002 3.079 1.00 0.00 N ATOM 470 CA GLY A 31 -15.914 -5.594 3.425 1.00 0.00 C ATOM 471 C GLY A 31 -16.571 -4.887 2.200 1.00 0.00 C ATOM 472 O GLY A 31 -15.922 -4.109 1.544 1.00 0.00 O ATOM 0 H GLY A 31 -14.518 -7.116 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.619 -5.618 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.048 -5.021 3.758 1.00 0.00 H new ATOM 476 N ASP A 32 -17.833 -5.037 1.921 1.00 0.00 N ATOM 477 CA ASP A 32 -18.384 -4.268 0.748 1.00 0.00 C ATOM 478 C ASP A 32 -17.758 -2.855 0.674 1.00 0.00 C ATOM 479 O ASP A 32 -17.639 -2.251 -0.379 1.00 0.00 O ATOM 480 CB ASP A 32 -19.873 -4.185 1.055 1.00 0.00 C ATOM 481 CG ASP A 32 -20.407 -2.793 0.713 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.501 -2.491 -0.464 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.709 -2.056 1.636 1.00 0.00 O ATOM 0 H ASP A 32 -18.493 -5.630 2.424 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.170 -4.739 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.412 -4.940 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.047 -4.400 2.109 1.00 0.00 H new ATOM 488 N LYS A 33 -17.342 -2.349 1.800 1.00 0.00 N ATOM 489 CA LYS A 33 -16.668 -1.009 1.868 1.00 0.00 C ATOM 490 C LYS A 33 -15.181 -1.077 1.469 1.00 0.00 C ATOM 491 O LYS A 33 -14.527 -2.085 1.663 1.00 0.00 O ATOM 492 CB LYS A 33 -16.852 -0.519 3.293 1.00 0.00 C ATOM 493 CG LYS A 33 -18.233 -0.951 3.773 1.00 0.00 C ATOM 494 CD LYS A 33 -18.233 -1.002 5.293 1.00 0.00 C ATOM 495 CE LYS A 33 -18.377 -2.454 5.752 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.796 -2.805 5.473 1.00 0.00 N ATOM 0 H LYS A 33 -17.440 -2.815 2.702 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.113 -0.317 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.078 -0.933 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.757 0.566 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.991 -0.252 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.486 -1.929 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.308 -0.576 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.052 -0.401 5.688 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 -18.145 -2.558 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.167 -3.393 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.361 -1.935 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.854 -3.332 4.579 1.00 0.00 H new ATOM 510 N ILE A 34 -14.622 -0.022 0.941 1.00 0.00 N ATOM 511 CA ILE A 34 -13.180 -0.087 0.592 1.00 0.00 C ATOM 512 C ILE A 34 -12.451 1.133 1.165 1.00 0.00 C ATOM 513 O ILE A 34 -13.033 2.182 1.366 1.00 0.00 O ATOM 514 CB ILE A 34 -13.136 -0.057 -0.930 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.007 -1.480 -1.467 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.939 0.776 -1.399 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.737 -2.444 -0.529 1.00 0.00 C ATOM 0 H ILE A 34 -15.091 0.862 0.741 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.697 -0.977 0.996 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.056 0.392 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.429 -1.542 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.956 -1.757 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.913 0.794 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.034 1.794 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.017 0.334 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.646 -3.461 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.295 -2.389 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.790 -2.170 -0.473 1.00 0.00 H new ATOM 529 N ASP A 35 -11.179 0.999 1.414 1.00 0.00 N ATOM 530 CA ASP A 35 -10.389 2.133 1.968 1.00 0.00 C ATOM 531 C ASP A 35 -8.945 1.990 1.506 1.00 0.00 C ATOM 532 O ASP A 35 -8.093 1.549 2.249 1.00 0.00 O ATOM 533 CB ASP A 35 -10.483 1.994 3.497 1.00 0.00 C ATOM 534 CG ASP A 35 -9.464 2.923 4.167 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.614 3.446 3.464 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.551 3.093 5.372 1.00 0.00 O ATOM 0 H ASP A 35 -10.647 0.143 1.256 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.756 3.106 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.490 2.242 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.294 0.961 3.790 1.00 0.00 H new ATOM 541 N VAL A 36 -8.649 2.363 0.297 1.00 0.00 N ATOM 542 CA VAL A 36 -7.253 2.201 -0.171 1.00 0.00 C ATOM 543 C VAL A 36 -6.555 3.535 0.013 1.00 0.00 C ATOM 544 O VAL A 36 -7.041 4.557 -0.433 1.00 0.00 O ATOM 545 CB VAL A 36 -7.398 1.874 -1.677 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.042 1.974 -2.381 1.00 0.00 C ATOM 547 CG2 VAL A 36 -7.963 0.462 -1.869 1.00 0.00 C ATOM 0 H VAL A 36 -9.301 2.766 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.685 1.435 0.357 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.085 2.599 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.163 1.741 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.651 2.986 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.345 1.267 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.058 0.250 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.290 -0.264 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.943 0.395 -1.397 1.00 0.00 H new ATOM 557 N GLU A 37 -5.427 3.533 0.680 1.00 0.00 N ATOM 558 CA GLU A 37 -4.725 4.814 0.944 1.00 0.00 C ATOM 559 C GLU A 37 -3.493 4.828 0.070 1.00 0.00 C ATOM 560 O GLU A 37 -2.897 3.814 -0.210 1.00 0.00 O ATOM 561 CB GLU A 37 -4.288 4.730 2.418 1.00 0.00 C ATOM 562 CG GLU A 37 -5.481 4.774 3.378 1.00 0.00 C ATOM 563 CD GLU A 37 -5.116 5.613 4.610 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.399 6.589 4.447 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.560 5.268 5.692 1.00 0.00 O ATOM 0 H GLU A 37 -4.968 2.700 1.049 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.334 5.697 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.729 3.808 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.612 5.555 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.349 5.203 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.755 3.763 3.681 1.00 0.00 H new ATOM 572 N LYS A 38 -3.163 5.992 -0.401 1.00 0.00 N ATOM 573 CA LYS A 38 -2.028 6.162 -1.381 1.00 0.00 C ATOM 574 C LYS A 38 -1.170 7.400 -1.122 1.00 0.00 C ATOM 575 O LYS A 38 -1.618 8.526 -1.236 1.00 0.00 O ATOM 576 CB LYS A 38 -2.685 6.256 -2.753 1.00 0.00 C ATOM 577 CG LYS A 38 -3.690 7.388 -2.765 1.00 0.00 C ATOM 578 CD LYS A 38 -4.916 6.977 -1.957 1.00 0.00 C ATOM 579 CE LYS A 38 -6.168 7.164 -2.812 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.207 6.314 -2.166 1.00 0.00 N ATOM 0 H LYS A 38 -3.635 6.861 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.340 5.322 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.927 6.423 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.180 5.315 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.246 8.289 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.977 7.625 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.827 5.937 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.987 7.578 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.475 8.210 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.992 6.857 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.772 5.839 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.747 5.599 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.828 6.909 -1.581 1.00 0.00 H new ATOM 594 N ILE A 39 0.055 7.197 -0.729 1.00 0.00 N ATOM 595 CA ILE A 39 0.930 8.366 -0.439 1.00 0.00 C ATOM 596 C ILE A 39 2.077 8.498 -1.450 1.00 0.00 C ATOM 597 O ILE A 39 2.381 7.579 -2.176 1.00 0.00 O ATOM 598 CB ILE A 39 1.469 8.104 0.944 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.863 6.807 1.465 1.00 0.00 C ATOM 600 CG2 ILE A 39 1.070 9.266 1.854 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.902 6.814 2.990 1.00 0.00 C ATOM 0 H ILE A 39 0.486 6.282 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 39 0.376 9.302 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 39 2.555 8.016 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.165 6.705 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.417 5.951 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.454 9.090 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.488 10.194 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.017 9.344 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.470 5.888 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.935 6.897 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.329 7.662 3.365 1.00 0.00 H new ATOM 613 N ASP A 40 2.733 9.629 -1.480 1.00 0.00 N ATOM 614 CA ASP A 40 3.876 9.802 -2.427 1.00 0.00 C ATOM 615 C ASP A 40 5.202 9.535 -1.695 1.00 0.00 C ATOM 616 O ASP A 40 5.255 9.533 -0.479 1.00 0.00 O ATOM 617 CB ASP A 40 3.792 11.265 -2.877 1.00 0.00 C ATOM 618 CG ASP A 40 5.104 11.990 -2.550 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.153 11.424 -2.807 1.00 0.00 O ATOM 620 OD2 ASP A 40 5.032 13.100 -2.052 1.00 0.00 O ATOM 0 H ASP A 40 2.528 10.437 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 40 3.832 9.114 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.597 11.314 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.959 11.760 -2.378 1.00 0.00 H new ATOM 625 N ILE A 41 6.258 9.275 -2.421 1.00 0.00 N ATOM 626 CA ILE A 41 7.563 8.987 -1.763 1.00 0.00 C ATOM 627 C ILE A 41 8.149 10.225 -1.112 1.00 0.00 C ATOM 628 O ILE A 41 8.730 10.143 -0.050 1.00 0.00 O ATOM 629 CB ILE A 41 8.465 8.480 -2.888 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.898 8.345 -2.370 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.432 9.488 -4.035 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.875 8.449 -3.541 1.00 0.00 C ATOM 0 H ILE A 41 6.271 9.250 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 41 7.455 8.259 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 41 8.115 7.508 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.107 9.125 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.024 7.389 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.072 9.138 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.410 9.592 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.791 10.454 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.896 8.353 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.671 7.653 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.755 9.416 -4.030 1.00 0.00 H new ATOM 644 N MET A 42 8.016 11.355 -1.719 1.00 0.00 N ATOM 645 CA MET A 42 8.573 12.584 -1.096 1.00 0.00 C ATOM 646 C MET A 42 7.633 13.135 -0.017 1.00 0.00 C ATOM 647 O MET A 42 7.945 14.100 0.651 1.00 0.00 O ATOM 648 CB MET A 42 8.702 13.563 -2.248 1.00 0.00 C ATOM 649 CG MET A 42 7.410 14.372 -2.374 1.00 0.00 C ATOM 650 SD MET A 42 7.720 15.846 -3.378 1.00 0.00 S ATOM 651 CE MET A 42 8.655 16.772 -2.135 1.00 0.00 C ATOM 0 H MET A 42 7.549 11.489 -2.616 1.00 0.00 H new ATOM 0 HA MET A 42 9.523 12.397 -0.596 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.547 14.230 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.900 13.026 -3.176 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.630 13.764 -2.832 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.050 14.660 -1.386 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.316 17.808 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.496 16.326 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.717 16.740 -2.380 1.00 0.00 H new ATOM 661 N VAL A 43 6.485 12.543 0.150 1.00 0.00 N ATOM 662 CA VAL A 43 5.527 13.048 1.179 1.00 0.00 C ATOM 663 C VAL A 43 5.383 12.032 2.305 1.00 0.00 C ATOM 664 O VAL A 43 5.402 12.372 3.470 1.00 0.00 O ATOM 665 CB VAL A 43 4.199 13.215 0.435 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.718 11.852 -0.066 1.00 0.00 C ATOM 667 CG2 VAL A 43 3.154 13.802 1.387 1.00 0.00 C ATOM 0 H VAL A 43 6.166 11.732 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 43 5.861 13.981 1.633 1.00 0.00 H new ATOM 0 HB VAL A 43 4.340 13.885 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.773 11.972 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.462 11.430 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.577 11.182 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.208 13.922 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.015 13.130 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.494 14.773 1.747 1.00 0.00 H new ATOM 677 N ASP A 44 5.243 10.783 1.970 1.00 0.00 N ATOM 678 CA ASP A 44 5.105 9.751 3.027 1.00 0.00 C ATOM 679 C ASP A 44 6.404 8.944 3.111 1.00 0.00 C ATOM 680 O ASP A 44 6.377 7.734 3.032 1.00 0.00 O ATOM 681 CB ASP A 44 3.945 8.859 2.559 1.00 0.00 C ATOM 682 CG ASP A 44 3.970 7.536 3.327 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.467 7.510 4.438 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.487 6.570 2.791 1.00 0.00 O ATOM 0 H ASP A 44 5.218 10.434 1.012 1.00 0.00 H new ATOM 0 HA ASP A 44 4.914 10.173 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.994 9.367 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.027 8.671 1.489 1.00 0.00 H new ATOM 689 N ARG A 45 7.538 9.584 3.256 1.00 0.00 N ATOM 690 CA ARG A 45 8.801 8.794 3.304 1.00 0.00 C ATOM 691 C ARG A 45 8.820 7.940 4.563 1.00 0.00 C ATOM 692 O ARG A 45 9.725 7.158 4.794 1.00 0.00 O ATOM 693 CB ARG A 45 9.875 9.865 3.424 1.00 0.00 C ATOM 694 CG ARG A 45 9.922 10.332 4.898 1.00 0.00 C ATOM 695 CD ARG A 45 9.542 11.817 5.000 1.00 0.00 C ATOM 696 NE ARG A 45 9.440 12.097 6.463 1.00 0.00 N ATOM 697 CZ ARG A 45 10.509 12.071 7.211 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 7.642 10.595 3.341 1.00 0.00 H new ATOM 0 HA ARG A 45 8.928 8.134 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.844 9.469 3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.652 10.704 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.238 9.733 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.922 10.177 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.295 12.449 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.597 12.017 4.494 1.00 0.00 H new ATOM 0 HE ARG A 45 8.533 12.309 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.777 11.963 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.526 11.979 7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.477 12.179 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.235 12.100 9.095 1.00 0.00 H new ATOM 713 N GLU A 46 7.789 8.048 5.341 1.00 0.00 N ATOM 714 CA GLU A 46 7.677 7.215 6.571 1.00 0.00 C ATOM 715 C GLU A 46 7.800 5.734 6.178 1.00 0.00 C ATOM 716 O GLU A 46 8.080 4.894 7.003 1.00 0.00 O ATOM 717 CB GLU A 46 6.302 7.536 7.162 1.00 0.00 C ATOM 718 CG GLU A 46 5.212 7.219 6.151 1.00 0.00 C ATOM 719 CD GLU A 46 3.846 7.423 6.804 1.00 0.00 C ATOM 720 OE1 GLU A 46 3.365 8.544 6.789 1.00 0.00 O ATOM 721 OE2 GLU A 46 3.301 6.454 7.306 1.00 0.00 O ATOM 0 H GLU A 46 7.008 8.684 5.180 1.00 0.00 H new ATOM 0 HA GLU A 46 8.459 7.420 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.144 6.957 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.254 8.588 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.311 7.864 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.311 6.191 5.801 1.00 0.00 H new ATOM 728 N LYS A 47 7.543 5.412 4.934 1.00 0.00 N ATOM 729 CA LYS A 47 7.610 3.981 4.504 1.00 0.00 C ATOM 730 C LYS A 47 8.906 3.364 5.025 1.00 0.00 C ATOM 731 O LYS A 47 8.945 2.465 5.858 1.00 0.00 O ATOM 732 CB LYS A 47 7.607 4.025 2.974 1.00 0.00 C ATOM 733 CG LYS A 47 8.720 3.119 2.448 1.00 0.00 C ATOM 734 CD LYS A 47 8.465 1.685 2.917 1.00 0.00 C ATOM 735 CE LYS A 47 9.760 0.877 2.836 1.00 0.00 C ATOM 736 NZ LYS A 47 9.624 -0.171 3.885 1.00 0.00 N ATOM 0 H LYS A 47 7.291 6.075 4.201 1.00 0.00 H new ATOM 0 HA LYS A 47 6.784 3.382 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.641 3.697 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.758 5.047 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.753 3.158 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.688 3.466 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.091 1.688 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.697 1.221 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.888 0.433 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.631 1.507 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.971 -1.079 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.182 0.099 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.624 -0.266 4.154 1.00 0.00 H new ATOM 750 N ALA A 48 9.979 3.910 4.528 1.00 0.00 N ATOM 751 CA ALA A 48 11.333 3.469 4.953 1.00 0.00 C ATOM 752 C ALA A 48 11.515 3.620 6.483 1.00 0.00 C ATOM 753 O ALA A 48 12.480 3.135 7.061 1.00 0.00 O ATOM 754 CB ALA A 48 12.387 4.244 4.119 1.00 0.00 C ATOM 0 H ALA A 48 9.973 4.656 3.833 1.00 0.00 H new ATOM 0 HA ALA A 48 11.469 2.405 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.388 3.933 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.242 4.031 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.273 5.314 4.292 1.00 0.00 H new ATOM 760 N ILE A 49 10.613 4.273 7.169 1.00 0.00 N ATOM 761 CA ILE A 49 10.826 4.396 8.624 1.00 0.00 C ATOM 762 C ILE A 49 11.673 3.211 9.053 1.00 0.00 C ATOM 763 O ILE A 49 12.630 3.314 9.800 1.00 0.00 O ATOM 764 CB ILE A 49 9.446 4.368 9.295 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.588 3.276 8.655 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.765 5.723 9.115 1.00 0.00 C ATOM 767 CD1 ILE A 49 7.109 3.553 8.940 1.00 0.00 C ATOM 0 H ILE A 49 9.770 4.709 6.794 1.00 0.00 H new ATOM 0 HA ILE A 49 11.334 5.319 8.903 1.00 0.00 H new ATOM 0 HB ILE A 49 9.564 4.159 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.762 3.246 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.869 2.300 9.051 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.785 5.704 9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.376 6.501 9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.648 5.933 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.498 2.774 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.941 3.561 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.833 4.521 8.523 1.00 0.00 H new ATOM 779 N GLU A 50 11.335 2.090 8.498 1.00 0.00 N ATOM 780 CA GLU A 50 12.103 0.848 8.751 1.00 0.00 C ATOM 781 C GLU A 50 13.597 1.117 8.485 1.00 0.00 C ATOM 782 O GLU A 50 14.432 0.869 9.324 1.00 0.00 O ATOM 783 CB GLU A 50 11.532 -0.151 7.746 1.00 0.00 C ATOM 784 CG GLU A 50 10.149 -0.607 8.224 1.00 0.00 C ATOM 785 CD GLU A 50 9.110 0.475 7.902 1.00 0.00 C ATOM 786 OE1 GLU A 50 9.502 1.523 7.414 1.00 0.00 O ATOM 787 OE2 GLU A 50 7.940 0.239 8.151 1.00 0.00 O ATOM 0 H GLU A 50 10.542 1.979 7.866 1.00 0.00 H new ATOM 0 HA GLU A 50 12.024 0.481 9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.457 0.308 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.198 -1.008 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.876 -1.544 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.169 -0.798 9.297 1.00 0.00 H new ATOM 794 N TYR A 51 13.930 1.635 7.326 1.00 0.00 N ATOM 795 CA TYR A 51 15.367 1.947 7.011 1.00 0.00 C ATOM 796 C TYR A 51 15.514 3.425 6.619 1.00 0.00 C ATOM 797 O TYR A 51 16.538 4.035 6.846 1.00 0.00 O ATOM 798 CB TYR A 51 15.736 1.048 5.832 1.00 0.00 C ATOM 799 CG TYR A 51 14.724 1.203 4.717 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.413 0.748 4.889 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.105 1.795 3.505 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.484 0.883 3.850 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.174 1.930 2.469 1.00 0.00 C ATOM 804 CZ TYR A 51 12.865 1.473 2.640 1.00 0.00 C ATOM 805 OH TYR A 51 11.949 1.598 1.614 1.00 0.00 O ATOM 0 H TYR A 51 13.269 1.857 6.581 1.00 0.00 H new ATOM 0 HA TYR A 51 16.016 1.772 7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.731 1.304 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.774 0.008 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.117 0.293 5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.117 2.147 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.472 0.531 3.983 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.468 2.388 1.536 1.00 0.00 H new ATOM 0 HH TYR A 51 12.420 1.606 0.754 1.00 0.00 H new ATOM 815 N GLY A 52 14.494 4.003 6.039 1.00 0.00 N ATOM 816 CA GLY A 52 14.550 5.454 5.641 1.00 0.00 C ATOM 817 C GLY A 52 15.898 5.810 4.985 1.00 0.00 C ATOM 818 O GLY A 52 16.170 6.945 4.628 1.00 0.00 O ATOM 0 H GLY A 52 13.615 3.534 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.738 5.673 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.396 6.079 6.520 1.00 0.00 H new ATOM 822 N LEU A 53 16.697 4.807 4.779 1.00 0.00 N ATOM 823 CA LEU A 53 17.989 4.983 4.054 1.00 0.00 C ATOM 824 C LEU A 53 17.683 5.117 2.565 1.00 0.00 C ATOM 825 O LEU A 53 17.677 6.212 1.993 1.00 0.00 O ATOM 826 CB LEU A 53 18.896 3.781 4.404 1.00 0.00 C ATOM 827 CG LEU A 53 19.202 3.899 5.906 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.396 2.508 6.475 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.479 4.731 6.138 1.00 0.00 C ATOM 0 H LEU A 53 16.509 3.853 5.087 1.00 0.00 H new ATOM 0 HA LEU A 53 18.525 5.885 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.396 2.838 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.814 3.802 3.817 1.00 0.00 H new ATOM 0 HG LEU A 53 18.370 4.399 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.614 2.578 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.487 1.925 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.227 2.019 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.678 4.802 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.322 4.249 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.341 5.731 5.727 1.00 0.00 H new ATOM 841 N MET A 54 17.403 3.989 1.962 1.00 0.00 N ATOM 842 CA MET A 54 17.064 3.937 0.526 1.00 0.00 C ATOM 843 C MET A 54 15.527 3.941 0.404 1.00 0.00 C ATOM 844 O MET A 54 14.945 2.974 -0.047 1.00 0.00 O ATOM 845 CB MET A 54 17.639 2.594 0.058 1.00 0.00 C ATOM 846 CG MET A 54 19.156 2.724 0.010 1.00 0.00 C ATOM 847 SD MET A 54 19.699 2.798 -1.713 1.00 0.00 S ATOM 848 CE MET A 54 20.833 1.392 -1.644 1.00 0.00 C ATOM 0 H MET A 54 17.398 3.082 2.428 1.00 0.00 H new ATOM 0 HA MET A 54 17.454 4.770 -0.059 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.346 1.796 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.247 2.333 -0.925 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.472 3.622 0.541 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.621 1.876 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.294 1.248 -2.621 1.00 0.00 H new ATOM 0 HE2 MET A 54 21.608 1.586 -0.902 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.282 0.493 -1.367 1.00 0.00 H new ATOM 858 N ALA A 55 14.856 4.989 0.806 1.00 0.00 N ATOM 859 CA ALA A 55 13.375 4.933 0.734 1.00 0.00 C ATOM 860 C ALA A 55 12.891 5.832 -0.382 1.00 0.00 C ATOM 861 O ALA A 55 13.085 7.034 -0.370 1.00 0.00 O ATOM 862 CB ALA A 55 12.948 5.555 2.071 1.00 0.00 C ATOM 0 H ALA A 55 15.257 5.853 1.169 1.00 0.00 H new ATOM 0 HA ALA A 55 12.988 3.929 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.860 5.569 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.352 4.964 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.328 6.574 2.136 1.00 0.00 H new ATOM 868 N VAL A 56 12.249 5.221 -1.355 1.00 0.00 N ATOM 869 CA VAL A 56 11.729 5.969 -2.540 1.00 0.00 C ATOM 870 C VAL A 56 10.450 5.324 -3.098 1.00 0.00 C ATOM 871 O VAL A 56 9.405 5.939 -3.037 1.00 0.00 O ATOM 872 CB VAL A 56 12.843 5.927 -3.575 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.228 5.927 -4.974 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.714 7.174 -3.407 1.00 0.00 C ATOM 0 H VAL A 56 12.063 4.218 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 56 11.461 6.991 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 56 13.446 5.029 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.022 5.897 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.588 5.053 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.635 6.831 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.518 7.158 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.105 8.066 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.140 7.187 -2.404 1.00 0.00 H new ATOM 884 N PRO A 57 10.535 4.104 -3.577 1.00 0.00 N ATOM 885 CA PRO A 57 9.313 3.442 -4.058 1.00 0.00 C ATOM 886 C PRO A 57 8.966 2.310 -3.102 1.00 0.00 C ATOM 887 O PRO A 57 9.699 1.354 -2.915 1.00 0.00 O ATOM 888 CB PRO A 57 9.820 2.765 -5.335 1.00 0.00 C ATOM 889 CG PRO A 57 11.317 2.547 -5.118 1.00 0.00 C ATOM 890 CD PRO A 57 11.744 3.328 -3.880 1.00 0.00 C ATOM 0 HA PRO A 57 8.461 4.113 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.307 1.819 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.638 3.390 -6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.531 1.486 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.879 2.882 -5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.023 2.669 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.602 3.970 -4.078 1.00 0.00 H new ATOM 898 N ALA A 58 7.822 2.465 -2.473 1.00 0.00 N ATOM 899 CA ALA A 58 7.353 1.488 -1.458 1.00 0.00 C ATOM 900 C ALA A 58 5.847 1.618 -1.192 1.00 0.00 C ATOM 901 O ALA A 58 5.173 2.498 -1.688 1.00 0.00 O ATOM 902 CB ALA A 58 8.141 1.840 -0.197 1.00 0.00 C ATOM 0 H ALA A 58 7.187 3.247 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 58 7.511 0.462 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.857 1.165 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.208 1.740 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.921 2.867 0.095 1.00 0.00 H new ATOM 908 N ILE A 59 5.334 0.756 -0.375 1.00 0.00 N ATOM 909 CA ILE A 59 3.893 0.821 -0.044 1.00 0.00 C ATOM 910 C ILE A 59 3.734 0.509 1.432 1.00 0.00 C ATOM 911 O ILE A 59 4.520 -0.247 1.979 1.00 0.00 O ATOM 912 CB ILE A 59 3.272 -0.285 -0.913 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.027 0.261 -2.319 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.947 -0.754 -0.308 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.914 -0.479 -3.325 1.00 0.00 C ATOM 0 H ILE A 59 5.852 0.005 0.081 1.00 0.00 H new ATOM 0 HA ILE A 59 3.428 1.790 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 59 3.957 -1.132 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.978 0.141 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.243 1.329 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.518 -1.537 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.123 -1.145 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.255 0.086 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.735 -0.086 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.962 -0.336 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.677 -1.543 -3.305 1.00 0.00 H new ATOM 927 N ALA A 60 2.749 1.036 2.103 1.00 0.00 N ATOM 928 CA ALA A 60 2.707 0.705 3.534 1.00 0.00 C ATOM 929 C ALA A 60 1.888 -0.541 3.592 1.00 0.00 C ATOM 930 O ALA A 60 1.122 -0.790 2.682 1.00 0.00 O ATOM 931 CB ALA A 60 1.921 1.906 4.139 1.00 0.00 C ATOM 0 H ALA A 60 2.015 1.646 1.742 1.00 0.00 H new ATOM 0 HA ALA A 60 3.660 0.555 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.824 1.771 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.459 2.832 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.930 1.956 3.689 1.00 0.00 H new ATOM 937 N ILE A 61 2.034 -1.353 4.587 1.00 0.00 N ATOM 938 CA ILE A 61 1.279 -2.587 4.543 1.00 0.00 C ATOM 939 C ILE A 61 0.143 -2.359 5.456 1.00 0.00 C ATOM 940 O ILE A 61 0.233 -2.547 6.665 1.00 0.00 O ATOM 941 CB ILE A 61 2.259 -3.602 5.171 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.742 -3.236 4.880 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.015 -5.046 4.780 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.631 -4.494 4.966 1.00 0.00 C ATOM 0 H ILE A 61 2.630 -1.210 5.402 1.00 0.00 H new ATOM 0 HA ILE A 61 0.922 -2.911 3.566 1.00 0.00 H new ATOM 0 HB ILE A 61 2.060 -3.527 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.826 -2.790 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.087 -2.489 5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.751 -5.685 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.013 -5.343 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.105 -5.150 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.666 -4.223 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.560 -4.922 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.295 -5.227 4.233 1.00 0.00 H new ATOM 956 N ASN A 62 -0.921 -1.911 4.840 1.00 0.00 N ATOM 957 CA ASN A 62 -2.170 -1.590 5.553 1.00 0.00 C ATOM 958 C ASN A 62 -2.524 -2.807 6.357 1.00 0.00 C ATOM 959 O ASN A 62 -3.283 -3.655 5.953 1.00 0.00 O ATOM 960 CB ASN A 62 -3.197 -1.283 4.450 1.00 0.00 C ATOM 961 CG ASN A 62 -3.590 0.201 4.516 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.673 0.569 4.113 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.752 1.078 5.009 1.00 0.00 N ATOM 0 H ASN A 62 -0.965 -1.753 3.833 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.113 -0.741 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.777 -1.516 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.080 -1.910 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.012 2.063 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.839 0.776 5.350 1.00 0.00 H new ATOM 970 N GLY A 63 -1.926 -2.905 7.499 1.00 0.00 N ATOM 971 CA GLY A 63 -2.161 -4.070 8.375 1.00 0.00 C ATOM 972 C GLY A 63 -1.030 -4.115 9.386 1.00 0.00 C ATOM 973 O GLY A 63 -1.236 -4.341 10.559 1.00 0.00 O ATOM 0 H GLY A 63 -1.273 -2.215 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.123 -3.983 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.190 -4.990 7.791 1.00 0.00 H new ATOM 977 N VAL A 64 0.174 -3.887 8.929 1.00 0.00 N ATOM 978 CA VAL A 64 1.345 -3.907 9.856 1.00 0.00 C ATOM 979 C VAL A 64 2.173 -2.616 9.728 1.00 0.00 C ATOM 980 O VAL A 64 2.340 -1.893 10.691 1.00 0.00 O ATOM 981 CB VAL A 64 2.151 -5.141 9.440 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.238 -6.369 9.483 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.684 -4.958 8.017 1.00 0.00 C ATOM 0 H VAL A 64 0.397 -3.688 7.954 1.00 0.00 H new ATOM 0 HA VAL A 64 1.044 -3.957 10.903 1.00 0.00 H new ATOM 0 HB VAL A 64 2.990 -5.274 10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.803 -7.253 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.856 -6.503 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.404 -6.226 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.256 -5.839 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.848 -4.826 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.327 -4.079 7.980 1.00 0.00 H new ATOM 993 N VAL A 65 2.696 -2.302 8.566 1.00 0.00 N ATOM 994 CA VAL A 65 3.507 -1.037 8.454 1.00 0.00 C ATOM 995 C VAL A 65 3.724 -0.604 6.998 1.00 0.00 C ATOM 996 O VAL A 65 2.857 -0.025 6.375 1.00 0.00 O ATOM 997 CB VAL A 65 4.854 -1.376 9.087 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.759 -0.142 9.044 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.645 -1.802 10.539 1.00 0.00 C ATOM 0 H VAL A 65 2.603 -2.847 7.709 1.00 0.00 H new ATOM 0 HA VAL A 65 2.992 -0.210 8.942 1.00 0.00 H new ATOM 0 HB VAL A 65 5.320 -2.192 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.722 -0.381 9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.909 0.163 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.291 0.672 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.608 -2.044 10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.179 -0.988 11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.999 -2.679 10.571 1.00 0.00 H new ATOM 1009 N ARG A 66 4.893 -0.862 6.466 1.00 0.00 N ATOM 1010 CA ARG A 66 5.206 -0.446 5.060 1.00 0.00 C ATOM 1011 C ARG A 66 6.488 -1.155 4.609 1.00 0.00 C ATOM 1012 O ARG A 66 7.201 -1.720 5.410 1.00 0.00 O ATOM 1013 CB ARG A 66 5.451 1.071 5.125 1.00 0.00 C ATOM 1014 CG ARG A 66 5.405 1.671 3.715 1.00 0.00 C ATOM 1015 CD ARG A 66 4.621 2.987 3.740 1.00 0.00 C ATOM 1016 NE ARG A 66 4.628 3.419 5.166 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.656 4.157 5.628 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.532 5.395 5.235 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.805 3.657 6.482 1.00 0.00 N ATOM 0 H ARG A 66 5.651 -1.346 6.948 1.00 0.00 H new ATOM 0 HA ARG A 66 4.406 -0.696 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.697 1.543 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.419 1.272 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.417 1.846 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.935 0.969 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.088 3.735 3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.603 2.846 3.376 1.00 0.00 H new ATOM 0 HE ARG A 66 5.392 3.138 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.195 5.787 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.772 5.971 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.899 2.689 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.046 4.234 6.843 1.00 0.00 H new ATOM 1033 N PHE A 67 6.755 -1.187 3.329 1.00 0.00 N ATOM 1034 CA PHE A 67 7.963 -1.923 2.840 1.00 0.00 C ATOM 1035 C PHE A 67 8.561 -1.247 1.609 1.00 0.00 C ATOM 1036 O PHE A 67 8.025 -0.293 1.075 1.00 0.00 O ATOM 1037 CB PHE A 67 7.437 -3.310 2.445 1.00 0.00 C ATOM 1038 CG PHE A 67 7.150 -3.344 0.956 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.683 -2.197 0.298 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.354 -4.528 0.234 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.425 -2.237 -1.080 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.093 -4.564 -1.142 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.630 -3.420 -1.799 1.00 0.00 C ATOM 0 H PHE A 67 6.194 -0.739 2.604 1.00 0.00 H new ATOM 0 HA PHE A 67 8.744 -1.955 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.171 -4.074 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.530 -3.539 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.522 -1.284 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.713 -5.413 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.067 -1.353 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.250 -5.477 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.431 -3.449 -2.860 1.00 0.00 H new ATOM 1053 N VAL A 68 9.677 -1.749 1.155 1.00 0.00 N ATOM 1054 CA VAL A 68 10.307 -1.174 -0.060 1.00 0.00 C ATOM 1055 C VAL A 68 9.719 -1.796 -1.335 1.00 0.00 C ATOM 1056 O VAL A 68 9.912 -2.963 -1.596 1.00 0.00 O ATOM 1057 CB VAL A 68 11.803 -1.468 0.070 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.531 -0.917 -1.158 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.327 -0.768 1.327 1.00 0.00 C ATOM 0 H VAL A 68 10.177 -2.532 1.575 1.00 0.00 H new ATOM 0 HA VAL A 68 10.122 -0.103 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 68 11.973 -2.542 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.598 -1.123 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.141 -1.394 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.374 0.160 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.393 -0.967 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.165 0.306 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.796 -1.145 2.201 1.00 0.00 H new ATOM 1069 N GLY A 69 9.025 -1.051 -2.147 1.00 0.00 N ATOM 1070 CA GLY A 69 8.511 -1.671 -3.401 1.00 0.00 C ATOM 1071 C GLY A 69 8.131 -0.588 -4.395 1.00 0.00 C ATOM 1072 O GLY A 69 7.392 0.319 -4.083 1.00 0.00 O ATOM 0 H GLY A 69 8.795 -0.067 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.271 -2.323 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.645 -2.294 -3.180 1.00 0.00 H new ATOM 1076 N ALA A 70 8.593 -0.690 -5.599 1.00 0.00 N ATOM 1077 CA ALA A 70 8.212 0.321 -6.613 1.00 0.00 C ATOM 1078 C ALA A 70 7.015 -0.220 -7.389 1.00 0.00 C ATOM 1079 O ALA A 70 5.889 0.081 -7.055 1.00 0.00 O ATOM 1080 CB ALA A 70 9.446 0.490 -7.488 1.00 0.00 C ATOM 0 H ALA A 70 9.217 -1.427 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 70 7.917 1.285 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.242 1.226 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.282 0.830 -6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.699 -0.465 -7.949 1.00 0.00 H new ATOM 1086 N PRO A 71 7.272 -1.054 -8.355 1.00 0.00 N ATOM 1087 CA PRO A 71 6.148 -1.663 -9.100 1.00 0.00 C ATOM 1088 C PRO A 71 5.658 -2.888 -8.323 1.00 0.00 C ATOM 1089 O PRO A 71 5.064 -3.794 -8.877 1.00 0.00 O ATOM 1090 CB PRO A 71 6.803 -2.123 -10.399 1.00 0.00 C ATOM 1091 CG PRO A 71 8.254 -2.334 -10.062 1.00 0.00 C ATOM 1092 CD PRO A 71 8.584 -1.472 -8.865 1.00 0.00 C ATOM 0 HA PRO A 71 5.303 -0.992 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.347 -3.043 -10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.687 -1.376 -11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.445 -3.384 -9.840 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.885 -2.067 -10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.145 -2.029 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.194 -0.614 -9.147 1.00 0.00 H new ATOM 1100 N SER A 72 5.892 -2.910 -7.028 1.00 0.00 N ATOM 1101 CA SER A 72 5.444 -4.077 -6.203 1.00 0.00 C ATOM 1102 C SER A 72 4.150 -3.758 -5.448 1.00 0.00 C ATOM 1103 O SER A 72 4.088 -3.826 -4.237 1.00 0.00 O ATOM 1104 CB SER A 72 6.578 -4.328 -5.217 1.00 0.00 C ATOM 1105 OG SER A 72 7.384 -3.161 -5.121 1.00 0.00 O ATOM 0 H SER A 72 6.372 -2.173 -6.511 1.00 0.00 H new ATOM 0 HA SER A 72 5.234 -4.947 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.174 -4.586 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.181 -5.174 -5.546 1.00 0.00 H new ATOM 0 HG SER A 72 8.255 -3.330 -5.536 1.00 0.00 H new ATOM 1111 N ARG A 73 3.108 -3.444 -6.164 1.00 0.00 N ATOM 1112 CA ARG A 73 1.798 -3.152 -5.506 1.00 0.00 C ATOM 1113 C ARG A 73 1.222 -4.437 -4.896 1.00 0.00 C ATOM 1114 O ARG A 73 0.500 -4.408 -3.917 1.00 0.00 O ATOM 1115 CB ARG A 73 0.892 -2.582 -6.601 1.00 0.00 C ATOM 1116 CG ARG A 73 1.683 -1.537 -7.386 1.00 0.00 C ATOM 1117 CD ARG A 73 1.830 -1.999 -8.831 1.00 0.00 C ATOM 1118 NE ARG A 73 2.457 -0.854 -9.544 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.231 -0.676 -10.817 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 -11.328 1.00 0.00 N ATOM 0 H ARG A 73 3.104 -3.376 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 73 1.896 -2.439 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.552 -3.377 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.002 -2.132 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.172 -0.575 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.665 -1.394 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.451 -2.892 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.862 -2.251 -9.264 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 -2.637 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.778 -1.563 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.497 1.322 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.104 0.660 -12.323 1.00 0.00 H new ATOM 1135 N GLU A 74 1.535 -5.571 -5.477 1.00 0.00 N ATOM 1136 CA GLU A 74 1.011 -6.859 -4.942 1.00 0.00 C ATOM 1137 C GLU A 74 1.215 -6.916 -3.430 1.00 0.00 C ATOM 1138 O GLU A 74 0.343 -7.325 -2.687 1.00 0.00 O ATOM 1139 CB GLU A 74 1.812 -7.959 -5.640 1.00 0.00 C ATOM 1140 CG GLU A 74 0.845 -8.895 -6.372 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.122 -9.524 -5.366 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.343 -10.239 -4.494 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.312 -9.283 -5.487 1.00 0.00 O ATOM 0 H GLU A 74 2.132 -5.656 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.057 -6.973 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.517 -7.520 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.397 -8.519 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.289 -8.341 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.402 -9.674 -6.893 1.00 0.00 H new ATOM 1150 N GLU A 75 2.367 -6.512 -2.969 1.00 0.00 N ATOM 1151 CA GLU A 75 2.618 -6.539 -1.505 1.00 0.00 C ATOM 1152 C GLU A 75 1.393 -5.986 -0.785 1.00 0.00 C ATOM 1153 O GLU A 75 1.021 -6.442 0.278 1.00 0.00 O ATOM 1154 CB GLU A 75 3.826 -5.626 -1.297 1.00 0.00 C ATOM 1155 CG GLU A 75 4.994 -6.443 -0.753 1.00 0.00 C ATOM 1156 CD GLU A 75 5.293 -6.010 0.683 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.686 -5.051 1.130 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.126 -6.643 1.309 1.00 0.00 O ATOM 0 H GLU A 75 3.139 -6.167 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 75 2.804 -7.541 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.106 -5.155 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.574 -4.825 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.753 -7.506 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.875 -6.299 -1.379 1.00 0.00 H new ATOM 1165 N LEU A 76 0.741 -5.026 -1.379 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.484 -4.467 -0.752 1.00 0.00 C ATOM 1167 C LEU A 76 -1.551 -5.561 -0.690 1.00 0.00 C ATOM 1168 O LEU A 76 -2.223 -5.729 0.304 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.924 -3.332 -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 -2.205 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.567 -0.919 -2.206 1.00 0.00 C ATOM 0 H LEU A 76 1.005 -4.606 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.319 -4.107 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.939 -3.678 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.939 -3.019 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 76 0.208 -1.948 -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 1.800 -3.378 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.203 -2.699 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.117 -0.076 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.733 -1.125 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.517 -0.675 -1.730 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.696 -6.318 -1.748 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.714 -7.408 -1.749 1.00 0.00 C ATOM 1186 C PHE A 77 -2.443 -8.358 -0.575 1.00 0.00 C ATOM 1187 O PHE A 77 -3.346 -8.888 0.045 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.531 -8.116 -3.098 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.347 -9.598 -2.874 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.178 -10.075 -2.269 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.348 -10.494 -3.263 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.013 -11.447 -2.052 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.181 -11.866 -3.048 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.013 -12.343 -2.441 1.00 0.00 C ATOM 0 H PHE A 77 -1.155 -6.228 -2.608 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.734 -7.043 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.399 -7.939 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.666 -7.707 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.404 -9.384 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.250 -10.126 -3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.112 -11.814 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.953 -12.558 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.885 -13.402 -2.273 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.189 -8.563 -0.265 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.820 -9.448 0.872 1.00 0.00 C ATOM 1206 C GLU A 78 -0.942 -8.691 2.199 1.00 0.00 C ATOM 1207 O GLU A 78 -1.256 -9.264 3.226 1.00 0.00 O ATOM 1208 CB GLU A 78 0.621 -9.898 0.606 1.00 0.00 C ATOM 1209 CG GLU A 78 0.992 -11.003 1.601 1.00 0.00 C ATOM 1210 CD GLU A 78 1.355 -12.280 0.837 1.00 0.00 C ATOM 1211 OE1 GLU A 78 0.447 -12.993 0.441 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.537 -12.524 0.662 1.00 0.00 O ATOM 0 H GLU A 78 -0.399 -8.149 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.483 -10.309 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.718 -10.264 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.304 -9.054 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.833 -10.684 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.157 -11.195 2.275 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.677 -7.412 2.188 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.763 -6.622 3.448 1.00 0.00 C ATOM 1221 C ALA A 79 -2.221 -6.453 3.882 1.00 0.00 C ATOM 1222 O ALA A 79 -2.531 -6.455 5.059 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.132 -5.271 3.104 1.00 0.00 C ATOM 0 H ALA A 79 -0.405 -6.881 1.361 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.254 -7.111 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.155 -4.625 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.901 -5.421 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.692 -4.803 2.294 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.120 -6.339 2.945 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.562 -6.199 3.309 1.00 0.00 C ATOM 1231 C ILE A 80 -5.034 -7.498 3.956 1.00 0.00 C ATOM 1232 O ILE A 80 -5.706 -7.510 4.975 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.295 -5.929 2.003 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.038 -4.478 1.583 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.793 -6.133 2.226 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.655 -4.032 2.070 1.00 0.00 C ATOM 0 H ILE A 80 -2.922 -6.336 1.944 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.745 -5.394 4.020 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.943 -6.607 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.098 -4.388 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.807 -3.828 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.329 -5.942 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.977 -7.158 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.144 -5.444 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.478 -3.000 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.611 -4.105 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.891 -4.674 1.632 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.644 -8.603 3.383 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.985 -9.917 3.957 1.00 0.00 C ATOM 1250 C ASN A 81 -4.279 -10.064 5.291 1.00 0.00 C ATOM 1251 O ASN A 81 -4.672 -10.888 6.063 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.513 -10.990 2.984 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.051 -12.216 3.778 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.777 -12.747 4.597 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.857 -12.682 3.567 1.00 0.00 N ATOM 0 H ASN A 81 -4.093 -8.642 2.525 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.059 -10.013 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.321 -11.264 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.696 -10.609 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.527 -13.494 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.249 -12.236 2.880 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.218 -9.297 5.591 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.568 -9.550 6.894 1.00 0.00 C ATOM 1264 C ASP A 82 -3.001 -8.416 7.801 1.00 0.00 C ATOM 1265 O ASP A 82 -2.860 -8.466 9.043 1.00 0.00 O ATOM 1266 CB ASP A 82 -1.129 -9.244 6.592 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.653 -8.166 7.605 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -1.107 -7.025 7.502 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.141 -8.499 8.454 1.00 0.00 O ATOM 0 H ASP A 82 -2.817 -8.560 5.011 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.772 -10.533 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.520 -10.144 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.021 -8.882 5.569 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.694 -7.488 7.218 1.00 0.00 N ATOM 1275 CA GLU A 83 -4.291 -6.426 8.067 1.00 0.00 C ATOM 1276 C GLU A 83 -5.610 -7.038 8.515 1.00 0.00 C ATOM 1277 O GLU A 83 -5.922 -7.114 9.687 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.536 -5.254 7.128 1.00 0.00 C ATOM 1279 CG GLU A 83 -6.025 -4.886 7.159 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.462 -4.578 8.592 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.056 -3.549 9.100 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -7.193 -5.378 9.156 1.00 0.00 O ATOM 0 H GLU A 83 -3.872 -7.416 6.216 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.695 -6.096 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.931 -4.399 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.235 -5.516 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.207 -4.021 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.619 -5.708 6.758 1.00 0.00 H new ATOM 1289 N MET A 84 -6.418 -7.488 7.582 1.00 0.00 N ATOM 1290 CA MET A 84 -7.740 -8.095 7.959 1.00 0.00 C ATOM 1291 C MET A 84 -7.552 -9.538 8.442 1.00 0.00 C ATOM 1292 O MET A 84 -8.378 -10.085 9.142 1.00 0.00 O ATOM 1293 CB MET A 84 -8.552 -8.059 6.663 1.00 0.00 C ATOM 1294 CG MET A 84 -9.396 -9.328 6.541 1.00 0.00 C ATOM 1295 SD MET A 84 -8.734 -10.366 5.215 1.00 0.00 S ATOM 1296 CE MET A 84 -9.784 -9.736 3.883 1.00 0.00 C ATOM 0 H MET A 84 -6.222 -7.462 6.581 1.00 0.00 H new ATOM 0 HA MET A 84 -8.230 -7.561 8.773 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.197 -7.181 6.652 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.883 -7.973 5.807 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.388 -9.875 7.484 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.434 -9.069 6.331 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.010 -10.543 3.185 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.712 -9.349 4.303 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.263 -8.936 3.356 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.460 -10.158 8.074 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.220 -11.566 8.508 1.00 0.00 C ATOM 1308 C GLU A 85 -4.716 -11.844 8.589 1.00 0.00 C ATOM 1309 O GLU A 85 -4.289 -12.848 8.040 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.867 -12.434 7.424 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.778 -13.907 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 -8.995 -14.723 7.824 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -8.128 -14.247 9.738 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.018 -11.050 9.196 1.00 0.00 O ATOM 0 H GLU A 85 -5.727 -9.751 7.494 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.636 -11.770 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.909 -12.146 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.364 -12.277 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.606 -14.527 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.931 -14.060 8.497 1.00 0.00 H new TER 1322 GLU A 85