USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 621 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 49 HIS : no HD1:sc= -0.284 K(o=-2.4,f=-1.8) USER MOD Set 1.2: A 63 GLN : amide:sc= -2.09 K(o=-2.4,f=-6.2!) USER MOD Set 2.1: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 154:sc= 0.504 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.343 K(o=0.16,f=-3.2) USER MOD Set 3.1: A 5 SER OG : rot 127:sc= 0.39 USER MOD Set 3.2: A 78 SER OG : rot 180:sc= 0.356 USER MOD Single : A 1 GLY N :NH3+ 168:sc= -0.051 (180deg=-0.205) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.329 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 15 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 20 MET CE :methyl 133:sc= -0.281 (180deg=-2.24) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.9) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.335 K(o=-0.33,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00971 USER MOD Single : A 43 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.152 USER MOD Single : A 77 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.9) USER MOD Single : A 81 SER OG : rot -53:sc= 0.869 USER MOD Single : A 82 SER OG : rot 54:sc= -0.371 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.221 5.706 2.772 1.00 0.00 N ATOM 2 CA GLY A 1 -8.650 4.464 3.259 1.00 0.00 C ATOM 3 C GLY A 1 -8.266 3.522 2.135 1.00 0.00 C ATOM 4 O GLY A 1 -8.260 2.304 2.311 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.650 6.225 3.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.473 6.287 2.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.950 5.497 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.769 4.685 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.368 3.970 3.914 1.00 0.00 H new ATOM 8 N SER A 2 -7.946 4.087 0.975 1.00 0.00 N ATOM 9 CA SER A 2 -7.565 3.289 -0.184 1.00 0.00 C ATOM 10 C SER A 2 -6.047 3.232 -0.329 1.00 0.00 C ATOM 11 O SER A 2 -5.445 4.064 -1.008 1.00 0.00 O ATOM 12 CB SER A 2 -8.188 3.868 -1.456 1.00 0.00 C ATOM 13 OG SER A 2 -9.589 3.654 -1.480 1.00 0.00 O ATOM 0 H SER A 2 -7.943 5.094 0.813 1.00 0.00 H new ATOM 0 HA SER A 2 -7.937 2.276 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.979 4.936 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.731 3.406 -2.331 1.00 0.00 H new ATOM 0 HG SER A 2 -9.964 4.034 -2.302 1.00 0.00 H new ATOM 19 N SER A 3 -5.434 2.244 0.315 1.00 0.00 N ATOM 20 CA SER A 3 -3.986 2.080 0.262 1.00 0.00 C ATOM 21 C SER A 3 -3.553 1.505 -1.083 1.00 0.00 C ATOM 22 O SER A 3 -2.460 1.790 -1.570 1.00 0.00 O ATOM 23 CB SER A 3 -3.513 1.167 1.395 1.00 0.00 C ATOM 24 OG SER A 3 -2.134 0.869 1.268 1.00 0.00 O ATOM 0 H SER A 3 -5.917 1.545 0.879 1.00 0.00 H new ATOM 0 HA SER A 3 -3.530 3.063 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.697 1.649 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.090 0.242 1.386 1.00 0.00 H new ATOM 0 HG SER A 3 -1.856 0.286 2.005 1.00 0.00 H new ATOM 30 N GLY A 4 -4.421 0.692 -1.679 1.00 0.00 N ATOM 31 CA GLY A 4 -4.112 0.089 -2.962 1.00 0.00 C ATOM 32 C GLY A 4 -5.294 -0.651 -3.555 1.00 0.00 C ATOM 33 O GLY A 4 -5.454 -1.853 -3.343 1.00 0.00 O ATOM 0 H GLY A 4 -5.332 0.441 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.788 0.865 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.277 -0.602 -2.844 1.00 0.00 H new ATOM 37 N SER A 5 -6.128 0.069 -4.300 1.00 0.00 N ATOM 38 CA SER A 5 -7.305 -0.525 -4.921 1.00 0.00 C ATOM 39 C SER A 5 -7.639 0.176 -6.234 1.00 0.00 C ATOM 40 O SER A 5 -8.807 0.400 -6.551 1.00 0.00 O ATOM 41 CB SER A 5 -8.502 -0.450 -3.971 1.00 0.00 C ATOM 42 OG SER A 5 -8.933 0.889 -3.798 1.00 0.00 O ATOM 0 H SER A 5 -6.009 1.065 -4.488 1.00 0.00 H new ATOM 0 HA SER A 5 -7.084 -1.571 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.321 -1.051 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.231 -0.876 -3.005 1.00 0.00 H new ATOM 0 HG SER A 5 -9.891 0.952 -3.993 1.00 0.00 H new ATOM 48 N SER A 6 -6.604 0.520 -6.994 1.00 0.00 N ATOM 49 CA SER A 6 -6.786 1.200 -8.271 1.00 0.00 C ATOM 50 C SER A 6 -6.252 0.350 -9.420 1.00 0.00 C ATOM 51 O SER A 6 -5.048 0.124 -9.533 1.00 0.00 O ATOM 52 CB SER A 6 -6.080 2.557 -8.255 1.00 0.00 C ATOM 53 OG SER A 6 -5.950 3.050 -6.933 1.00 0.00 O ATOM 0 H SER A 6 -5.631 0.339 -6.748 1.00 0.00 H new ATOM 0 HA SER A 6 -7.854 1.356 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.094 2.462 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.642 3.270 -8.858 1.00 0.00 H new ATOM 0 HG SER A 6 -5.494 3.917 -6.951 1.00 0.00 H new ATOM 59 N GLY A 7 -7.159 -0.121 -10.270 1.00 0.00 N ATOM 60 CA GLY A 7 -6.762 -0.942 -11.399 1.00 0.00 C ATOM 61 C GLY A 7 -7.347 -0.450 -12.708 1.00 0.00 C ATOM 62 O GLY A 7 -6.634 -0.312 -13.702 1.00 0.00 O ATOM 0 H GLY A 7 -8.162 0.051 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.674 -0.953 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.080 -1.970 -11.226 1.00 0.00 H new ATOM 66 N VAL A 8 -8.650 -0.186 -12.710 1.00 0.00 N ATOM 67 CA VAL A 8 -9.331 0.293 -13.907 1.00 0.00 C ATOM 68 C VAL A 8 -8.711 1.592 -14.410 1.00 0.00 C ATOM 69 O VAL A 8 -8.800 1.916 -15.594 1.00 0.00 O ATOM 70 CB VAL A 8 -10.832 0.521 -13.646 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.558 0.838 -14.944 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.444 -0.695 -12.966 1.00 0.00 C ATOM 0 H VAL A 8 -9.255 -0.296 -11.896 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.215 -0.480 -14.667 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.942 1.376 -12.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.617 0.996 -14.739 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.135 1.740 -15.386 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.443 0.005 -15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.505 -0.517 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.324 -1.569 -13.607 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.942 -0.871 -12.015 1.00 0.00 H new ATOM 82 N SER A 9 -8.083 2.332 -13.502 1.00 0.00 N ATOM 83 CA SER A 9 -7.450 3.598 -13.852 1.00 0.00 C ATOM 84 C SER A 9 -6.180 3.364 -14.663 1.00 0.00 C ATOM 85 O SER A 9 -5.785 4.200 -15.476 1.00 0.00 O ATOM 86 CB SER A 9 -7.122 4.395 -12.588 1.00 0.00 C ATOM 87 OG SER A 9 -6.211 3.690 -11.762 1.00 0.00 O ATOM 0 H SER A 9 -7.999 2.076 -12.518 1.00 0.00 H new ATOM 0 HA SER A 9 -8.150 4.169 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.696 5.360 -12.863 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.039 4.597 -12.034 1.00 0.00 H new ATOM 0 HG SER A 9 -6.016 4.221 -10.962 1.00 0.00 H new ATOM 93 N LYS A 10 -5.543 2.220 -14.437 1.00 0.00 N ATOM 94 CA LYS A 10 -4.317 1.873 -15.146 1.00 0.00 C ATOM 95 C LYS A 10 -4.584 0.808 -16.204 1.00 0.00 C ATOM 96 O LYS A 10 -3.678 0.076 -16.604 1.00 0.00 O ATOM 97 CB LYS A 10 -3.257 1.374 -14.161 1.00 0.00 C ATOM 98 CG LYS A 10 -3.015 2.320 -12.998 1.00 0.00 C ATOM 99 CD LYS A 10 -1.593 2.857 -13.003 1.00 0.00 C ATOM 100 CE LYS A 10 -1.165 3.314 -11.617 1.00 0.00 C ATOM 101 NZ LYS A 10 0.307 3.522 -11.531 1.00 0.00 N ATOM 0 H LYS A 10 -5.856 1.517 -13.768 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.948 2.770 -15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.563 0.403 -13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.319 1.221 -14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.719 3.151 -13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.205 1.800 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.912 2.084 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.520 3.691 -13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.678 4.242 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.471 2.572 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.558 3.833 -10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.797 2.630 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.596 4.249 -12.217 1.00 0.00 H new ATOM 115 N TRP A 11 -5.831 0.727 -16.654 1.00 0.00 N ATOM 116 CA TRP A 11 -6.216 -0.248 -17.668 1.00 0.00 C ATOM 117 C TRP A 11 -5.664 0.140 -19.035 1.00 0.00 C ATOM 118 O TRP A 11 -5.812 1.281 -19.473 1.00 0.00 O ATOM 119 CB TRP A 11 -7.739 -0.370 -17.735 1.00 0.00 C ATOM 120 CG TRP A 11 -8.274 -1.555 -16.989 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.706 -2.168 -15.909 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.482 -2.270 -17.269 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.488 -3.221 -15.501 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.584 -3.304 -16.318 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.489 -2.136 -18.229 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.652 -4.198 -16.303 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.547 -3.024 -18.212 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.623 -4.044 -17.254 1.00 0.00 C ATOM 0 H TRP A 11 -6.593 1.325 -16.333 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.793 -1.213 -17.387 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.187 0.537 -17.330 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.045 -0.438 -18.779 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.778 -1.869 -15.444 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.285 -3.841 -14.717 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.441 -1.352 -18.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.711 -4.985 -15.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.330 -2.931 -18.950 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.464 -4.721 -17.267 1.00 0.00 H new ATOM 139 N SER A 12 -5.027 -0.815 -19.705 1.00 0.00 N ATOM 140 CA SER A 12 -4.449 -0.570 -21.021 1.00 0.00 C ATOM 141 C SER A 12 -5.529 -0.171 -22.022 1.00 0.00 C ATOM 142 O SER A 12 -6.719 -0.414 -21.820 1.00 0.00 O ATOM 143 CB SER A 12 -3.713 -1.816 -21.517 1.00 0.00 C ATOM 144 OG SER A 12 -3.508 -2.741 -20.464 1.00 0.00 O ATOM 0 H SER A 12 -4.898 -1.766 -19.358 1.00 0.00 H new ATOM 0 HA SER A 12 -3.739 0.252 -20.932 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.288 -2.289 -22.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.752 -1.529 -21.945 1.00 0.00 H new ATOM 0 HG SER A 12 -3.037 -3.529 -20.808 1.00 0.00 H new ATOM 150 N PRO A 13 -5.105 0.456 -23.130 1.00 0.00 N ATOM 151 CA PRO A 13 -6.019 0.902 -24.185 1.00 0.00 C ATOM 152 C PRO A 13 -6.624 -0.264 -24.960 1.00 0.00 C ATOM 153 O PRO A 13 -7.658 -0.119 -25.611 1.00 0.00 O ATOM 154 CB PRO A 13 -5.123 1.742 -25.099 1.00 0.00 C ATOM 155 CG PRO A 13 -3.749 1.210 -24.876 1.00 0.00 C ATOM 156 CD PRO A 13 -3.701 0.778 -23.436 1.00 0.00 C ATOM 0 HA PRO A 13 -6.871 1.448 -23.781 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.421 1.645 -26.143 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.183 2.801 -24.848 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.542 0.372 -25.542 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.997 1.973 -25.080 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.051 -0.086 -23.297 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.321 1.570 -22.791 1.00 0.00 H new ATOM 164 N SER A 14 -5.973 -1.421 -24.883 1.00 0.00 N ATOM 165 CA SER A 14 -6.445 -2.611 -25.580 1.00 0.00 C ATOM 166 C SER A 14 -7.316 -3.467 -24.664 1.00 0.00 C ATOM 167 O SER A 14 -8.175 -4.215 -25.129 1.00 0.00 O ATOM 168 CB SER A 14 -5.260 -3.433 -26.090 1.00 0.00 C ATOM 169 OG SER A 14 -4.039 -2.957 -25.550 1.00 0.00 O ATOM 0 H SER A 14 -5.118 -1.559 -24.345 1.00 0.00 H new ATOM 0 HA SER A 14 -7.047 -2.290 -26.430 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.397 -4.480 -25.820 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.223 -3.386 -27.178 1.00 0.00 H new ATOM 0 HG SER A 14 -3.297 -3.500 -25.890 1.00 0.00 H new ATOM 175 N GLN A 15 -7.086 -3.350 -23.360 1.00 0.00 N ATOM 176 CA GLN A 15 -7.848 -4.113 -22.379 1.00 0.00 C ATOM 177 C GLN A 15 -9.315 -3.696 -22.386 1.00 0.00 C ATOM 178 O GLN A 15 -10.211 -4.539 -22.411 1.00 0.00 O ATOM 179 CB GLN A 15 -7.257 -3.920 -20.981 1.00 0.00 C ATOM 180 CG GLN A 15 -6.022 -4.768 -20.721 1.00 0.00 C ATOM 181 CD GLN A 15 -6.346 -6.068 -20.011 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.224 -6.116 -19.149 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.637 -7.131 -20.370 1.00 0.00 N ATOM 0 H GLN A 15 -6.378 -2.734 -22.959 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.788 -5.167 -22.649 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.001 -2.869 -20.845 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.017 -4.162 -20.238 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.531 -4.989 -21.669 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.314 -4.197 -20.121 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.919 -7.046 -21.089 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.810 -8.033 -19.927 1.00 0.00 H new ATOM 192 N VAL A 16 -9.553 -2.388 -22.362 1.00 0.00 N ATOM 193 CA VAL A 16 -10.912 -1.859 -22.366 1.00 0.00 C ATOM 194 C VAL A 16 -11.731 -2.455 -23.505 1.00 0.00 C ATOM 195 O VAL A 16 -12.916 -2.749 -23.345 1.00 0.00 O ATOM 196 CB VAL A 16 -10.916 -0.324 -22.495 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.341 0.207 -22.511 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.116 0.307 -21.365 1.00 0.00 C ATOM 0 H VAL A 16 -8.823 -1.676 -22.340 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.363 -2.138 -21.414 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.443 -0.055 -23.439 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.324 1.293 -22.603 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.879 -0.220 -23.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.843 -0.071 -21.584 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.129 1.392 -21.471 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.558 0.031 -20.408 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.087 -0.049 -21.405 1.00 0.00 H new ATOM 208 N VAL A 17 -11.091 -2.633 -24.657 1.00 0.00 N ATOM 209 CA VAL A 17 -11.760 -3.196 -25.823 1.00 0.00 C ATOM 210 C VAL A 17 -12.333 -4.575 -25.516 1.00 0.00 C ATOM 211 O VAL A 17 -13.370 -4.962 -26.055 1.00 0.00 O ATOM 212 CB VAL A 17 -10.799 -3.307 -27.022 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.550 -3.743 -28.271 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.083 -1.985 -27.254 1.00 0.00 C ATOM 0 H VAL A 17 -10.110 -2.395 -24.807 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.573 -2.517 -26.080 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.050 -4.065 -26.796 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.854 -3.816 -29.107 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.011 -4.715 -28.097 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.323 -3.011 -28.505 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.408 -2.081 -28.105 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.816 -1.205 -27.459 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.511 -1.720 -26.365 1.00 0.00 H new ATOM 224 N ASP A 18 -11.652 -5.312 -24.645 1.00 0.00 N ATOM 225 CA ASP A 18 -12.093 -6.648 -24.264 1.00 0.00 C ATOM 226 C ASP A 18 -13.304 -6.577 -23.338 1.00 0.00 C ATOM 227 O ASP A 18 -14.106 -7.508 -23.277 1.00 0.00 O ATOM 228 CB ASP A 18 -10.956 -7.408 -23.580 1.00 0.00 C ATOM 229 CG ASP A 18 -11.174 -8.909 -23.591 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.958 -9.401 -22.752 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.562 -9.591 -24.438 1.00 0.00 O ATOM 0 H ASP A 18 -10.792 -5.006 -24.190 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.382 -7.181 -25.170 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.016 -7.177 -24.080 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.862 -7.065 -22.550 1.00 0.00 H new ATOM 236 N TRP A 19 -13.427 -5.467 -22.619 1.00 0.00 N ATOM 237 CA TRP A 19 -14.539 -5.275 -21.695 1.00 0.00 C ATOM 238 C TRP A 19 -15.846 -5.067 -22.452 1.00 0.00 C ATOM 239 O TRP A 19 -16.878 -5.633 -22.093 1.00 0.00 O ATOM 240 CB TRP A 19 -14.268 -4.079 -20.781 1.00 0.00 C ATOM 241 CG TRP A 19 -15.413 -3.758 -19.868 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.966 -4.578 -18.926 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.146 -2.529 -19.813 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.998 -3.934 -18.289 1.00 0.00 N ATOM 245 CE2 TRP A 19 -17.129 -2.675 -18.814 1.00 0.00 C ATOM 246 CE3 TRP A 19 -16.068 -1.320 -20.508 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -18.024 -1.657 -18.496 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.957 -0.311 -20.192 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.924 -0.484 -19.193 1.00 0.00 C ATOM 0 H TRP A 19 -12.771 -4.687 -22.658 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.633 -6.174 -21.086 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.381 -4.283 -20.182 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -14.045 -3.206 -21.394 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.639 -5.585 -18.713 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.574 -4.329 -17.545 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.326 -1.176 -21.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.770 -1.789 -17.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.906 0.627 -20.724 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.604 0.325 -18.969 1.00 0.00 H new ATOM 260 N MET A 20 -15.794 -4.252 -23.500 1.00 0.00 N ATOM 261 CA MET A 20 -16.976 -3.971 -24.308 1.00 0.00 C ATOM 262 C MET A 20 -17.514 -5.248 -24.945 1.00 0.00 C ATOM 263 O MET A 20 -18.694 -5.333 -25.288 1.00 0.00 O ATOM 264 CB MET A 20 -16.645 -2.945 -25.394 1.00 0.00 C ATOM 265 CG MET A 20 -15.917 -1.718 -24.869 1.00 0.00 C ATOM 266 SD MET A 20 -15.648 -0.472 -26.144 1.00 0.00 S ATOM 267 CE MET A 20 -17.337 -0.050 -26.567 1.00 0.00 C ATOM 0 H MET A 20 -14.947 -3.775 -23.810 1.00 0.00 H new ATOM 0 HA MET A 20 -17.745 -3.561 -23.653 1.00 0.00 H new ATOM 0 HB2 MET A 20 -16.031 -3.422 -26.158 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.569 -2.630 -25.878 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.493 -1.280 -24.054 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.956 -2.021 -24.454 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.444 1.034 -26.600 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.583 -0.469 -27.543 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.013 -0.458 -25.816 1.00 0.00 H new ATOM 277 N LYS A 21 -16.643 -6.239 -25.102 1.00 0.00 N ATOM 278 CA LYS A 21 -17.031 -7.512 -25.697 1.00 0.00 C ATOM 279 C LYS A 21 -18.038 -8.242 -24.813 1.00 0.00 C ATOM 280 O LYS A 21 -18.689 -9.189 -25.250 1.00 0.00 O ATOM 281 CB LYS A 21 -15.798 -8.391 -25.918 1.00 0.00 C ATOM 282 CG LYS A 21 -14.816 -7.820 -26.926 1.00 0.00 C ATOM 283 CD LYS A 21 -14.081 -8.920 -27.673 1.00 0.00 C ATOM 284 CE LYS A 21 -13.122 -8.347 -28.706 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.166 -9.374 -29.204 1.00 0.00 N ATOM 0 H LYS A 21 -15.663 -6.185 -24.825 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.501 -7.307 -26.659 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.287 -8.532 -24.965 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.120 -9.376 -26.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.349 -7.189 -27.637 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.095 -7.183 -26.413 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.528 -9.536 -26.964 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.803 -9.571 -28.166 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.690 -7.943 -29.544 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.568 -7.518 -28.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.530 -8.945 -29.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.606 -9.742 -28.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.693 -10.154 -29.646 1.00 0.00 H new ATOM 299 N GLY A 22 -18.160 -7.792 -23.568 1.00 0.00 N ATOM 300 CA GLY A 22 -19.090 -8.414 -22.643 1.00 0.00 C ATOM 301 C GLY A 22 -20.176 -7.460 -22.184 1.00 0.00 C ATOM 302 O GLY A 22 -20.712 -7.600 -21.084 1.00 0.00 O ATOM 0 H GLY A 22 -17.632 -7.009 -23.183 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.549 -9.279 -23.121 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.543 -8.782 -21.775 1.00 0.00 H new ATOM 306 N LEU A 23 -20.500 -6.486 -23.028 1.00 0.00 N ATOM 307 CA LEU A 23 -21.528 -5.503 -22.702 1.00 0.00 C ATOM 308 C LEU A 23 -22.681 -5.570 -23.699 1.00 0.00 C ATOM 309 O LEU A 23 -22.757 -6.490 -24.514 1.00 0.00 O ATOM 310 CB LEU A 23 -20.930 -4.096 -22.690 1.00 0.00 C ATOM 311 CG LEU A 23 -19.662 -3.912 -21.855 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.235 -2.453 -21.848 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.882 -4.413 -20.435 1.00 0.00 C ATOM 0 H LEU A 23 -20.066 -6.356 -23.942 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.916 -5.734 -21.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.709 -3.808 -23.718 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.687 -3.404 -22.321 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.863 -4.500 -22.307 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.331 -2.341 -21.249 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -19.036 -2.127 -22.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.031 -1.843 -21.421 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.970 -4.274 -19.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.694 -3.852 -19.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.140 -5.472 -20.459 1.00 0.00 H new ATOM 325 N ASP A 24 -23.573 -4.589 -23.630 1.00 0.00 N ATOM 326 CA ASP A 24 -24.720 -4.534 -24.529 1.00 0.00 C ATOM 327 C ASP A 24 -24.277 -4.659 -25.984 1.00 0.00 C ATOM 328 O ASP A 24 -23.180 -4.234 -26.347 1.00 0.00 O ATOM 329 CB ASP A 24 -25.492 -3.229 -24.328 1.00 0.00 C ATOM 330 CG ASP A 24 -26.955 -3.465 -24.007 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.272 -3.698 -22.822 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.782 -3.417 -24.941 1.00 0.00 O ATOM 0 H ASP A 24 -23.524 -3.821 -22.961 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.374 -5.373 -24.294 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.033 -2.660 -23.520 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.414 -2.622 -25.230 1.00 0.00 H new ATOM 337 N ASP A 25 -25.137 -5.243 -26.811 1.00 0.00 N ATOM 338 CA ASP A 25 -24.835 -5.424 -28.226 1.00 0.00 C ATOM 339 C ASP A 25 -24.741 -4.077 -28.937 1.00 0.00 C ATOM 340 O ASP A 25 -24.061 -3.948 -29.956 1.00 0.00 O ATOM 341 CB ASP A 25 -25.903 -6.293 -28.891 1.00 0.00 C ATOM 342 CG ASP A 25 -25.305 -7.381 -29.760 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.341 -8.036 -29.312 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.800 -7.578 -30.890 1.00 0.00 O ATOM 0 H ASP A 25 -26.049 -5.599 -26.526 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.870 -5.925 -28.306 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.527 -6.748 -28.122 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.553 -5.663 -29.498 1.00 0.00 H new ATOM 349 N CYS A 26 -25.429 -3.079 -28.395 1.00 0.00 N ATOM 350 CA CYS A 26 -25.425 -1.742 -28.979 1.00 0.00 C ATOM 351 C CYS A 26 -24.067 -1.072 -28.794 1.00 0.00 C ATOM 352 O CYS A 26 -23.704 -0.163 -29.542 1.00 0.00 O ATOM 353 CB CYS A 26 -26.521 -0.883 -28.346 1.00 0.00 C ATOM 354 SG CYS A 26 -28.190 -1.281 -28.916 1.00 0.00 S ATOM 0 H CYS A 26 -25.997 -3.170 -27.552 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.620 -1.838 -30.047 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.480 -1.001 -27.263 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.316 0.166 -28.561 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.048 -0.504 -28.324 1.00 0.00 H new ATOM 360 N LEU A 27 -23.321 -1.526 -27.793 1.00 0.00 N ATOM 361 CA LEU A 27 -22.003 -0.969 -27.509 1.00 0.00 C ATOM 362 C LEU A 27 -20.908 -1.790 -28.183 1.00 0.00 C ATOM 363 O LEU A 27 -19.749 -1.752 -27.771 1.00 0.00 O ATOM 364 CB LEU A 27 -21.763 -0.921 -25.999 1.00 0.00 C ATOM 365 CG LEU A 27 -22.961 -0.510 -25.142 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.638 -0.664 -23.664 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.373 0.921 -25.453 1.00 0.00 C ATOM 0 H LEU A 27 -23.606 -2.278 -27.165 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.970 0.044 -27.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.429 -1.906 -25.673 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.946 -0.227 -25.803 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.797 -1.168 -25.381 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.502 -0.367 -23.070 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.392 -1.704 -23.452 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.788 -0.031 -23.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.227 1.196 -24.834 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.541 1.593 -25.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.647 1.000 -26.505 1.00 0.00 H new ATOM 379 N GLN A 28 -21.284 -2.528 -29.222 1.00 0.00 N ATOM 380 CA GLN A 28 -20.333 -3.356 -29.954 1.00 0.00 C ATOM 381 C GLN A 28 -19.743 -2.593 -31.135 1.00 0.00 C ATOM 382 O GLN A 28 -18.530 -2.598 -31.344 1.00 0.00 O ATOM 383 CB GLN A 28 -21.013 -4.635 -30.447 1.00 0.00 C ATOM 384 CG GLN A 28 -21.526 -5.523 -29.325 1.00 0.00 C ATOM 385 CD GLN A 28 -20.408 -6.083 -28.467 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.393 -6.555 -28.979 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.589 -6.034 -27.152 1.00 0.00 N ATOM 0 H GLN A 28 -22.240 -2.570 -29.576 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.523 -3.621 -29.275 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.846 -4.366 -31.096 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.306 -5.202 -31.053 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.209 -4.951 -28.697 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.099 -6.346 -29.751 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.446 -5.634 -26.770 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.871 -6.396 -26.525 1.00 0.00 H new ATOM 396 N GLN A 29 -20.608 -1.939 -31.903 1.00 0.00 N ATOM 397 CA GLN A 29 -20.171 -1.172 -33.064 1.00 0.00 C ATOM 398 C GLN A 29 -19.127 -0.133 -32.668 1.00 0.00 C ATOM 399 O GLN A 29 -18.298 0.271 -33.483 1.00 0.00 O ATOM 400 CB GLN A 29 -21.366 -0.486 -33.727 1.00 0.00 C ATOM 401 CG GLN A 29 -22.158 0.404 -32.783 1.00 0.00 C ATOM 402 CD GLN A 29 -23.591 0.604 -33.234 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.875 1.453 -34.080 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.504 -0.179 -32.671 1.00 0.00 N ATOM 0 H GLN A 29 -21.615 -1.925 -31.743 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.718 -1.862 -33.775 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.011 0.113 -34.566 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.029 -1.247 -34.137 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.153 -0.036 -31.786 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.667 1.374 -32.706 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.224 -0.869 -31.974 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.485 -0.090 -32.935 1.00 0.00 H new ATOM 413 N TYR A 30 -19.175 0.296 -31.411 1.00 0.00 N ATOM 414 CA TYR A 30 -18.235 1.291 -30.908 1.00 0.00 C ATOM 415 C TYR A 30 -16.865 0.669 -30.657 1.00 0.00 C ATOM 416 O TYR A 30 -15.843 1.354 -30.698 1.00 0.00 O ATOM 417 CB TYR A 30 -18.767 1.918 -29.618 1.00 0.00 C ATOM 418 CG TYR A 30 -20.143 2.526 -29.763 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.469 3.302 -30.868 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.119 2.325 -28.794 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.725 3.860 -31.004 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.378 2.878 -28.922 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.676 3.645 -30.029 1.00 0.00 C ATOM 424 OH TYR A 30 -23.929 4.199 -30.161 1.00 0.00 O ATOM 0 H TYR A 30 -19.854 -0.029 -30.723 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.127 2.068 -31.665 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.796 1.156 -28.839 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.072 2.689 -29.285 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.727 3.472 -31.634 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.889 1.726 -27.926 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.961 4.462 -31.869 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.125 2.711 -28.160 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.580 3.658 -29.666 1.00 0.00 H new ATOM 434 N ILE A 31 -16.853 -0.635 -30.398 1.00 0.00 N ATOM 435 CA ILE A 31 -15.609 -1.351 -30.143 1.00 0.00 C ATOM 436 C ILE A 31 -14.588 -1.089 -31.244 1.00 0.00 C ATOM 437 O ILE A 31 -13.413 -0.841 -30.972 1.00 0.00 O ATOM 438 CB ILE A 31 -15.847 -2.868 -30.028 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.874 -3.164 -28.933 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.538 -3.589 -29.743 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.192 -4.635 -28.784 1.00 0.00 C ATOM 0 H ILE A 31 -17.690 -1.216 -30.359 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.219 -0.980 -29.195 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.241 -3.232 -30.977 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.500 -2.784 -27.983 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.794 -2.622 -29.153 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.722 -4.660 -29.664 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.835 -3.400 -30.554 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.118 -3.223 -28.806 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.927 -4.770 -27.990 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.597 -5.017 -29.721 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.282 -5.180 -28.533 1.00 0.00 H new ATOM 453 N LYS A 32 -15.044 -1.144 -32.491 1.00 0.00 N ATOM 454 CA LYS A 32 -14.172 -0.911 -33.636 1.00 0.00 C ATOM 455 C LYS A 32 -13.575 0.492 -33.588 1.00 0.00 C ATOM 456 O LYS A 32 -12.477 0.727 -34.092 1.00 0.00 O ATOM 457 CB LYS A 32 -14.948 -1.101 -34.942 1.00 0.00 C ATOM 458 CG LYS A 32 -15.360 -2.540 -35.199 1.00 0.00 C ATOM 459 CD LYS A 32 -15.573 -2.802 -36.681 1.00 0.00 C ATOM 460 CE LYS A 32 -15.706 -4.290 -36.970 1.00 0.00 C ATOM 461 NZ LYS A 32 -17.108 -4.668 -37.299 1.00 0.00 N ATOM 0 H LYS A 32 -16.013 -1.348 -32.734 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.359 -1.636 -33.595 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.840 -0.475 -34.920 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.335 -0.753 -35.773 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.593 -3.213 -34.816 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.278 -2.760 -34.654 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.470 -2.283 -37.018 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.736 -2.393 -37.248 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.053 -4.558 -37.801 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.370 -4.860 -36.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.157 -5.689 -37.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.728 -4.435 -36.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.420 -4.144 -38.141 1.00 0.00 H new ATOM 475 N ASN A 33 -14.304 1.420 -32.976 1.00 0.00 N ATOM 476 CA ASN A 33 -13.845 2.799 -32.861 1.00 0.00 C ATOM 477 C ASN A 33 -12.908 2.964 -31.668 1.00 0.00 C ATOM 478 O ASN A 33 -12.018 3.814 -31.676 1.00 0.00 O ATOM 479 CB ASN A 33 -15.039 3.746 -32.721 1.00 0.00 C ATOM 480 CG ASN A 33 -15.778 3.943 -34.031 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.237 3.683 -35.106 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.020 4.403 -33.945 1.00 0.00 N ATOM 0 H ASN A 33 -15.215 1.242 -32.552 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.296 3.049 -33.769 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.728 3.350 -31.975 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.692 4.712 -32.354 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.567 4.555 -34.792 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.427 4.605 -33.032 1.00 0.00 H new ATOM 489 N PHE A 34 -13.115 2.143 -30.643 1.00 0.00 N ATOM 490 CA PHE A 34 -12.290 2.197 -29.442 1.00 0.00 C ATOM 491 C PHE A 34 -10.921 1.572 -29.694 1.00 0.00 C ATOM 492 O PHE A 34 -9.932 1.947 -29.066 1.00 0.00 O ATOM 493 CB PHE A 34 -12.987 1.477 -28.286 1.00 0.00 C ATOM 494 CG PHE A 34 -13.923 2.358 -27.509 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.919 3.073 -28.154 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.806 2.471 -26.133 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.781 3.884 -27.440 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.665 3.281 -25.414 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.655 3.988 -26.069 1.00 0.00 C ATOM 0 H PHE A 34 -13.847 1.433 -30.620 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.148 3.244 -29.176 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.544 0.627 -28.681 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.232 1.077 -27.610 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.023 2.996 -29.226 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.035 1.920 -25.616 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.553 4.436 -27.955 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.562 3.361 -24.342 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.329 4.620 -25.510 1.00 0.00 H new ATOM 509 N GLU A 35 -10.874 0.616 -30.617 1.00 0.00 N ATOM 510 CA GLU A 35 -9.628 -0.062 -30.951 1.00 0.00 C ATOM 511 C GLU A 35 -8.640 0.904 -31.600 1.00 0.00 C ATOM 512 O GLU A 35 -7.446 0.880 -31.301 1.00 0.00 O ATOM 513 CB GLU A 35 -9.897 -1.239 -31.890 1.00 0.00 C ATOM 514 CG GLU A 35 -9.591 -2.593 -31.273 1.00 0.00 C ATOM 515 CD GLU A 35 -8.152 -3.021 -31.490 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.352 -2.191 -31.969 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.827 -4.186 -31.179 1.00 0.00 O ATOM 0 H GLU A 35 -11.684 0.294 -31.146 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.190 -0.437 -30.026 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.943 -1.217 -32.196 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.298 -1.117 -32.793 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.798 -2.556 -30.203 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.257 -3.342 -31.701 1.00 0.00 H new ATOM 524 N ARG A 36 -9.147 1.751 -32.489 1.00 0.00 N ATOM 525 CA ARG A 36 -8.309 2.724 -33.181 1.00 0.00 C ATOM 526 C ARG A 36 -8.084 3.960 -32.316 1.00 0.00 C ATOM 527 O ARG A 36 -7.081 4.658 -32.464 1.00 0.00 O ATOM 528 CB ARG A 36 -8.952 3.127 -34.510 1.00 0.00 C ATOM 529 CG ARG A 36 -7.946 3.541 -35.572 1.00 0.00 C ATOM 530 CD ARG A 36 -8.572 3.553 -36.957 1.00 0.00 C ATOM 531 NE ARG A 36 -8.305 4.801 -37.667 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.847 5.109 -38.840 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.681 4.265 -39.431 1.00 0.00 N ATOM 534 NH2 ARG A 36 -8.555 6.265 -39.424 1.00 0.00 N ATOM 0 H ARG A 36 -10.133 1.784 -32.747 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.343 2.260 -33.378 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.542 2.292 -34.887 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.643 3.952 -34.335 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.556 4.532 -35.339 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.099 2.855 -35.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.184 2.716 -37.537 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.649 3.409 -36.869 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.668 5.473 -37.239 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.908 3.376 -38.985 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.096 4.504 -40.332 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.914 6.917 -38.972 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.971 6.501 -40.325 1.00 0.00 H new ATOM 548 N GLU A 37 -9.025 4.226 -31.415 1.00 0.00 N ATOM 549 CA GLU A 37 -8.929 5.379 -30.528 1.00 0.00 C ATOM 550 C GLU A 37 -7.967 5.101 -29.377 1.00 0.00 C ATOM 551 O GLU A 37 -7.444 6.025 -28.752 1.00 0.00 O ATOM 552 CB GLU A 37 -10.309 5.744 -29.978 1.00 0.00 C ATOM 553 CG GLU A 37 -11.049 6.769 -30.821 1.00 0.00 C ATOM 554 CD GLU A 37 -11.196 8.105 -30.120 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.211 8.561 -29.502 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.295 8.694 -30.188 1.00 0.00 O ATOM 0 H GLU A 37 -9.862 3.659 -31.280 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.543 6.219 -31.106 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.913 4.840 -29.907 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.196 6.132 -28.966 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.517 6.913 -31.761 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.037 6.383 -31.070 1.00 0.00 H new ATOM 563 N LYS A 38 -7.739 3.822 -29.100 1.00 0.00 N ATOM 564 CA LYS A 38 -6.841 3.420 -28.024 1.00 0.00 C ATOM 565 C LYS A 38 -7.300 3.994 -26.688 1.00 0.00 C ATOM 566 O LYS A 38 -6.484 4.435 -25.878 1.00 0.00 O ATOM 567 CB LYS A 38 -5.413 3.880 -28.325 1.00 0.00 C ATOM 568 CG LYS A 38 -4.867 3.347 -29.639 1.00 0.00 C ATOM 569 CD LYS A 38 -4.378 1.916 -29.500 1.00 0.00 C ATOM 570 CE LYS A 38 -4.120 1.280 -30.858 1.00 0.00 C ATOM 571 NZ LYS A 38 -3.135 2.059 -31.657 1.00 0.00 N ATOM 0 H LYS A 38 -8.164 3.045 -29.606 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.860 2.332 -27.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.388 4.970 -28.346 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.759 3.562 -27.513 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.643 3.395 -30.403 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.048 3.981 -29.978 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.462 1.899 -28.909 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.118 1.329 -28.957 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.752 0.263 -30.719 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.058 1.207 -31.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.897 1.534 -32.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.546 2.980 -31.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.273 2.209 -31.095 1.00 0.00 H new ATOM 585 N ILE A 39 -8.610 3.985 -26.464 1.00 0.00 N ATOM 586 CA ILE A 39 -9.176 4.503 -25.224 1.00 0.00 C ATOM 587 C ILE A 39 -8.638 3.745 -24.015 1.00 0.00 C ATOM 588 O ILE A 39 -8.954 2.573 -23.814 1.00 0.00 O ATOM 589 CB ILE A 39 -10.714 4.416 -25.228 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.287 5.196 -26.413 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.277 4.943 -23.917 1.00 0.00 C ATOM 592 CD1 ILE A 39 -10.989 6.678 -26.362 1.00 0.00 C ATOM 0 H ILE A 39 -9.299 3.625 -27.124 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.879 5.550 -25.155 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.005 3.371 -25.331 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.883 4.784 -27.338 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.367 5.052 -26.444 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.365 4.875 -23.935 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.890 4.348 -23.090 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.980 5.984 -23.786 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.425 7.167 -27.233 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.417 7.104 -25.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.910 6.832 -26.362 1.00 0.00 H new ATOM 604 N SER A 40 -7.825 4.424 -23.212 1.00 0.00 N ATOM 605 CA SER A 40 -7.242 3.815 -22.023 1.00 0.00 C ATOM 606 C SER A 40 -8.203 3.899 -20.841 1.00 0.00 C ATOM 607 O SER A 40 -9.163 4.668 -20.862 1.00 0.00 O ATOM 608 CB SER A 40 -5.920 4.500 -21.669 1.00 0.00 C ATOM 609 OG SER A 40 -6.052 5.910 -21.703 1.00 0.00 O ATOM 0 H SER A 40 -7.555 5.396 -23.363 1.00 0.00 H new ATOM 0 HA SER A 40 -7.052 2.764 -22.240 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.598 4.185 -20.676 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.146 4.187 -22.369 1.00 0.00 H new ATOM 0 HG SER A 40 -5.195 6.324 -21.472 1.00 0.00 H new ATOM 615 N GLY A 41 -7.937 3.101 -19.812 1.00 0.00 N ATOM 616 CA GLY A 41 -8.787 3.100 -18.635 1.00 0.00 C ATOM 617 C GLY A 41 -8.908 4.474 -18.006 1.00 0.00 C ATOM 618 O GLY A 41 -9.998 4.890 -17.614 1.00 0.00 O ATOM 0 H GLY A 41 -7.148 2.455 -19.772 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.779 2.740 -18.907 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.385 2.402 -17.901 1.00 0.00 H new ATOM 622 N ASP A 42 -7.787 5.179 -17.908 1.00 0.00 N ATOM 623 CA ASP A 42 -7.772 6.514 -17.321 1.00 0.00 C ATOM 624 C ASP A 42 -8.823 7.406 -17.974 1.00 0.00 C ATOM 625 O ASP A 42 -9.362 8.311 -17.338 1.00 0.00 O ATOM 626 CB ASP A 42 -6.386 7.144 -17.471 1.00 0.00 C ATOM 627 CG ASP A 42 -6.341 8.571 -16.961 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.473 8.767 -15.735 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.176 9.492 -17.788 1.00 0.00 O ATOM 0 H ASP A 42 -6.876 4.849 -18.227 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.008 6.421 -16.261 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.656 6.544 -16.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.094 7.127 -18.521 1.00 0.00 H new ATOM 634 N GLN A 43 -9.109 7.144 -19.245 1.00 0.00 N ATOM 635 CA GLN A 43 -10.094 7.924 -19.983 1.00 0.00 C ATOM 636 C GLN A 43 -11.491 7.334 -19.818 1.00 0.00 C ATOM 637 O GLN A 43 -12.492 8.046 -19.905 1.00 0.00 O ATOM 638 CB GLN A 43 -9.724 7.982 -21.466 1.00 0.00 C ATOM 639 CG GLN A 43 -8.598 8.955 -21.775 1.00 0.00 C ATOM 640 CD GLN A 43 -8.540 9.334 -23.242 1.00 0.00 C ATOM 641 OE1 GLN A 43 -7.813 8.721 -24.024 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.308 10.348 -23.623 1.00 0.00 N ATOM 0 H GLN A 43 -8.672 6.397 -19.785 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.096 8.936 -19.577 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.433 6.986 -21.798 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.606 8.265 -22.041 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.727 9.856 -21.176 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.647 8.510 -21.481 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.895 10.828 -22.941 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.311 10.647 -24.598 1.00 0.00 H new ATOM 651 N LEU A 44 -11.551 6.029 -19.579 1.00 0.00 N ATOM 652 CA LEU A 44 -12.826 5.341 -19.402 1.00 0.00 C ATOM 653 C LEU A 44 -13.437 5.669 -18.043 1.00 0.00 C ATOM 654 O LEU A 44 -14.638 5.917 -17.934 1.00 0.00 O ATOM 655 CB LEU A 44 -12.636 3.830 -19.538 1.00 0.00 C ATOM 656 CG LEU A 44 -13.884 2.974 -19.317 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.540 2.635 -20.646 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.532 1.705 -18.554 1.00 0.00 C ATOM 0 H LEU A 44 -10.732 5.425 -19.503 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.508 5.686 -20.179 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.248 3.621 -20.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.873 3.514 -18.827 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.594 3.547 -18.721 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.426 2.026 -20.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.828 3.555 -21.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.837 2.081 -21.268 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.432 1.108 -18.406 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.804 1.128 -19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.108 1.969 -17.585 1.00 0.00 H new ATOM 670 N LEU A 45 -12.602 5.670 -17.010 1.00 0.00 N ATOM 671 CA LEU A 45 -13.059 5.970 -15.657 1.00 0.00 C ATOM 672 C LEU A 45 -13.603 7.392 -15.569 1.00 0.00 C ATOM 673 O LEU A 45 -14.476 7.683 -14.750 1.00 0.00 O ATOM 674 CB LEU A 45 -11.914 5.787 -14.659 1.00 0.00 C ATOM 675 CG LEU A 45 -12.246 4.994 -13.395 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.753 3.605 -13.754 1.00 0.00 C ATOM 677 CD2 LEU A 45 -11.028 4.900 -12.488 1.00 0.00 C ATOM 0 H LEU A 45 -11.605 5.467 -17.083 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.863 5.277 -15.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.089 5.290 -15.170 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.557 6.773 -14.362 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.035 5.519 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.984 3.055 -12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.653 3.692 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.986 3.071 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.283 4.332 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.218 4.398 -13.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.709 5.902 -12.203 1.00 0.00 H new ATOM 689 N ARG A 46 -13.084 8.272 -16.418 1.00 0.00 N ATOM 690 CA ARG A 46 -13.520 9.664 -16.437 1.00 0.00 C ATOM 691 C ARG A 46 -14.084 10.039 -17.804 1.00 0.00 C ATOM 692 O ARG A 46 -13.982 11.188 -18.234 1.00 0.00 O ATOM 693 CB ARG A 46 -12.354 10.589 -16.083 1.00 0.00 C ATOM 694 CG ARG A 46 -11.210 10.538 -17.082 1.00 0.00 C ATOM 695 CD ARG A 46 -11.004 11.883 -17.762 1.00 0.00 C ATOM 696 NE ARG A 46 -10.076 12.734 -17.021 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.526 13.833 -17.525 1.00 0.00 C ATOM 698 NH1 ARG A 46 -9.809 14.213 -18.763 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.692 14.555 -16.788 1.00 0.00 N ATOM 0 H ARG A 46 -12.361 8.047 -17.102 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.308 9.782 -15.694 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.721 11.613 -16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.976 10.321 -15.096 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.293 10.243 -16.572 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.416 9.776 -17.834 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.624 11.725 -18.771 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.963 12.391 -17.859 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.838 12.470 -16.065 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.451 13.661 -19.332 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.385 15.058 -19.147 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.473 14.266 -15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.270 15.399 -17.175 1.00 0.00 H new ATOM 713 N ILE A 47 -14.678 9.062 -18.481 1.00 0.00 N ATOM 714 CA ILE A 47 -15.258 9.290 -19.799 1.00 0.00 C ATOM 715 C ILE A 47 -16.542 10.107 -19.700 1.00 0.00 C ATOM 716 O ILE A 47 -17.433 9.793 -18.909 1.00 0.00 O ATOM 717 CB ILE A 47 -15.562 7.963 -20.518 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.088 8.231 -21.929 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.567 7.146 -19.719 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.215 7.649 -23.019 1.00 0.00 C ATOM 0 H ILE A 47 -14.770 8.106 -18.139 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.519 9.846 -20.377 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.638 7.390 -20.598 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.092 7.817 -22.019 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.173 9.307 -22.078 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.772 6.211 -20.240 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.158 6.930 -18.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.492 7.712 -19.612 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.648 7.877 -23.993 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.217 8.082 -22.956 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.150 6.568 -22.895 1.00 0.00 H new ATOM 732 N THR A 48 -16.632 11.158 -20.509 1.00 0.00 N ATOM 733 CA THR A 48 -17.807 12.021 -20.514 1.00 0.00 C ATOM 734 C THR A 48 -18.528 11.960 -21.856 1.00 0.00 C ATOM 735 O THR A 48 -17.984 11.463 -22.842 1.00 0.00 O ATOM 736 CB THR A 48 -17.431 13.483 -20.211 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.613 14.290 -20.149 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.492 14.032 -21.274 1.00 0.00 C ATOM 0 H THR A 48 -15.905 11.432 -21.170 1.00 0.00 H new ATOM 0 HA THR A 48 -18.472 11.655 -19.731 1.00 0.00 H new ATOM 0 HB THR A 48 -16.921 13.512 -19.248 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.366 15.218 -19.954 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.241 15.066 -21.038 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.581 13.434 -21.299 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.980 13.990 -22.248 1.00 0.00 H new ATOM 746 N HIS A 49 -19.755 12.471 -21.887 1.00 0.00 N ATOM 747 CA HIS A 49 -20.550 12.476 -23.109 1.00 0.00 C ATOM 748 C HIS A 49 -19.769 13.097 -24.263 1.00 0.00 C ATOM 749 O HIS A 49 -19.950 12.720 -25.421 1.00 0.00 O ATOM 750 CB HIS A 49 -21.855 13.243 -22.891 1.00 0.00 C ATOM 751 CG HIS A 49 -22.965 12.395 -22.352 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.015 11.964 -21.043 1.00 0.00 N ATOM 753 CD2 HIS A 49 -24.072 11.900 -22.952 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.104 11.238 -20.862 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.763 11.184 -22.005 1.00 0.00 N ATOM 0 H HIS A 49 -20.220 12.887 -21.080 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.783 11.442 -23.365 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.671 14.068 -22.202 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.171 13.682 -23.837 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -24.359 12.041 -23.984 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -24.404 10.769 -19.937 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.642 10.691 -22.160 1.00 0.00 H new ATOM 763 N GLN A 50 -18.901 14.050 -23.939 1.00 0.00 N ATOM 764 CA GLN A 50 -18.093 14.723 -24.949 1.00 0.00 C ATOM 765 C GLN A 50 -17.105 13.755 -25.591 1.00 0.00 C ATOM 766 O GLN A 50 -16.810 13.853 -26.781 1.00 0.00 O ATOM 767 CB GLN A 50 -17.341 15.902 -24.329 1.00 0.00 C ATOM 768 CG GLN A 50 -17.601 17.226 -25.028 1.00 0.00 C ATOM 769 CD GLN A 50 -16.461 18.211 -24.857 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.900 18.704 -25.835 1.00 0.00 O ATOM 771 NE2 GLN A 50 -16.113 18.503 -23.609 1.00 0.00 N ATOM 0 H GLN A 50 -18.739 14.373 -22.985 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.763 15.096 -25.724 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.625 15.992 -23.281 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.272 15.692 -24.352 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.764 17.046 -26.091 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.518 17.666 -24.635 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.606 18.071 -22.828 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.353 19.160 -23.432 1.00 0.00 H new ATOM 780 N GLU A 51 -16.597 12.821 -24.793 1.00 0.00 N ATOM 781 CA GLU A 51 -15.641 11.835 -25.284 1.00 0.00 C ATOM 782 C GLU A 51 -16.334 10.792 -26.155 1.00 0.00 C ATOM 783 O GLU A 51 -15.890 10.499 -27.266 1.00 0.00 O ATOM 784 CB GLU A 51 -14.934 11.150 -24.113 1.00 0.00 C ATOM 785 CG GLU A 51 -13.732 11.920 -23.592 1.00 0.00 C ATOM 786 CD GLU A 51 -12.416 11.353 -24.089 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.100 10.195 -23.744 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.702 12.068 -24.823 1.00 0.00 O ATOM 0 H GLU A 51 -16.831 12.726 -23.805 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.901 12.356 -25.891 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.647 11.012 -23.300 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.611 10.157 -24.425 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.813 12.963 -23.898 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.741 11.906 -22.502 1.00 0.00 H new ATOM 795 N LEU A 52 -17.425 10.233 -25.643 1.00 0.00 N ATOM 796 CA LEU A 52 -18.181 9.221 -26.373 1.00 0.00 C ATOM 797 C LEU A 52 -18.622 9.748 -27.735 1.00 0.00 C ATOM 798 O LEU A 52 -18.615 9.017 -28.725 1.00 0.00 O ATOM 799 CB LEU A 52 -19.403 8.785 -25.562 1.00 0.00 C ATOM 800 CG LEU A 52 -19.133 7.816 -24.410 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.375 7.654 -23.547 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.673 6.468 -24.945 1.00 0.00 C ATOM 0 H LEU A 52 -17.806 10.463 -24.725 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.531 8.360 -26.530 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.882 9.676 -25.156 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.118 8.321 -26.241 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.337 8.230 -23.791 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.164 6.961 -22.732 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.661 8.622 -23.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.191 7.263 -24.154 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.485 5.791 -24.112 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.447 6.048 -25.587 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.756 6.598 -25.520 1.00 0.00 H new ATOM 814 N GLU A 53 -19.004 11.020 -27.776 1.00 0.00 N ATOM 815 CA GLU A 53 -19.446 11.644 -29.017 1.00 0.00 C ATOM 816 C GLU A 53 -18.311 11.694 -30.036 1.00 0.00 C ATOM 817 O GLU A 53 -18.548 11.718 -31.244 1.00 0.00 O ATOM 818 CB GLU A 53 -19.966 13.058 -28.747 1.00 0.00 C ATOM 819 CG GLU A 53 -21.281 13.367 -29.442 1.00 0.00 C ATOM 820 CD GLU A 53 -21.854 14.711 -29.036 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.076 15.570 -28.572 1.00 0.00 O ATOM 822 OE2 GLU A 53 -23.079 14.903 -29.183 1.00 0.00 O ATOM 0 H GLU A 53 -19.016 11.638 -26.965 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.254 11.040 -29.429 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.093 13.190 -27.673 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.216 13.780 -29.070 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.129 13.352 -30.521 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.003 12.584 -29.211 1.00 0.00 H new ATOM 829 N ASP A 54 -17.079 11.710 -29.540 1.00 0.00 N ATOM 830 CA ASP A 54 -15.907 11.756 -30.406 1.00 0.00 C ATOM 831 C ASP A 54 -15.670 10.404 -31.072 1.00 0.00 C ATOM 832 O ASP A 54 -15.325 10.334 -32.253 1.00 0.00 O ATOM 833 CB ASP A 54 -14.671 12.167 -29.604 1.00 0.00 C ATOM 834 CG ASP A 54 -13.429 12.272 -30.468 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.450 13.050 -31.446 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.436 11.578 -30.167 1.00 0.00 O ATOM 0 H ASP A 54 -16.866 11.692 -28.543 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.089 12.497 -31.184 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.857 13.127 -29.122 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.498 11.440 -28.811 1.00 0.00 H new ATOM 841 N LEU A 55 -15.856 9.333 -30.309 1.00 0.00 N ATOM 842 CA LEU A 55 -15.661 7.983 -30.825 1.00 0.00 C ATOM 843 C LEU A 55 -16.719 7.641 -31.869 1.00 0.00 C ATOM 844 O LEU A 55 -16.462 6.882 -32.802 1.00 0.00 O ATOM 845 CB LEU A 55 -15.710 6.967 -29.682 1.00 0.00 C ATOM 846 CG LEU A 55 -14.644 7.126 -28.597 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.273 7.036 -27.215 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.557 6.074 -28.759 1.00 0.00 C ATOM 0 H LEU A 55 -16.142 9.373 -29.331 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.681 7.940 -31.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.691 7.027 -29.211 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.621 5.967 -30.107 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.188 8.110 -28.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.500 7.151 -26.455 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.015 7.826 -27.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.756 6.066 -27.097 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.807 6.202 -27.978 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.998 5.080 -28.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.086 6.185 -29.736 1.00 0.00 H new ATOM 860 N GLY A 56 -17.910 8.210 -31.706 1.00 0.00 N ATOM 861 CA GLY A 56 -18.988 7.955 -32.643 1.00 0.00 C ATOM 862 C GLY A 56 -20.264 7.515 -31.953 1.00 0.00 C ATOM 863 O GLY A 56 -21.016 6.698 -32.485 1.00 0.00 O ATOM 0 H GLY A 56 -18.147 8.843 -30.942 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.184 8.858 -33.221 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.677 7.186 -33.350 1.00 0.00 H new ATOM 867 N VAL A 57 -20.510 8.057 -30.765 1.00 0.00 N ATOM 868 CA VAL A 57 -21.704 7.716 -30.000 1.00 0.00 C ATOM 869 C VAL A 57 -22.585 8.940 -29.781 1.00 0.00 C ATOM 870 O VAL A 57 -22.412 9.675 -28.809 1.00 0.00 O ATOM 871 CB VAL A 57 -21.340 7.107 -28.633 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.584 6.583 -27.933 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.307 6.002 -28.800 1.00 0.00 C ATOM 0 H VAL A 57 -19.898 8.735 -30.311 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.253 6.977 -30.584 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.905 7.889 -28.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.307 6.157 -26.969 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.287 7.402 -27.779 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.051 5.815 -28.549 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.061 5.583 -27.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.713 5.218 -29.440 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.406 6.412 -29.256 1.00 0.00 H new ATOM 883 N SER A 58 -23.530 9.153 -30.691 1.00 0.00 N ATOM 884 CA SER A 58 -24.437 10.291 -30.599 1.00 0.00 C ATOM 885 C SER A 58 -25.684 9.929 -29.799 1.00 0.00 C ATOM 886 O SER A 58 -26.261 10.771 -29.111 1.00 0.00 O ATOM 887 CB SER A 58 -24.835 10.768 -31.997 1.00 0.00 C ATOM 888 OG SER A 58 -26.119 10.288 -32.353 1.00 0.00 O ATOM 0 H SER A 58 -23.687 8.553 -31.500 1.00 0.00 H new ATOM 0 HA SER A 58 -23.916 11.097 -30.082 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.829 11.858 -32.028 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.100 10.424 -32.725 1.00 0.00 H new ATOM 0 HG SER A 58 -26.351 10.608 -33.250 1.00 0.00 H new ATOM 894 N ARG A 59 -26.095 8.668 -29.894 1.00 0.00 N ATOM 895 CA ARG A 59 -27.274 8.193 -29.181 1.00 0.00 C ATOM 896 C ARG A 59 -27.153 8.468 -27.685 1.00 0.00 C ATOM 897 O ARG A 59 -26.050 8.635 -27.162 1.00 0.00 O ATOM 898 CB ARG A 59 -27.471 6.695 -29.420 1.00 0.00 C ATOM 899 CG ARG A 59 -28.668 6.371 -30.300 1.00 0.00 C ATOM 900 CD ARG A 59 -28.266 6.242 -31.761 1.00 0.00 C ATOM 901 NE ARG A 59 -29.199 5.408 -32.514 1.00 0.00 N ATOM 902 CZ ARG A 59 -30.430 5.789 -32.836 1.00 0.00 C ATOM 903 NH1 ARG A 59 -30.873 6.985 -32.474 1.00 0.00 N ATOM 904 NH2 ARG A 59 -31.220 4.973 -33.523 1.00 0.00 N ATOM 0 H ARG A 59 -25.628 7.958 -30.458 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.140 8.733 -29.563 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.571 6.288 -29.881 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.591 6.195 -28.459 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.127 5.441 -29.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.420 7.153 -30.196 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -28.220 7.233 -32.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.265 5.815 -31.825 1.00 0.00 H new ATOM 0 HE ARG A 59 -28.888 4.482 -32.809 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.268 7.615 -31.947 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -31.819 7.275 -32.723 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -30.882 4.053 -33.804 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -32.165 5.266 -33.770 1.00 0.00 H new ATOM 918 N ILE A 60 -28.292 8.514 -27.003 1.00 0.00 N ATOM 919 CA ILE A 60 -28.313 8.769 -25.568 1.00 0.00 C ATOM 920 C ILE A 60 -28.448 7.470 -24.781 1.00 0.00 C ATOM 921 O ILE A 60 -27.790 7.279 -23.759 1.00 0.00 O ATOM 922 CB ILE A 60 -29.466 9.713 -25.180 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.374 11.018 -25.973 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.442 9.992 -23.685 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.109 11.801 -25.704 1.00 0.00 C ATOM 0 H ILE A 60 -29.212 8.378 -27.421 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.365 9.246 -25.319 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.411 9.228 -25.424 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.432 10.791 -27.038 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.235 11.641 -25.733 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.263 10.661 -23.426 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.551 9.055 -23.138 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.495 10.460 -23.417 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.112 12.714 -26.300 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.059 12.059 -24.646 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.243 11.196 -25.972 1.00 0.00 H new ATOM 937 N GLY A 61 -29.305 6.576 -25.266 1.00 0.00 N ATOM 938 CA GLY A 61 -29.510 5.305 -24.597 1.00 0.00 C ATOM 939 C GLY A 61 -28.260 4.447 -24.587 1.00 0.00 C ATOM 940 O GLY A 61 -28.127 3.540 -23.765 1.00 0.00 O ATOM 0 H GLY A 61 -29.861 6.710 -26.111 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.831 5.485 -23.571 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.315 4.763 -25.093 1.00 0.00 H new ATOM 944 N HIS A 62 -27.340 4.733 -25.503 1.00 0.00 N ATOM 945 CA HIS A 62 -26.095 3.980 -25.598 1.00 0.00 C ATOM 946 C HIS A 62 -25.022 4.591 -24.701 1.00 0.00 C ATOM 947 O HIS A 62 -24.304 3.876 -24.003 1.00 0.00 O ATOM 948 CB HIS A 62 -25.605 3.942 -27.046 1.00 0.00 C ATOM 949 CG HIS A 62 -26.590 3.330 -27.995 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.685 3.697 -29.320 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.524 2.370 -27.804 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.636 2.990 -29.903 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.161 2.177 -29.005 1.00 0.00 N ATOM 0 H HIS A 62 -27.434 5.481 -26.190 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.289 2.961 -25.262 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.381 4.958 -27.372 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.672 3.380 -27.091 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.730 1.852 -26.879 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.934 3.064 -30.939 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -28.917 1.514 -29.176 1.00 0.00 H new ATOM 961 N GLN A 63 -24.919 5.915 -24.728 1.00 0.00 N ATOM 962 CA GLN A 63 -23.932 6.621 -23.919 1.00 0.00 C ATOM 963 C GLN A 63 -24.061 6.240 -22.448 1.00 0.00 C ATOM 964 O GLN A 63 -23.063 6.129 -21.736 1.00 0.00 O ATOM 965 CB GLN A 63 -24.094 8.133 -24.083 1.00 0.00 C ATOM 966 CG GLN A 63 -23.615 8.654 -25.428 1.00 0.00 C ATOM 967 CD GLN A 63 -24.059 10.079 -25.693 1.00 0.00 C ATOM 968 OE1 GLN A 63 -25.200 10.449 -25.414 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.157 10.890 -26.235 1.00 0.00 N ATOM 0 H GLN A 63 -25.506 6.521 -25.301 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.940 6.330 -24.265 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.145 8.393 -23.955 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.542 8.637 -23.290 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.527 8.603 -25.466 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.992 8.007 -26.220 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.223 10.542 -26.450 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.399 11.860 -26.436 1.00 0.00 H new ATOM 978 N GLU A 64 -25.297 6.041 -22.000 1.00 0.00 N ATOM 979 CA GLU A 64 -25.555 5.674 -20.612 1.00 0.00 C ATOM 980 C GLU A 64 -25.328 4.181 -20.393 1.00 0.00 C ATOM 981 O GLU A 64 -24.969 3.751 -19.296 1.00 0.00 O ATOM 982 CB GLU A 64 -26.987 6.046 -20.222 1.00 0.00 C ATOM 983 CG GLU A 64 -27.170 7.522 -19.910 1.00 0.00 C ATOM 984 CD GLU A 64 -27.945 7.756 -18.628 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.963 7.065 -18.415 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.533 8.630 -17.837 1.00 0.00 O ATOM 0 H GLU A 64 -26.134 6.128 -22.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.859 6.226 -19.981 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.659 5.769 -21.034 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.281 5.460 -19.351 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.192 7.997 -19.831 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.691 8.003 -20.738 1.00 0.00 H new ATOM 993 N LEU A 65 -25.540 3.396 -21.444 1.00 0.00 N ATOM 994 CA LEU A 65 -25.359 1.951 -21.367 1.00 0.00 C ATOM 995 C LEU A 65 -23.943 1.602 -20.923 1.00 0.00 C ATOM 996 O LEU A 65 -23.744 0.726 -20.080 1.00 0.00 O ATOM 997 CB LEU A 65 -25.654 1.308 -22.724 1.00 0.00 C ATOM 998 CG LEU A 65 -26.981 0.558 -22.838 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.215 0.100 -24.269 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.007 -0.629 -21.885 1.00 0.00 C ATOM 0 H LEU A 65 -25.837 3.736 -22.359 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.058 1.561 -20.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.634 2.088 -23.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.846 0.614 -22.958 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.786 1.239 -22.560 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.164 -0.432 -24.330 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.242 0.967 -24.929 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.407 -0.564 -24.575 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.959 -1.151 -21.980 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.193 -1.311 -22.131 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.887 -0.276 -20.861 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.962 2.293 -21.494 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.564 2.059 -21.154 1.00 0.00 C ATOM 1014 C ILE A 66 -21.232 2.621 -19.776 1.00 0.00 C ATOM 1015 O ILE A 66 -20.726 1.908 -18.908 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.619 2.688 -22.194 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.992 2.221 -23.602 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.173 2.333 -21.878 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.229 2.934 -24.697 1.00 0.00 C ATOM 0 H ILE A 66 -23.110 3.020 -22.194 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.417 0.979 -21.148 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.725 3.772 -22.151 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.809 1.149 -23.681 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.060 2.374 -23.756 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.517 2.785 -22.622 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.914 2.710 -20.889 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.052 1.250 -21.897 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.544 2.552 -25.668 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.431 4.004 -24.644 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.161 2.760 -24.569 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.521 3.902 -19.580 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.255 4.561 -18.306 1.00 0.00 C ATOM 1033 C LEU A 67 -21.855 3.770 -17.148 1.00 0.00 C ATOM 1034 O LEU A 67 -21.176 3.481 -16.164 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.821 5.982 -18.316 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.307 6.902 -19.424 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.267 8.061 -19.644 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -19.916 7.417 -19.086 1.00 0.00 C ATOM 0 H LEU A 67 -21.940 4.506 -20.287 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.175 4.608 -18.168 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.906 5.919 -18.398 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.601 6.446 -17.355 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.246 6.327 -20.348 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.885 8.705 -20.436 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.245 7.674 -19.931 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.361 8.636 -18.723 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.566 8.070 -19.885 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.952 7.975 -18.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.232 6.575 -18.980 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.132 3.422 -17.275 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.823 2.663 -16.239 1.00 0.00 C ATOM 1052 C GLU A 68 -23.037 1.408 -15.869 1.00 0.00 C ATOM 1053 O GLU A 68 -23.096 0.939 -14.733 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.227 2.278 -16.709 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.110 1.728 -15.601 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.567 2.109 -15.773 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -28.288 1.385 -16.491 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.987 3.131 -15.191 1.00 0.00 O ATOM 0 H GLU A 68 -23.708 3.653 -18.084 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.904 3.295 -15.354 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.708 3.154 -17.145 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.145 1.533 -17.500 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.023 0.642 -15.577 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.753 2.097 -14.640 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.301 0.871 -16.836 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.502 -0.328 -16.612 1.00 0.00 C ATOM 1067 C ALA A 69 -20.175 0.014 -15.945 1.00 0.00 C ATOM 1068 O ALA A 69 -19.652 -0.763 -15.145 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.262 -1.055 -17.927 1.00 0.00 C ATOM 0 H ALA A 69 -22.241 1.247 -17.782 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.057 -0.985 -15.942 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.664 -1.948 -17.745 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.219 -1.341 -18.364 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.731 -0.397 -18.615 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.633 1.181 -16.279 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.366 1.626 -15.711 1.00 0.00 C ATOM 1077 C VAL A 70 -18.480 1.832 -14.205 1.00 0.00 C ATOM 1078 O VAL A 70 -17.531 1.589 -13.460 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.888 2.937 -16.363 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.581 3.400 -15.737 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.735 2.759 -17.866 1.00 0.00 C ATOM 0 H VAL A 70 -20.052 1.835 -16.940 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.637 0.842 -15.913 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.640 3.706 -16.186 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.259 4.327 -16.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.728 3.569 -14.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.818 2.635 -15.881 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.397 3.695 -18.311 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.003 1.976 -18.067 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.695 2.478 -18.299 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.650 2.282 -13.763 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.890 2.520 -12.344 1.00 0.00 C ATOM 1093 C ASP A 71 -19.610 1.263 -11.527 1.00 0.00 C ATOM 1094 O ASP A 71 -19.283 1.340 -10.342 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.332 2.979 -12.119 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.447 4.004 -11.008 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.920 5.124 -11.178 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.062 3.687 -9.969 1.00 0.00 O ATOM 0 H ASP A 71 -20.446 2.489 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.211 3.305 -12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.723 3.404 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.952 2.115 -11.878 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.742 0.106 -12.167 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.504 -1.169 -11.499 1.00 0.00 C ATOM 1105 C LEU A 72 -18.018 -1.513 -11.495 1.00 0.00 C ATOM 1106 O LEU A 72 -17.509 -2.102 -10.541 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.296 -2.282 -12.187 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.791 -2.336 -11.872 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.563 -2.920 -13.045 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.041 -3.149 -10.610 1.00 0.00 C ATOM 0 H LEU A 72 -20.012 0.025 -13.147 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.839 -1.078 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.176 -2.173 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.853 -3.239 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.144 -1.319 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.625 -2.951 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.410 -2.298 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.208 -3.930 -13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.110 -3.177 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.673 -4.165 -10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.519 -2.688 -9.771 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.327 -1.140 -12.567 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.898 -1.407 -12.687 1.00 0.00 C ATOM 1124 C LEU A 73 -15.142 -0.880 -11.471 1.00 0.00 C ATOM 1125 O LEU A 73 -14.415 -1.623 -10.810 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.345 -0.768 -13.962 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.257 -1.680 -15.186 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.920 -0.873 -16.430 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.223 -2.774 -14.962 1.00 0.00 C ATOM 0 H LEU A 73 -17.733 -0.652 -13.365 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.758 -2.487 -12.739 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.970 0.088 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.348 -0.383 -13.748 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.229 -2.150 -15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.862 -1.539 -17.291 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.696 -0.127 -16.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.961 -0.374 -16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.174 -3.414 -15.843 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.247 -2.322 -14.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.507 -3.371 -14.095 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.320 0.404 -11.181 1.00 0.00 N ATOM 1142 CA CYS A 74 -14.656 1.030 -10.043 1.00 0.00 C ATOM 1143 C CYS A 74 -15.151 0.434 -8.729 1.00 0.00 C ATOM 1144 O CYS A 74 -14.404 0.347 -7.755 1.00 0.00 O ATOM 1145 CB CYS A 74 -14.894 2.540 -10.055 1.00 0.00 C ATOM 1146 SG CYS A 74 -13.392 3.526 -9.852 1.00 0.00 S ATOM 0 H CYS A 74 -15.918 1.032 -11.718 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.586 0.838 -10.127 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.371 2.814 -10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -15.592 2.793 -9.257 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.696 4.790 -9.878 1.00 0.00 H new ATOM 1152 N ALA A 75 -16.416 0.028 -8.709 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.011 -0.559 -7.515 1.00 0.00 C ATOM 1154 C ALA A 75 -16.369 -1.902 -7.185 1.00 0.00 C ATOM 1155 O ALA A 75 -16.206 -2.253 -6.016 1.00 0.00 O ATOM 1156 CB ALA A 75 -18.513 -0.721 -7.699 1.00 0.00 C ATOM 0 H ALA A 75 -17.049 0.095 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.829 0.116 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.944 -1.161 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.965 0.254 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.707 -1.373 -8.551 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.008 -2.650 -8.222 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.383 -3.956 -8.042 1.00 0.00 C ATOM 1164 C LEU A 76 -14.037 -3.824 -7.338 1.00 0.00 C ATOM 1165 O LEU A 76 -13.748 -4.550 -6.388 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.199 -4.646 -9.395 1.00 0.00 C ATOM 1167 CG LEU A 76 -16.288 -5.642 -9.795 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -16.009 -6.212 -11.177 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -16.393 -6.758 -8.767 1.00 0.00 C ATOM 0 H LEU A 76 -16.137 -2.375 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.040 -4.562 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.136 -3.878 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.242 -5.168 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.241 -5.115 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -16.795 -6.919 -11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.985 -5.402 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -15.047 -6.724 -11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -17.173 -7.458 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.440 -7.283 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.641 -6.334 -7.794 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.217 -2.890 -7.810 1.00 0.00 N ATOM 1182 CA ASN A 77 -11.902 -2.661 -7.225 1.00 0.00 C ATOM 1183 C ASN A 77 -12.006 -2.449 -5.717 1.00 0.00 C ATOM 1184 O ASN A 77 -11.449 -3.217 -4.932 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.235 -1.447 -7.876 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.180 -1.843 -8.891 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -8.994 -1.924 -8.570 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -10.608 -2.091 -10.123 1.00 0.00 N ATOM 0 H ASN A 77 -13.441 -2.280 -8.596 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.292 -3.545 -7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.995 -0.837 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.778 -0.829 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.944 -2.361 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.601 -2.011 -10.344 1.00 0.00 H new ATOM 1195 N SER A 78 -12.724 -1.404 -5.320 1.00 0.00 N ATOM 1196 CA SER A 78 -12.900 -1.089 -3.907 1.00 0.00 C ATOM 1197 C SER A 78 -14.169 -1.736 -3.360 1.00 0.00 C ATOM 1198 O SER A 78 -15.078 -1.050 -2.896 1.00 0.00 O ATOM 1199 CB SER A 78 -12.958 0.426 -3.704 1.00 0.00 C ATOM 1200 OG SER A 78 -11.908 1.075 -4.401 1.00 0.00 O ATOM 0 H SER A 78 -13.194 -0.761 -5.957 1.00 0.00 H new ATOM 0 HA SER A 78 -12.045 -1.489 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.919 0.806 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.890 0.656 -2.641 1.00 0.00 H new ATOM 0 HG SER A 78 -11.968 2.042 -4.256 1.00 0.00 H new ATOM 1206 N GLY A 79 -14.222 -3.063 -3.419 1.00 0.00 N ATOM 1207 CA GLY A 79 -15.383 -3.782 -2.927 1.00 0.00 C ATOM 1208 C GLY A 79 -15.247 -4.173 -1.469 1.00 0.00 C ATOM 1209 O GLY A 79 -14.185 -4.032 -0.862 1.00 0.00 O ATOM 0 H GLY A 79 -13.482 -3.653 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.271 -3.162 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.533 -4.679 -3.528 1.00 0.00 H new ATOM 1213 N PRO A 80 -16.344 -4.677 -0.883 1.00 0.00 N ATOM 1214 CA PRO A 80 -16.368 -5.099 0.520 1.00 0.00 C ATOM 1215 C PRO A 80 -15.542 -6.358 0.762 1.00 0.00 C ATOM 1216 O PRO A 80 -15.034 -6.578 1.861 1.00 0.00 O ATOM 1217 CB PRO A 80 -17.851 -5.375 0.782 1.00 0.00 C ATOM 1218 CG PRO A 80 -18.418 -5.700 -0.556 1.00 0.00 C ATOM 1219 CD PRO A 80 -17.644 -4.874 -1.546 1.00 0.00 C ATOM 0 HA PRO A 80 -15.937 -4.345 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.982 -6.202 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.344 -4.507 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -18.319 -6.763 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.481 -5.463 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -17.534 -5.389 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.139 -3.925 -1.751 1.00 0.00 H new ATOM 1227 N SER A 81 -15.410 -7.181 -0.274 1.00 0.00 N ATOM 1228 CA SER A 81 -14.648 -8.420 -0.173 1.00 0.00 C ATOM 1229 C SER A 81 -15.126 -9.258 1.009 1.00 0.00 C ATOM 1230 O SER A 81 -14.323 -9.851 1.730 1.00 0.00 O ATOM 1231 CB SER A 81 -13.156 -8.115 -0.026 1.00 0.00 C ATOM 1232 OG SER A 81 -12.394 -9.309 0.028 1.00 0.00 O ATOM 0 H SER A 81 -15.821 -7.012 -1.192 1.00 0.00 H new ATOM 0 HA SER A 81 -14.807 -8.991 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.822 -7.504 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.988 -7.532 0.879 1.00 0.00 H new ATOM 0 HG SER A 81 -12.753 -9.895 0.727 1.00 0.00 H new ATOM 1238 N SER A 82 -16.440 -9.301 1.202 1.00 0.00 N ATOM 1239 CA SER A 82 -17.027 -10.062 2.299 1.00 0.00 C ATOM 1240 C SER A 82 -18.287 -10.791 1.842 1.00 0.00 C ATOM 1241 O SER A 82 -19.404 -10.343 2.097 1.00 0.00 O ATOM 1242 CB SER A 82 -17.357 -9.137 3.471 1.00 0.00 C ATOM 1243 OG SER A 82 -18.022 -7.967 3.026 1.00 0.00 O ATOM 0 H SER A 82 -17.119 -8.818 0.613 1.00 0.00 H new ATOM 0 HA SER A 82 -16.297 -10.803 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.984 -9.665 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.439 -8.862 3.991 1.00 0.00 H new ATOM 0 HG SER A 82 -18.808 -8.218 2.497 1.00 0.00 H new ATOM 1249 N GLY A 83 -18.098 -11.918 1.163 1.00 0.00 N ATOM 1250 CA GLY A 83 -19.227 -12.692 0.680 1.00 0.00 C ATOM 1251 C GLY A 83 -18.813 -14.044 0.134 1.00 0.00 C ATOM 1252 O GLY A 83 -19.448 -15.058 0.423 1.00 0.00 O ATOM 0 H GLY A 83 -17.183 -12.309 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.940 -12.835 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.741 -12.131 -0.100 1.00 0.00 H new TER 1256 GLY A 83