USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 18 ASN : amide:sc= 0.093 X(o=0.17,f=0.21) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0.0814 USER MOD Set 2.1: A 25 SER OG : rot -90:sc= 1.15 USER MOD Set 2.2: A 30 SER OG : rot -11:sc= 0.756 USER MOD Single : A 7 ASN : amide:sc= -0.147 K(o=-0.15,f=1.1) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 0.203 (180deg=0.029) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 140:sc= -0.872 (180deg=-4.44!) USER MOD Single : A 14 ASN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0763) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.79 K(o=-0.79,f=-0.062) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.18) USER MOD Single : A 50 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.377 K(o=-0.38,f=0.19) USER MOD Single : A 61 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.5!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.121 USER MOD Single : A 66 HIS : no HD1:sc= -0.591 K(o=-0.59,f=0.053) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 -11.729 12.369 -5.166 1.00 0.00 N ATOM 38 CA PRO A 3 -11.071 12.816 -3.911 1.00 0.00 C ATOM 39 C PRO A 3 -9.598 13.160 -4.156 1.00 0.00 C ATOM 40 O PRO A 3 -9.001 12.760 -5.142 1.00 0.00 O ATOM 41 CB PRO A 3 -11.203 11.641 -2.946 1.00 0.00 C ATOM 42 CG PRO A 3 -11.397 10.391 -3.812 1.00 0.00 C ATOM 43 CD PRO A 3 -11.831 10.877 -5.205 1.00 0.00 C ATOM 0 HA PRO A 3 -11.532 13.720 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.313 11.548 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.049 11.783 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.473 9.817 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.152 9.735 -3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.189 10.461 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.849 10.560 -5.430 1.00 0.00 H new ATOM 51 N ALA A 4 -9.019 13.918 -3.263 1.00 0.00 N ATOM 52 CA ALA A 4 -7.595 14.329 -3.414 1.00 0.00 C ATOM 53 C ALA A 4 -6.672 13.108 -3.424 1.00 0.00 C ATOM 54 O ALA A 4 -5.630 13.129 -4.051 1.00 0.00 O ATOM 55 CB ALA A 4 -7.210 15.244 -2.249 1.00 0.00 C ATOM 0 H ALA A 4 -9.479 14.274 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.483 14.856 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.169 15.548 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.848 16.128 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.339 14.709 -1.308 1.00 0.00 H new ATOM 61 N PHE A 5 -7.027 12.051 -2.731 1.00 0.00 N ATOM 62 CA PHE A 5 -6.136 10.852 -2.711 1.00 0.00 C ATOM 63 C PHE A 5 -6.108 10.195 -4.091 1.00 0.00 C ATOM 64 O PHE A 5 -5.054 9.853 -4.589 1.00 0.00 O ATOM 65 CB PHE A 5 -6.612 9.830 -1.678 1.00 0.00 C ATOM 66 CG PHE A 5 -5.536 8.782 -1.522 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.391 9.060 -0.765 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.672 7.540 -2.153 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.385 8.094 -0.636 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.665 6.576 -2.027 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.522 6.853 -1.269 1.00 0.00 C ATOM 0 H PHE A 5 -7.885 11.969 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.134 11.185 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.809 10.318 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.546 9.371 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.284 10.019 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.554 7.325 -2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.504 8.306 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.770 5.618 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.745 6.109 -1.172 1.00 0.00 H new ATOM 81 N VAL A 6 -7.249 10.010 -4.711 1.00 0.00 N ATOM 82 CA VAL A 6 -7.266 9.370 -6.062 1.00 0.00 C ATOM 83 C VAL A 6 -6.515 10.263 -7.053 1.00 0.00 C ATOM 84 O VAL A 6 -5.956 9.784 -8.021 1.00 0.00 O ATOM 85 CB VAL A 6 -8.713 9.170 -6.529 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.724 8.478 -7.897 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.456 8.294 -5.519 1.00 0.00 C ATOM 0 H VAL A 6 -8.163 10.273 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.778 8.397 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.202 10.141 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.754 8.338 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.193 9.096 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.233 7.508 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.485 8.151 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.961 7.326 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.452 8.780 -4.544 1.00 0.00 H new ATOM 97 N ASN A 7 -6.497 11.552 -6.820 1.00 0.00 N ATOM 98 CA ASN A 7 -5.774 12.469 -7.753 1.00 0.00 C ATOM 99 C ASN A 7 -4.263 12.246 -7.615 1.00 0.00 C ATOM 100 O ASN A 7 -3.549 12.172 -8.596 1.00 0.00 O ATOM 101 CB ASN A 7 -6.113 13.923 -7.418 1.00 0.00 C ATOM 102 CG ASN A 7 -7.479 14.275 -8.009 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.482 14.231 -7.322 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.564 14.623 -9.264 1.00 0.00 N ATOM 0 H ASN A 7 -6.950 12.007 -6.027 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.081 12.259 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.124 14.066 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.348 14.588 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.471 14.858 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.724 14.660 -9.841 1.00 0.00 H new ATOM 111 N LYS A 8 -3.779 12.129 -6.404 1.00 0.00 N ATOM 112 CA LYS A 8 -2.316 11.900 -6.192 1.00 0.00 C ATOM 113 C LYS A 8 -1.944 10.498 -6.684 1.00 0.00 C ATOM 114 O LYS A 8 -0.812 10.233 -7.041 1.00 0.00 O ATOM 115 CB LYS A 8 -1.990 12.005 -4.697 1.00 0.00 C ATOM 116 CG LYS A 8 -2.491 13.342 -4.143 1.00 0.00 C ATOM 117 CD LYS A 8 -2.860 13.177 -2.665 1.00 0.00 C ATOM 118 CE LYS A 8 -3.023 14.557 -2.019 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.793 14.893 -1.249 1.00 0.00 N ATOM 0 H LYS A 8 -4.335 12.182 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.751 12.650 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.455 11.181 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.914 11.919 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.721 14.105 -4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.358 13.680 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.786 12.609 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.086 12.611 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.202 15.311 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.891 14.561 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.032 15.559 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.393 14.025 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.094 15.330 -1.884 1.00 0.00 H new ATOM 133 N LEU A 9 -2.894 9.598 -6.693 1.00 0.00 N ATOM 134 CA LEU A 9 -2.626 8.207 -7.146 1.00 0.00 C ATOM 135 C LEU A 9 -2.607 8.158 -8.677 1.00 0.00 C ATOM 136 O LEU A 9 -1.928 7.343 -9.271 1.00 0.00 O ATOM 137 CB LEU A 9 -3.742 7.304 -6.612 1.00 0.00 C ATOM 138 CG LEU A 9 -3.378 5.832 -6.829 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.210 5.441 -5.909 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.603 4.953 -6.523 1.00 0.00 C ATOM 0 H LEU A 9 -3.855 9.774 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.659 7.869 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.898 7.495 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.680 7.533 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.075 5.683 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.956 4.393 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.344 6.063 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.500 5.590 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.346 3.905 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.909 5.103 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.423 5.227 -7.187 1.00 0.00 H new ATOM 152 N TRP A 10 -3.347 9.025 -9.319 1.00 0.00 N ATOM 153 CA TRP A 10 -3.382 9.032 -10.808 1.00 0.00 C ATOM 154 C TRP A 10 -2.023 9.476 -11.372 1.00 0.00 C ATOM 155 O TRP A 10 -1.768 9.336 -12.553 1.00 0.00 O ATOM 156 CB TRP A 10 -4.465 10.007 -11.272 1.00 0.00 C ATOM 157 CG TRP A 10 -5.744 9.275 -11.541 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.725 9.737 -12.343 1.00 0.00 C ATOM 159 CD2 TRP A 10 -6.204 7.982 -11.033 1.00 0.00 C ATOM 160 NE1 TRP A 10 -7.756 8.817 -12.369 1.00 0.00 N ATOM 161 CE2 TRP A 10 -7.484 7.720 -11.579 1.00 0.00 C ATOM 162 CE3 TRP A 10 -5.647 7.021 -10.167 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -8.184 6.552 -11.278 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -6.351 5.845 -9.861 1.00 0.00 C ATOM 165 CH2 TRP A 10 -7.616 5.611 -10.416 1.00 0.00 C ATOM 0 H TRP A 10 -3.931 9.731 -8.871 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.600 8.026 -11.167 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.628 10.769 -10.510 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.137 10.523 -12.174 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.708 10.675 -12.879 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.614 8.935 -12.907 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.672 7.190 -9.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -9.159 6.376 -11.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.915 5.116 -9.194 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -8.151 4.704 -10.178 1.00 0.00 H new ATOM 176 N SER A 11 -1.155 10.019 -10.549 1.00 0.00 N ATOM 177 CA SER A 11 0.171 10.479 -11.060 1.00 0.00 C ATOM 178 C SER A 11 1.286 9.560 -10.550 1.00 0.00 C ATOM 179 O SER A 11 2.131 9.123 -11.309 1.00 0.00 O ATOM 180 CB SER A 11 0.433 11.905 -10.573 1.00 0.00 C ATOM 181 OG SER A 11 1.450 12.493 -11.373 1.00 0.00 O ATOM 0 H SER A 11 -1.309 10.162 -9.551 1.00 0.00 H new ATOM 0 HA SER A 11 0.159 10.452 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.481 12.496 -10.633 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.738 11.894 -9.526 1.00 0.00 H new ATOM 0 HG SER A 11 1.620 13.408 -11.066 1.00 0.00 H new ATOM 187 N MET A 12 1.309 9.282 -9.271 1.00 0.00 N ATOM 188 CA MET A 12 2.385 8.413 -8.710 1.00 0.00 C ATOM 189 C MET A 12 2.340 7.018 -9.346 1.00 0.00 C ATOM 190 O MET A 12 3.368 6.394 -9.536 1.00 0.00 O ATOM 191 CB MET A 12 2.222 8.304 -7.190 1.00 0.00 C ATOM 192 CG MET A 12 0.868 7.670 -6.842 1.00 0.00 C ATOM 193 SD MET A 12 1.089 5.914 -6.454 1.00 0.00 S ATOM 194 CE MET A 12 2.221 6.128 -5.058 1.00 0.00 C ATOM 0 H MET A 12 0.628 9.620 -8.591 1.00 0.00 H new ATOM 0 HA MET A 12 3.352 8.863 -8.937 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.030 7.703 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.295 9.293 -6.738 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.423 8.186 -5.991 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.179 7.782 -7.679 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.968 5.417 -4.272 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.245 5.953 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.133 7.143 -4.671 1.00 0.00 H new ATOM 204 N VAL A 13 1.170 6.520 -9.676 1.00 0.00 N ATOM 205 CA VAL A 13 1.092 5.161 -10.296 1.00 0.00 C ATOM 206 C VAL A 13 1.672 5.216 -11.710 1.00 0.00 C ATOM 207 O VAL A 13 2.280 4.268 -12.169 1.00 0.00 O ATOM 208 CB VAL A 13 -0.356 4.678 -10.343 1.00 0.00 C ATOM 209 CG1 VAL A 13 -0.399 3.245 -10.873 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.937 4.695 -8.933 1.00 0.00 C ATOM 0 H VAL A 13 0.275 6.992 -9.544 1.00 0.00 H new ATOM 0 HA VAL A 13 1.669 4.460 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.934 5.332 -10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.433 2.900 -10.906 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.026 3.215 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.179 2.596 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.971 4.351 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.353 4.036 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.903 5.710 -8.538 1.00 0.00 H new ATOM 220 N ASN A 14 1.515 6.326 -12.400 1.00 0.00 N ATOM 221 CA ASN A 14 2.093 6.440 -13.780 1.00 0.00 C ATOM 222 C ASN A 14 3.598 6.156 -13.691 1.00 0.00 C ATOM 223 O ASN A 14 4.193 5.577 -14.579 1.00 0.00 O ATOM 224 CB ASN A 14 1.852 7.853 -14.327 1.00 0.00 C ATOM 225 CG ASN A 14 1.364 7.766 -15.775 1.00 0.00 C ATOM 226 OD1 ASN A 14 2.056 8.171 -16.688 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.192 7.249 -16.023 1.00 0.00 N ATOM 0 H ASN A 14 1.015 7.151 -12.069 1.00 0.00 H new ATOM 0 HA ASN A 14 1.618 5.726 -14.452 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.114 8.370 -13.714 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.772 8.435 -14.277 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.144 7.185 -16.984 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.388 6.909 -15.256 1.00 0.00 H new ATOM 234 N ASP A 15 4.194 6.528 -12.586 1.00 0.00 N ATOM 235 CA ASP A 15 5.639 6.256 -12.367 1.00 0.00 C ATOM 236 C ASP A 15 6.500 6.876 -13.469 1.00 0.00 C ATOM 237 O ASP A 15 7.453 6.273 -13.925 1.00 0.00 O ATOM 238 CB ASP A 15 5.853 4.744 -12.331 1.00 0.00 C ATOM 239 CG ASP A 15 5.040 4.149 -11.184 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.101 4.701 -10.098 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.369 3.155 -11.408 1.00 0.00 O ATOM 0 H ASP A 15 3.730 7.015 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 15 5.941 6.706 -11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.548 4.299 -13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.911 4.517 -12.199 1.00 0.00 H new ATOM 246 N LYS A 16 6.204 8.086 -13.876 1.00 0.00 N ATOM 247 CA LYS A 16 7.049 8.745 -14.919 1.00 0.00 C ATOM 248 C LYS A 16 8.452 8.941 -14.335 1.00 0.00 C ATOM 249 O LYS A 16 9.447 8.868 -15.030 1.00 0.00 O ATOM 250 CB LYS A 16 6.445 10.102 -15.299 1.00 0.00 C ATOM 251 CG LYS A 16 7.066 10.594 -16.608 1.00 0.00 C ATOM 252 CD LYS A 16 6.103 11.559 -17.304 1.00 0.00 C ATOM 253 CE LYS A 16 6.848 12.322 -18.400 1.00 0.00 C ATOM 254 NZ LYS A 16 7.249 11.375 -19.479 1.00 0.00 N ATOM 0 H LYS A 16 5.420 8.642 -13.534 1.00 0.00 H new ATOM 0 HA LYS A 16 7.096 8.127 -15.816 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.364 10.012 -15.409 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.625 10.826 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.014 11.093 -16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.283 9.748 -17.260 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.267 11.008 -17.734 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.685 12.258 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.212 13.107 -18.808 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.729 12.810 -17.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.586 11.911 -20.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.010 10.757 -19.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.430 10.795 -19.754 1.00 0.00 H new ATOM 268 N SER A 17 8.528 9.161 -13.044 1.00 0.00 N ATOM 269 CA SER A 17 9.845 9.334 -12.371 1.00 0.00 C ATOM 270 C SER A 17 10.130 8.084 -11.526 1.00 0.00 C ATOM 271 O SER A 17 11.268 7.713 -11.313 1.00 0.00 O ATOM 272 CB SER A 17 9.796 10.566 -11.466 1.00 0.00 C ATOM 273 OG SER A 17 11.027 10.689 -10.768 1.00 0.00 O ATOM 0 H SER A 17 7.721 9.228 -12.424 1.00 0.00 H new ATOM 0 HA SER A 17 10.632 9.468 -13.114 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.612 11.461 -12.061 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.971 10.478 -10.758 1.00 0.00 H new ATOM 0 HG SER A 17 10.997 11.479 -10.189 1.00 0.00 H new ATOM 279 N ASN A 18 9.094 7.429 -11.053 1.00 0.00 N ATOM 280 CA ASN A 18 9.280 6.193 -10.229 1.00 0.00 C ATOM 281 C ASN A 18 9.090 4.964 -11.129 1.00 0.00 C ATOM 282 O ASN A 18 8.669 3.916 -10.677 1.00 0.00 O ATOM 283 CB ASN A 18 8.234 6.147 -9.101 1.00 0.00 C ATOM 284 CG ASN A 18 8.066 7.533 -8.465 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.030 8.147 -8.052 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.870 8.053 -8.371 1.00 0.00 N ATOM 0 H ASN A 18 8.123 7.701 -11.204 1.00 0.00 H new ATOM 0 HA ASN A 18 10.279 6.198 -9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.278 5.804 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.541 5.427 -8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.746 8.974 -7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.061 7.537 -8.718 1.00 0.00 H new ATOM 293 N GLU A 19 9.382 5.090 -12.403 1.00 0.00 N ATOM 294 CA GLU A 19 9.207 3.939 -13.346 1.00 0.00 C ATOM 295 C GLU A 19 10.040 2.732 -12.885 1.00 0.00 C ATOM 296 O GLU A 19 9.792 1.614 -13.298 1.00 0.00 O ATOM 297 CB GLU A 19 9.642 4.371 -14.756 1.00 0.00 C ATOM 298 CG GLU A 19 9.424 3.225 -15.758 1.00 0.00 C ATOM 299 CD GLU A 19 10.757 2.823 -16.397 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.694 2.572 -15.657 1.00 0.00 O ATOM 301 OE2 GLU A 19 10.818 2.775 -17.615 1.00 0.00 O ATOM 0 H GLU A 19 9.736 5.945 -12.832 1.00 0.00 H new ATOM 0 HA GLU A 19 8.158 3.645 -13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.073 5.247 -15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.693 4.660 -14.747 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.982 2.367 -15.251 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.721 3.536 -16.531 1.00 0.00 H new ATOM 308 N LYS A 20 11.023 2.942 -12.043 1.00 0.00 N ATOM 309 CA LYS A 20 11.864 1.802 -11.571 1.00 0.00 C ATOM 310 C LYS A 20 11.343 1.277 -10.228 1.00 0.00 C ATOM 311 O LYS A 20 12.102 0.785 -9.415 1.00 0.00 O ATOM 312 CB LYS A 20 13.307 2.279 -11.398 1.00 0.00 C ATOM 313 CG LYS A 20 14.267 1.139 -11.745 1.00 0.00 C ATOM 314 CD LYS A 20 14.592 1.176 -13.244 1.00 0.00 C ATOM 315 CE LYS A 20 13.783 0.103 -13.984 1.00 0.00 C ATOM 316 NZ LYS A 20 14.686 -1.014 -14.379 1.00 0.00 N ATOM 0 H LYS A 20 11.278 3.854 -11.663 1.00 0.00 H new ATOM 0 HA LYS A 20 11.820 1.000 -12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.497 3.137 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.472 2.608 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.183 1.232 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.819 0.181 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.362 2.161 -13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.658 1.009 -13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.983 -0.270 -13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.311 0.533 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.139 -1.742 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.434 -0.651 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.117 -1.430 -13.528 1.00 0.00 H new ATOM 330 N PHE A 21 10.058 1.372 -9.991 1.00 0.00 N ATOM 331 CA PHE A 21 9.493 0.871 -8.703 1.00 0.00 C ATOM 332 C PHE A 21 8.060 0.344 -8.951 1.00 0.00 C ATOM 333 O PHE A 21 7.886 -0.599 -9.700 1.00 0.00 O ATOM 334 CB PHE A 21 9.523 2.004 -7.666 1.00 0.00 C ATOM 335 CG PHE A 21 10.946 2.231 -7.223 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.616 1.244 -6.492 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.598 3.425 -7.550 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.940 1.453 -6.086 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.921 3.634 -7.144 1.00 0.00 C ATOM 340 CZ PHE A 21 13.592 2.647 -6.412 1.00 0.00 C ATOM 0 H PHE A 21 9.377 1.775 -10.635 1.00 0.00 H new ATOM 0 HA PHE A 21 10.088 0.046 -8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.113 2.918 -8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.899 1.747 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.113 0.322 -6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.080 4.185 -8.116 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.458 0.692 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.424 4.556 -7.395 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.613 2.807 -6.099 1.00 0.00 H new ATOM 350 N ILE A 22 7.033 0.923 -8.352 1.00 0.00 N ATOM 351 CA ILE A 22 5.647 0.419 -8.595 1.00 0.00 C ATOM 352 C ILE A 22 5.302 0.611 -10.077 1.00 0.00 C ATOM 353 O ILE A 22 5.957 1.359 -10.778 1.00 0.00 O ATOM 354 CB ILE A 22 4.656 1.193 -7.708 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.240 0.652 -7.925 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.684 2.684 -8.059 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.294 1.255 -6.885 1.00 0.00 C ATOM 0 H ILE A 22 7.102 1.715 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 22 5.583 -0.640 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 22 4.945 1.064 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.896 0.898 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.239 -0.435 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.979 3.220 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.688 3.077 -7.898 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.405 2.817 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.287 0.868 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.634 0.987 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.286 2.340 -6.986 1.00 0.00 H new ATOM 369 N HIS A 23 4.286 -0.061 -10.558 1.00 0.00 N ATOM 370 CA HIS A 23 3.906 0.084 -11.994 1.00 0.00 C ATOM 371 C HIS A 23 2.621 -0.700 -12.263 1.00 0.00 C ATOM 372 O HIS A 23 2.268 -1.603 -11.527 1.00 0.00 O ATOM 373 CB HIS A 23 5.040 -0.459 -12.877 1.00 0.00 C ATOM 374 CG HIS A 23 5.311 0.494 -14.012 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.097 0.147 -15.337 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.785 1.782 -14.033 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.439 1.207 -16.093 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.866 2.231 -15.349 1.00 0.00 N ATOM 0 H HIS A 23 3.705 -0.702 -10.018 1.00 0.00 H new ATOM 0 HA HIS A 23 3.740 1.136 -12.225 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.943 -0.594 -12.281 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.768 -1.438 -13.271 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.054 2.360 -13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.376 1.227 -17.171 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.183 3.144 -15.674 1.00 0.00 H new ATOM 386 N TRP A 24 1.919 -0.358 -13.313 1.00 0.00 N ATOM 387 CA TRP A 24 0.653 -1.075 -13.640 1.00 0.00 C ATOM 388 C TRP A 24 0.965 -2.528 -14.001 1.00 0.00 C ATOM 389 O TRP A 24 2.095 -2.880 -14.278 1.00 0.00 O ATOM 390 CB TRP A 24 -0.033 -0.384 -14.819 1.00 0.00 C ATOM 391 CG TRP A 24 -0.634 0.901 -14.347 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.023 2.107 -14.390 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.947 1.127 -13.759 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.878 3.058 -13.862 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.076 2.504 -13.463 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.028 0.279 -13.459 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.236 3.023 -12.887 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.198 0.799 -12.880 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.301 2.168 -12.595 1.00 0.00 C ATOM 0 H TRP A 24 2.170 0.390 -13.959 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.010 -1.056 -12.775 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.687 -0.193 -15.615 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -0.805 -1.030 -15.237 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.969 2.296 -14.773 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.650 4.049 -13.778 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -2.959 -0.777 -13.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.310 4.078 -12.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.023 0.140 -12.653 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.203 2.561 -12.150 1.00 0.00 H new ATOM 410 N SER A 25 -0.035 -3.371 -13.993 1.00 0.00 N ATOM 411 CA SER A 25 0.185 -4.810 -14.326 1.00 0.00 C ATOM 412 C SER A 25 0.241 -5.007 -15.848 1.00 0.00 C ATOM 413 O SER A 25 0.709 -6.022 -16.318 1.00 0.00 O ATOM 414 CB SER A 25 -0.964 -5.639 -13.753 1.00 0.00 C ATOM 415 OG SER A 25 -2.201 -5.045 -14.123 1.00 0.00 O ATOM 0 H SER A 25 -0.999 -3.123 -13.769 1.00 0.00 H new ATOM 0 HA SER A 25 1.133 -5.132 -13.894 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.912 -6.661 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.883 -5.692 -12.667 1.00 0.00 H new ATOM 0 HG SER A 25 -2.473 -4.401 -13.436 1.00 0.00 H new ATOM 468 N SER A 30 -4.822 -4.085 -12.498 1.00 0.00 N ATOM 469 CA SER A 30 -4.377 -4.097 -11.072 1.00 0.00 C ATOM 470 C SER A 30 -2.944 -3.566 -10.979 1.00 0.00 C ATOM 471 O SER A 30 -2.286 -3.352 -11.979 1.00 0.00 O ATOM 472 CB SER A 30 -4.431 -5.526 -10.529 1.00 0.00 C ATOM 473 OG SER A 30 -4.291 -6.447 -11.604 1.00 0.00 O ATOM 0 HA SER A 30 -5.038 -3.462 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.636 -5.679 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.376 -5.695 -10.012 1.00 0.00 H new ATOM 0 HG SER A 30 -4.365 -5.969 -12.456 1.00 0.00 H new ATOM 479 N ILE A 31 -2.461 -3.350 -9.780 1.00 0.00 N ATOM 480 CA ILE A 31 -1.071 -2.830 -9.610 1.00 0.00 C ATOM 481 C ILE A 31 -0.151 -3.969 -9.159 1.00 0.00 C ATOM 482 O ILE A 31 -0.582 -4.909 -8.517 1.00 0.00 O ATOM 483 CB ILE A 31 -1.071 -1.713 -8.561 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.050 -0.615 -8.995 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.335 -1.117 -8.439 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.410 0.261 -7.794 1.00 0.00 C ATOM 0 H ILE A 31 -2.971 -3.512 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.709 -2.433 -10.558 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.374 -2.121 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.603 -0.006 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.951 -1.063 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.330 -0.323 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.035 -1.896 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.641 -0.708 -9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.106 1.040 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.875 -0.353 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.506 0.721 -7.395 1.00 0.00 H new ATOM 498 N VAL A 32 1.110 -3.889 -9.496 1.00 0.00 N ATOM 499 CA VAL A 32 2.071 -4.959 -9.099 1.00 0.00 C ATOM 500 C VAL A 32 3.262 -4.324 -8.378 1.00 0.00 C ATOM 501 O VAL A 32 3.874 -3.398 -8.875 1.00 0.00 O ATOM 502 CB VAL A 32 2.559 -5.697 -10.350 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.461 -6.864 -9.942 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.356 -6.236 -11.129 1.00 0.00 C ATOM 0 H VAL A 32 1.517 -3.123 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 32 1.578 -5.667 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 32 3.121 -5.005 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.806 -7.386 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.320 -6.484 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.900 -7.554 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.704 -6.761 -12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.793 -6.924 -10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.713 -5.407 -11.425 1.00 0.00 H new ATOM 514 N VAL A 33 3.590 -4.813 -7.208 1.00 0.00 N ATOM 515 CA VAL A 33 4.738 -4.236 -6.445 1.00 0.00 C ATOM 516 C VAL A 33 5.855 -5.282 -6.310 1.00 0.00 C ATOM 517 O VAL A 33 5.783 -6.146 -5.455 1.00 0.00 O ATOM 518 CB VAL A 33 4.263 -3.820 -5.048 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.412 -3.151 -4.285 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.099 -2.836 -5.178 1.00 0.00 C ATOM 0 H VAL A 33 3.111 -5.588 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 33 5.122 -3.367 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 33 3.936 -4.705 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.068 -2.858 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.242 -3.852 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.745 -2.267 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.761 -2.540 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.428 -1.954 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.278 -3.312 -5.714 1.00 0.00 H new ATOM 530 N PRO A 34 6.863 -5.163 -7.148 1.00 0.00 N ATOM 531 CA PRO A 34 7.981 -6.132 -7.048 1.00 0.00 C ATOM 532 C PRO A 34 8.913 -5.719 -5.906 1.00 0.00 C ATOM 533 O PRO A 34 9.324 -6.532 -5.100 1.00 0.00 O ATOM 534 CB PRO A 34 8.699 -6.044 -8.394 1.00 0.00 C ATOM 535 CG PRO A 34 8.347 -4.665 -8.978 1.00 0.00 C ATOM 536 CD PRO A 34 7.067 -4.200 -8.265 1.00 0.00 C ATOM 0 HA PRO A 34 7.645 -7.147 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.777 -6.150 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.376 -6.843 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.160 -3.957 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.189 -4.729 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.174 -3.182 -7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.216 -4.202 -8.946 1.00 0.00 H new ATOM 544 N ASN A 35 9.236 -4.454 -5.835 1.00 0.00 N ATOM 545 CA ASN A 35 10.130 -3.960 -4.748 1.00 0.00 C ATOM 546 C ASN A 35 9.333 -3.014 -3.845 1.00 0.00 C ATOM 547 O ASN A 35 9.413 -1.807 -3.971 1.00 0.00 O ATOM 548 CB ASN A 35 11.315 -3.209 -5.364 1.00 0.00 C ATOM 549 CG ASN A 35 12.000 -4.097 -6.404 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.809 -3.922 -7.591 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.797 -5.053 -6.007 1.00 0.00 N ATOM 0 H ASN A 35 8.916 -3.738 -6.488 1.00 0.00 H new ATOM 0 HA ASN A 35 10.505 -4.800 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.971 -2.285 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.025 -2.929 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.258 -5.651 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.959 -5.202 -5.011 1.00 0.00 H new ATOM 558 N ARG A 36 8.557 -3.559 -2.943 1.00 0.00 N ATOM 559 CA ARG A 36 7.737 -2.706 -2.032 1.00 0.00 C ATOM 560 C ARG A 36 8.625 -2.084 -0.954 1.00 0.00 C ATOM 561 O ARG A 36 8.502 -0.919 -0.629 1.00 0.00 O ATOM 562 CB ARG A 36 6.670 -3.571 -1.352 1.00 0.00 C ATOM 563 CG ARG A 36 5.707 -2.678 -0.556 1.00 0.00 C ATOM 564 CD ARG A 36 5.439 -3.298 0.819 1.00 0.00 C ATOM 565 NE ARG A 36 6.677 -3.229 1.646 1.00 0.00 N ATOM 566 CZ ARG A 36 6.615 -2.803 2.878 1.00 0.00 C ATOM 567 NH1 ARG A 36 6.650 -1.523 3.129 1.00 0.00 N ATOM 568 NH2 ARG A 36 6.522 -3.659 3.859 1.00 0.00 N ATOM 0 H ARG A 36 8.456 -4.564 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 36 7.266 -1.915 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.118 -4.140 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.144 -4.294 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.134 -1.682 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.770 -2.561 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.627 -2.768 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.121 -4.335 0.707 1.00 0.00 H new ATOM 0 HE ARG A 36 7.572 -3.515 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.726 -0.855 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.601 -1.191 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.498 -4.660 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.473 -3.327 4.822 1.00 0.00 H new ATOM 582 N GLU A 37 9.504 -2.865 -0.384 1.00 0.00 N ATOM 583 CA GLU A 37 10.397 -2.344 0.697 1.00 0.00 C ATOM 584 C GLU A 37 11.229 -1.163 0.187 1.00 0.00 C ATOM 585 O GLU A 37 11.655 -0.322 0.958 1.00 0.00 O ATOM 586 CB GLU A 37 11.334 -3.464 1.163 1.00 0.00 C ATOM 587 CG GLU A 37 12.120 -4.013 -0.035 1.00 0.00 C ATOM 588 CD GLU A 37 12.208 -5.539 0.060 1.00 0.00 C ATOM 589 OE1 GLU A 37 12.564 -6.029 1.120 1.00 0.00 O ATOM 590 OE2 GLU A 37 11.917 -6.193 -0.929 1.00 0.00 O ATOM 0 H GLU A 37 9.644 -3.847 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 37 9.780 -2.003 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.022 -3.085 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.758 -4.263 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.631 -3.725 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.121 -3.582 -0.054 1.00 0.00 H new ATOM 597 N ARG A 38 11.466 -1.091 -1.097 1.00 0.00 N ATOM 598 CA ARG A 38 12.274 0.039 -1.647 1.00 0.00 C ATOM 599 C ARG A 38 11.336 1.159 -2.113 1.00 0.00 C ATOM 600 O ARG A 38 11.677 2.326 -2.069 1.00 0.00 O ATOM 601 CB ARG A 38 13.116 -0.466 -2.828 1.00 0.00 C ATOM 602 CG ARG A 38 14.595 -0.519 -2.425 1.00 0.00 C ATOM 603 CD ARG A 38 14.860 -1.779 -1.598 1.00 0.00 C ATOM 604 NE ARG A 38 16.247 -1.733 -1.052 1.00 0.00 N ATOM 605 CZ ARG A 38 16.926 -2.838 -0.898 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.088 -3.650 -1.907 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.445 -3.131 0.263 1.00 0.00 N ATOM 0 H ARG A 38 11.136 -1.765 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 38 12.937 0.428 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.776 -1.456 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.987 0.193 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.225 -0.517 -3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.857 0.368 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.139 -1.850 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.731 -2.667 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 38 16.666 -0.838 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.684 -3.421 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.618 -4.513 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.321 -2.497 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.975 -3.994 0.381 1.00 0.00 H new ATOM 621 N PHE A 39 10.151 0.809 -2.549 1.00 0.00 N ATOM 622 CA PHE A 39 9.173 1.842 -3.013 1.00 0.00 C ATOM 623 C PHE A 39 8.914 2.843 -1.874 1.00 0.00 C ATOM 624 O PHE A 39 9.217 4.014 -1.986 1.00 0.00 O ATOM 625 CB PHE A 39 7.867 1.131 -3.433 1.00 0.00 C ATOM 626 CG PHE A 39 6.713 2.111 -3.541 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.505 2.837 -4.721 1.00 0.00 C ATOM 628 CD2 PHE A 39 5.856 2.291 -2.448 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.439 3.742 -4.805 1.00 0.00 C ATOM 630 CE2 PHE A 39 4.791 3.194 -2.534 1.00 0.00 C ATOM 631 CZ PHE A 39 4.582 3.918 -3.711 1.00 0.00 C ATOM 0 H PHE A 39 9.817 -0.153 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 39 9.568 2.391 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.014 0.633 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.622 0.357 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.165 2.699 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.017 1.732 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.278 4.304 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.130 3.332 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.759 4.614 -3.777 1.00 0.00 H new ATOM 641 N VAL A 40 8.354 2.383 -0.784 1.00 0.00 N ATOM 642 CA VAL A 40 8.061 3.293 0.367 1.00 0.00 C ATOM 643 C VAL A 40 9.329 4.043 0.787 1.00 0.00 C ATOM 644 O VAL A 40 9.335 5.252 0.897 1.00 0.00 O ATOM 645 CB VAL A 40 7.560 2.464 1.553 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.113 3.395 2.682 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.379 1.599 1.110 1.00 0.00 C ATOM 0 H VAL A 40 8.085 1.410 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 40 7.301 4.013 0.062 1.00 0.00 H new ATOM 0 HB VAL A 40 8.367 1.824 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.757 2.801 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.955 4.010 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.308 4.038 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.023 1.009 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.574 2.239 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.697 0.931 0.310 1.00 0.00 H new ATOM 657 N GLN A 41 10.392 3.323 1.034 1.00 0.00 N ATOM 658 CA GLN A 41 11.674 3.960 1.477 1.00 0.00 C ATOM 659 C GLN A 41 12.058 5.158 0.593 1.00 0.00 C ATOM 660 O GLN A 41 12.700 6.082 1.060 1.00 0.00 O ATOM 661 CB GLN A 41 12.796 2.920 1.427 1.00 0.00 C ATOM 662 CG GLN A 41 12.941 2.257 2.799 1.00 0.00 C ATOM 663 CD GLN A 41 13.868 3.097 3.681 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.757 3.762 3.186 1.00 0.00 O ATOM 665 NE2 GLN A 41 13.699 3.095 4.974 1.00 0.00 N ATOM 0 H GLN A 41 10.429 2.307 0.947 1.00 0.00 H new ATOM 0 HA GLN A 41 11.531 4.326 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.575 2.168 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.734 3.395 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.964 2.159 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.343 1.250 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.953 2.537 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.313 3.651 5.569 1.00 0.00 H new ATOM 674 N GLU A 42 11.703 5.149 -0.671 1.00 0.00 N ATOM 675 CA GLU A 42 12.097 6.298 -1.546 1.00 0.00 C ATOM 676 C GLU A 42 10.940 6.754 -2.443 1.00 0.00 C ATOM 677 O GLU A 42 11.161 7.186 -3.558 1.00 0.00 O ATOM 678 CB GLU A 42 13.277 5.871 -2.420 1.00 0.00 C ATOM 679 CG GLU A 42 14.498 5.622 -1.534 1.00 0.00 C ATOM 680 CD GLU A 42 15.772 5.861 -2.345 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.981 5.140 -3.306 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.516 6.761 -1.991 1.00 0.00 O ATOM 0 H GLU A 42 11.168 4.410 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 42 12.372 7.136 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.025 4.967 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.499 6.645 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.475 6.285 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.482 4.601 -1.153 1.00 0.00 H new ATOM 689 N VAL A 43 9.718 6.689 -1.969 1.00 0.00 N ATOM 690 CA VAL A 43 8.566 7.147 -2.812 1.00 0.00 C ATOM 691 C VAL A 43 7.393 7.597 -1.928 1.00 0.00 C ATOM 692 O VAL A 43 6.718 8.559 -2.246 1.00 0.00 O ATOM 693 CB VAL A 43 8.104 6.013 -3.745 1.00 0.00 C ATOM 694 CG1 VAL A 43 6.973 6.513 -4.651 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.272 5.556 -4.625 1.00 0.00 C ATOM 0 H VAL A 43 9.469 6.342 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 43 8.900 7.993 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 43 7.751 5.181 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.650 5.706 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.133 6.839 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.331 7.350 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.939 4.753 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.625 6.395 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.084 5.194 -3.994 1.00 0.00 H new ATOM 705 N LEU A 44 7.128 6.914 -0.837 1.00 0.00 N ATOM 706 CA LEU A 44 5.980 7.324 0.030 1.00 0.00 C ATOM 707 C LEU A 44 6.279 8.673 0.712 1.00 0.00 C ATOM 708 O LEU A 44 5.458 9.572 0.660 1.00 0.00 O ATOM 709 CB LEU A 44 5.707 6.248 1.090 1.00 0.00 C ATOM 710 CG LEU A 44 4.458 6.624 1.891 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.224 6.523 0.992 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.303 5.667 3.075 1.00 0.00 C ATOM 0 H LEU A 44 7.651 6.100 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 44 5.095 7.437 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.567 5.279 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.564 6.153 1.756 1.00 0.00 H new ATOM 0 HG LEU A 44 4.558 7.645 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.335 6.791 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.332 7.204 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.125 5.502 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.414 5.935 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.204 4.646 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.181 5.738 3.717 1.00 0.00 H new ATOM 724 N PRO A 45 7.438 8.780 1.336 1.00 0.00 N ATOM 725 CA PRO A 45 7.754 10.068 2.010 1.00 0.00 C ATOM 726 C PRO A 45 8.085 11.160 0.982 1.00 0.00 C ATOM 727 O PRO A 45 8.023 12.337 1.280 1.00 0.00 O ATOM 728 CB PRO A 45 8.982 9.771 2.869 1.00 0.00 C ATOM 729 CG PRO A 45 9.660 8.547 2.239 1.00 0.00 C ATOM 730 CD PRO A 45 8.587 7.838 1.399 1.00 0.00 C ATOM 0 HA PRO A 45 6.910 10.433 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.660 10.625 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.695 9.569 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.503 8.848 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.052 7.882 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.960 7.608 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.294 6.893 1.855 1.00 0.00 H new ATOM 738 N LYS A 46 8.454 10.775 -0.215 1.00 0.00 N ATOM 739 CA LYS A 46 8.816 11.783 -1.259 1.00 0.00 C ATOM 740 C LYS A 46 7.587 12.608 -1.669 1.00 0.00 C ATOM 741 O LYS A 46 7.723 13.695 -2.199 1.00 0.00 O ATOM 742 CB LYS A 46 9.376 11.053 -2.490 1.00 0.00 C ATOM 743 CG LYS A 46 10.891 11.267 -2.578 1.00 0.00 C ATOM 744 CD LYS A 46 11.620 10.223 -1.718 1.00 0.00 C ATOM 745 CE LYS A 46 12.291 10.908 -0.525 1.00 0.00 C ATOM 746 NZ LYS A 46 13.690 11.272 -0.886 1.00 0.00 N ATOM 0 H LYS A 46 8.520 9.802 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 46 9.566 12.460 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.153 9.988 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.894 11.424 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.218 11.189 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.145 12.271 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.913 9.471 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.367 9.703 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.733 11.801 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.288 10.244 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.147 11.738 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.219 10.412 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.681 11.921 -1.699 1.00 0.00 H new ATOM 760 N TYR A 47 6.398 12.104 -1.447 1.00 0.00 N ATOM 761 CA TYR A 47 5.177 12.868 -1.849 1.00 0.00 C ATOM 762 C TYR A 47 4.457 13.408 -0.611 1.00 0.00 C ATOM 763 O TYR A 47 3.998 14.536 -0.595 1.00 0.00 O ATOM 764 CB TYR A 47 4.235 11.946 -2.623 1.00 0.00 C ATOM 765 CG TYR A 47 4.771 11.735 -4.019 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.944 10.994 -4.217 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.097 12.284 -5.119 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.440 10.800 -5.511 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.594 12.089 -6.412 1.00 0.00 C ATOM 770 CZ TYR A 47 5.766 11.349 -6.609 1.00 0.00 C ATOM 771 OH TYR A 47 6.256 11.158 -7.884 1.00 0.00 O ATOM 0 H TYR A 47 6.221 11.201 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 47 5.475 13.707 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.142 10.989 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.237 12.382 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.465 10.572 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.194 12.857 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.343 10.227 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.073 12.510 -7.259 1.00 0.00 H new ATOM 0 HH TYR A 47 5.669 11.603 -8.530 1.00 0.00 H new ATOM 781 N PHE A 48 4.343 12.611 0.418 1.00 0.00 N ATOM 782 CA PHE A 48 3.642 13.069 1.652 1.00 0.00 C ATOM 783 C PHE A 48 4.661 13.310 2.766 1.00 0.00 C ATOM 784 O PHE A 48 4.493 14.183 3.595 1.00 0.00 O ATOM 785 CB PHE A 48 2.649 11.991 2.096 1.00 0.00 C ATOM 786 CG PHE A 48 1.712 11.658 0.956 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.158 10.877 -0.118 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.394 12.132 0.975 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.288 10.570 -1.171 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.476 11.824 -0.078 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.030 11.043 -1.150 1.00 0.00 C ATOM 0 H PHE A 48 4.707 11.659 0.457 1.00 0.00 H new ATOM 0 HA PHE A 48 3.111 13.998 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.186 11.096 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.079 12.341 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.174 10.511 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.049 12.735 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.633 9.969 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.492 12.190 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.702 10.805 -1.961 1.00 0.00 H new ATOM 801 N LYS A 49 5.715 12.535 2.790 1.00 0.00 N ATOM 802 CA LYS A 49 6.759 12.691 3.850 1.00 0.00 C ATOM 803 C LYS A 49 6.140 12.400 5.221 1.00 0.00 C ATOM 804 O LYS A 49 4.963 12.611 5.436 1.00 0.00 O ATOM 805 CB LYS A 49 7.326 14.110 3.828 1.00 0.00 C ATOM 806 CG LYS A 49 8.833 14.069 4.108 1.00 0.00 C ATOM 807 CD LYS A 49 9.381 15.495 4.190 1.00 0.00 C ATOM 808 CE LYS A 49 10.746 15.483 4.884 1.00 0.00 C ATOM 809 NZ LYS A 49 11.685 14.609 4.125 1.00 0.00 N ATOM 0 H LYS A 49 5.899 11.793 2.114 1.00 0.00 H new ATOM 0 HA LYS A 49 7.570 11.988 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.139 14.572 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.824 14.724 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.025 13.541 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.344 13.517 3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.474 15.917 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.688 16.131 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.144 16.496 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.642 15.121 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.658 14.782 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.439 13.612 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.614 14.822 3.110 1.00 0.00 H new ATOM 823 N HIS A 50 6.927 11.907 6.150 1.00 0.00 N ATOM 824 CA HIS A 50 6.389 11.595 7.512 1.00 0.00 C ATOM 825 C HIS A 50 5.223 10.609 7.394 1.00 0.00 C ATOM 826 O HIS A 50 4.241 10.703 8.105 1.00 0.00 O ATOM 827 CB HIS A 50 5.908 12.886 8.179 1.00 0.00 C ATOM 828 CG HIS A 50 7.098 13.720 8.560 1.00 0.00 C ATOM 829 ND1 HIS A 50 8.238 13.167 9.118 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.340 15.069 8.469 1.00 0.00 C ATOM 831 CE1 HIS A 50 9.108 14.169 9.340 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.611 15.349 8.963 1.00 0.00 N ATOM 0 H HIS A 50 7.919 11.708 6.022 1.00 0.00 H new ATOM 0 HA HIS A 50 7.176 11.146 8.118 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.262 13.442 7.499 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.314 12.653 9.063 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.650 15.800 8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.089 14.035 9.771 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.065 16.260 9.024 1.00 0.00 H new ATOM 840 N SER A 51 5.329 9.667 6.491 1.00 0.00 N ATOM 841 CA SER A 51 4.237 8.669 6.305 1.00 0.00 C ATOM 842 C SER A 51 4.792 7.257 6.511 1.00 0.00 C ATOM 843 O SER A 51 5.978 7.069 6.703 1.00 0.00 O ATOM 844 CB SER A 51 3.674 8.795 4.889 1.00 0.00 C ATOM 845 OG SER A 51 2.362 8.249 4.852 1.00 0.00 O ATOM 0 H SER A 51 6.131 9.547 5.872 1.00 0.00 H new ATOM 0 HA SER A 51 3.446 8.855 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.653 9.842 4.586 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.318 8.272 4.182 1.00 0.00 H new ATOM 0 HG SER A 51 1.999 8.331 3.945 1.00 0.00 H new ATOM 851 N ASN A 52 3.937 6.268 6.465 1.00 0.00 N ATOM 852 CA ASN A 52 4.395 4.859 6.653 1.00 0.00 C ATOM 853 C ASN A 52 3.646 3.953 5.671 1.00 0.00 C ATOM 854 O ASN A 52 2.638 4.336 5.106 1.00 0.00 O ATOM 855 CB ASN A 52 4.103 4.416 8.094 1.00 0.00 C ATOM 856 CG ASN A 52 5.393 4.454 8.919 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.010 5.492 9.056 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.831 3.358 9.478 1.00 0.00 N ATOM 0 H ASN A 52 2.936 6.377 6.304 1.00 0.00 H new ATOM 0 HA ASN A 52 5.467 4.790 6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.355 5.071 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.688 3.408 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.690 3.374 10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.315 2.486 9.364 1.00 0.00 H new ATOM 865 N PHE A 53 4.135 2.756 5.459 1.00 0.00 N ATOM 866 CA PHE A 53 3.461 1.818 4.508 1.00 0.00 C ATOM 867 C PHE A 53 2.015 1.566 4.953 1.00 0.00 C ATOM 868 O PHE A 53 1.131 1.393 4.139 1.00 0.00 O ATOM 869 CB PHE A 53 4.220 0.485 4.472 1.00 0.00 C ATOM 870 CG PHE A 53 4.311 -0.096 5.865 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.265 -0.884 6.361 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.438 0.153 6.658 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.346 -1.423 7.650 1.00 0.00 C ATOM 874 CE2 PHE A 53 5.518 -0.387 7.947 1.00 0.00 C ATOM 875 CZ PHE A 53 4.471 -1.175 8.443 1.00 0.00 C ATOM 0 H PHE A 53 4.975 2.387 5.905 1.00 0.00 H new ATOM 0 HA PHE A 53 3.458 2.265 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.711 -0.215 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.220 0.637 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.396 -1.076 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.245 0.761 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.539 -2.031 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.387 -0.196 8.559 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.533 -1.591 9.438 1.00 0.00 H new ATOM 885 N ALA A 54 1.780 1.534 6.237 1.00 0.00 N ATOM 886 CA ALA A 54 0.400 1.285 6.750 1.00 0.00 C ATOM 887 C ALA A 54 -0.506 2.472 6.405 1.00 0.00 C ATOM 888 O ALA A 54 -1.691 2.313 6.181 1.00 0.00 O ATOM 889 CB ALA A 54 0.448 1.106 8.268 1.00 0.00 C ATOM 0 H ALA A 54 2.489 1.670 6.958 1.00 0.00 H new ATOM 0 HA ALA A 54 0.001 0.383 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.558 0.924 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.087 0.258 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.850 2.009 8.728 1.00 0.00 H new ATOM 895 N SER A 55 0.046 3.658 6.366 1.00 0.00 N ATOM 896 CA SER A 55 -0.775 4.861 6.041 1.00 0.00 C ATOM 897 C SER A 55 -1.208 4.806 4.574 1.00 0.00 C ATOM 898 O SER A 55 -2.350 5.065 4.244 1.00 0.00 O ATOM 899 CB SER A 55 0.056 6.122 6.284 1.00 0.00 C ATOM 900 OG SER A 55 -0.258 6.650 7.566 1.00 0.00 O ATOM 0 H SER A 55 1.033 3.844 6.546 1.00 0.00 H new ATOM 0 HA SER A 55 -1.660 4.880 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.119 5.888 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.151 6.863 5.512 1.00 0.00 H new ATOM 0 HG SER A 55 0.274 7.457 7.726 1.00 0.00 H new ATOM 906 N PHE A 56 -0.300 4.471 3.693 1.00 0.00 N ATOM 907 CA PHE A 56 -0.643 4.391 2.241 1.00 0.00 C ATOM 908 C PHE A 56 -1.737 3.339 2.030 1.00 0.00 C ATOM 909 O PHE A 56 -2.719 3.572 1.351 1.00 0.00 O ATOM 910 CB PHE A 56 0.610 3.991 1.454 1.00 0.00 C ATOM 911 CG PHE A 56 0.321 4.005 -0.030 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.270 5.128 -0.620 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.653 2.894 -0.818 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.532 5.142 -1.996 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.393 2.909 -2.193 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.199 4.031 -2.782 1.00 0.00 C ATOM 0 H PHE A 56 0.669 4.248 3.919 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.004 5.359 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.425 4.679 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.938 2.997 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.524 5.985 -0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.109 2.027 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.990 6.008 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.650 2.053 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.400 4.041 -3.843 1.00 0.00 H new ATOM 926 N VAL A 57 -1.560 2.182 2.607 1.00 0.00 N ATOM 927 CA VAL A 57 -2.566 1.089 2.454 1.00 0.00 C ATOM 928 C VAL A 57 -3.909 1.528 3.048 1.00 0.00 C ATOM 929 O VAL A 57 -4.955 1.072 2.629 1.00 0.00 O ATOM 930 CB VAL A 57 -2.070 -0.160 3.189 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.025 -1.325 2.921 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.663 -0.529 2.695 1.00 0.00 C ATOM 0 H VAL A 57 -0.753 1.944 3.184 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.698 0.867 1.395 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.035 0.044 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.671 -2.213 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.022 -1.067 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.063 -1.526 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.314 -1.418 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.694 -0.730 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.019 0.298 2.889 1.00 0.00 H new ATOM 942 N ARG A 58 -3.887 2.404 4.023 1.00 0.00 N ATOM 943 CA ARG A 58 -5.163 2.869 4.647 1.00 0.00 C ATOM 944 C ARG A 58 -5.944 3.721 3.643 1.00 0.00 C ATOM 945 O ARG A 58 -7.147 3.586 3.507 1.00 0.00 O ATOM 946 CB ARG A 58 -4.848 3.706 5.894 1.00 0.00 C ATOM 947 CG ARG A 58 -5.090 2.873 7.162 1.00 0.00 C ATOM 948 CD ARG A 58 -5.810 3.721 8.221 1.00 0.00 C ATOM 949 NE ARG A 58 -7.032 3.005 8.681 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.131 2.616 9.924 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.975 3.478 10.891 1.00 0.00 N ATOM 952 NH2 ARG A 58 -7.386 1.366 10.197 1.00 0.00 N ATOM 0 H ARG A 58 -3.040 2.817 4.413 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.763 2.005 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.812 4.044 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.474 4.598 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.688 1.994 6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.140 2.513 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.146 3.909 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.079 4.692 7.804 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.791 2.818 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.776 4.455 10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.052 3.175 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.508 0.693 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.463 1.061 11.167 1.00 0.00 H new ATOM 966 N GLN A 59 -5.270 4.599 2.943 1.00 0.00 N ATOM 967 CA GLN A 59 -5.969 5.468 1.950 1.00 0.00 C ATOM 968 C GLN A 59 -6.592 4.599 0.852 1.00 0.00 C ATOM 969 O GLN A 59 -7.743 4.765 0.500 1.00 0.00 O ATOM 970 CB GLN A 59 -4.969 6.436 1.309 1.00 0.00 C ATOM 971 CG GLN A 59 -4.538 7.510 2.317 1.00 0.00 C ATOM 972 CD GLN A 59 -5.753 8.333 2.752 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.254 9.141 1.998 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.246 8.160 3.947 1.00 0.00 N ATOM 0 H GLN A 59 -4.264 4.751 3.017 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.748 6.032 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.095 5.886 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.420 6.908 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.075 7.041 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.788 8.162 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.824 7.480 4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.054 8.704 4.249 1.00 0.00 H new ATOM 983 N LEU A 60 -5.834 3.681 0.307 1.00 0.00 N ATOM 984 CA LEU A 60 -6.368 2.801 -0.778 1.00 0.00 C ATOM 985 C LEU A 60 -7.578 2.010 -0.270 1.00 0.00 C ATOM 986 O LEU A 60 -8.523 1.772 -0.999 1.00 0.00 O ATOM 987 CB LEU A 60 -5.276 1.822 -1.219 1.00 0.00 C ATOM 988 CG LEU A 60 -4.146 2.588 -1.904 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.894 1.709 -1.965 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.575 2.962 -3.324 1.00 0.00 C ATOM 0 H LEU A 60 -4.864 3.502 0.568 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.675 3.422 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.890 1.280 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.692 1.081 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.926 3.493 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.088 2.257 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.588 1.440 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.113 0.803 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.770 3.509 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.795 2.056 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.466 3.588 -3.282 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.549 1.592 0.969 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.688 0.799 1.530 1.00 0.00 C ATOM 1004 C ASN A 61 -9.888 1.709 1.826 1.00 0.00 C ATOM 1005 O ASN A 61 -11.009 1.243 1.933 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.236 0.118 2.823 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.387 -1.108 2.481 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.198 -1.126 2.730 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.950 -2.139 1.911 1.00 0.00 N ATOM 0 H ASN A 61 -6.783 1.766 1.620 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.991 0.051 0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.660 0.815 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.103 -0.179 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.392 -2.959 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.948 -2.124 1.702 1.00 0.00 H new ATOM 1016 N MET A 62 -9.670 2.994 1.966 1.00 0.00 N ATOM 1017 CA MET A 62 -10.806 3.922 2.263 1.00 0.00 C ATOM 1018 C MET A 62 -11.514 4.353 0.967 1.00 0.00 C ATOM 1019 O MET A 62 -12.352 5.236 0.988 1.00 0.00 O ATOM 1020 CB MET A 62 -10.272 5.165 2.981 1.00 0.00 C ATOM 1021 CG MET A 62 -10.031 4.841 4.457 1.00 0.00 C ATOM 1022 SD MET A 62 -9.795 6.380 5.382 1.00 0.00 S ATOM 1023 CE MET A 62 -8.613 5.741 6.595 1.00 0.00 C ATOM 0 H MET A 62 -8.756 3.440 1.888 1.00 0.00 H new ATOM 0 HA MET A 62 -11.523 3.400 2.896 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.344 5.496 2.515 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.985 5.985 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 62 -10.878 4.287 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.153 4.203 4.562 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.327 6.539 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 62 -9.072 4.928 7.157 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.727 5.370 6.079 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.196 3.749 -0.157 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.866 4.144 -1.435 1.00 0.00 C ATOM 1035 C TYR A 63 -12.476 2.914 -2.116 1.00 0.00 C ATOM 1036 O TYR A 63 -13.542 2.990 -2.696 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.839 4.797 -2.363 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.376 6.093 -1.743 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.293 7.126 -1.517 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.034 6.259 -1.382 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.868 8.325 -0.934 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.608 7.457 -0.797 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.526 8.491 -0.573 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.108 9.671 0.007 1.00 0.00 O ATOM 0 H TYR A 63 -10.505 3.004 -0.242 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.665 4.853 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.992 4.129 -2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.280 4.984 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.329 6.998 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.326 5.462 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.576 9.123 -0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.572 7.584 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.355 9.491 0.608 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.814 1.783 -2.048 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.367 0.554 -2.692 1.00 0.00 C ATOM 1056 C GLY A 64 -11.241 -0.441 -2.985 1.00 0.00 C ATOM 1057 O GLY A 64 -11.468 -1.633 -3.075 1.00 0.00 O ATOM 0 H GLY A 64 -10.918 1.660 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.108 0.094 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.879 0.818 -3.617 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.029 0.035 -3.139 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.881 -0.879 -3.434 1.00 0.00 C ATOM 1063 C TRP A 65 -8.787 -1.976 -2.369 1.00 0.00 C ATOM 1064 O TRP A 65 -8.807 -1.706 -1.183 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.579 -0.075 -3.446 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.559 0.827 -4.637 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.003 2.106 -4.653 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.079 0.543 -5.982 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.825 2.624 -5.924 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.259 1.699 -6.779 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.510 -0.594 -6.583 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.887 1.724 -8.123 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.136 -0.572 -7.936 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.323 0.586 -8.704 1.00 0.00 C ATOM 0 H TRP A 65 -9.785 1.023 -3.073 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.041 -1.341 -4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.493 0.512 -2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.723 -0.750 -3.473 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.426 2.635 -3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.081 3.573 -6.196 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.360 -1.490 -6.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.034 2.618 -8.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.702 -1.452 -8.388 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.031 0.598 -9.744 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.680 -3.210 -2.791 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.578 -4.337 -1.819 1.00 0.00 C ATOM 1087 C HIS A 66 -7.285 -5.107 -2.082 1.00 0.00 C ATOM 1088 O HIS A 66 -6.815 -5.174 -3.199 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.770 -5.281 -1.998 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.032 -4.590 -1.561 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.287 -5.033 -1.947 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.251 -3.488 -0.770 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.195 -4.210 -1.393 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.617 -3.251 -0.666 1.00 0.00 N ATOM 0 H HIS A 66 -8.659 -3.485 -3.773 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.577 -3.943 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.853 -5.585 -3.042 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.619 -6.188 -1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.479 -2.896 -0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.263 -4.312 -1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.078 -2.505 -0.146 1.00 0.00 H new ATOM 1334 N ARG A 83 5.660 -9.552 -2.754 1.00 0.00 N ATOM 1335 CA ARG A 83 4.807 -9.280 -3.948 1.00 0.00 C ATOM 1336 C ARG A 83 3.432 -8.794 -3.489 1.00 0.00 C ATOM 1337 O ARG A 83 2.674 -9.533 -2.887 1.00 0.00 O ATOM 1338 CB ARG A 83 4.648 -10.563 -4.764 1.00 0.00 C ATOM 1339 CG ARG A 83 5.956 -10.871 -5.493 1.00 0.00 C ATOM 1340 CD ARG A 83 5.647 -11.599 -6.802 1.00 0.00 C ATOM 1341 NE ARG A 83 6.903 -12.168 -7.364 1.00 0.00 N ATOM 1342 CZ ARG A 83 7.070 -12.224 -8.656 1.00 0.00 C ATOM 1343 NH1 ARG A 83 7.328 -11.135 -9.326 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.974 -13.367 -9.278 1.00 0.00 N ATOM 0 HA ARG A 83 5.277 -8.514 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.381 -11.392 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.837 -10.451 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.498 -9.948 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.600 -11.487 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.922 -12.394 -6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.196 -10.910 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 83 7.632 -12.513 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.399 -10.241 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.459 -11.177 -10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.768 -14.217 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.105 -13.410 -10.289 1.00 0.00 H new ATOM 1358 N TRP A 84 3.106 -7.557 -3.769 1.00 0.00 N ATOM 1359 CA TRP A 84 1.781 -7.015 -3.351 1.00 0.00 C ATOM 1360 C TRP A 84 0.950 -6.682 -4.587 1.00 0.00 C ATOM 1361 O TRP A 84 1.354 -5.897 -5.425 1.00 0.00 O ATOM 1362 CB TRP A 84 1.981 -5.746 -2.524 1.00 0.00 C ATOM 1363 CG TRP A 84 2.678 -6.085 -1.247 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.918 -6.612 -1.160 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.198 -5.931 0.119 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.235 -6.789 0.175 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.206 -6.384 1.002 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.000 -5.446 0.673 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.031 -6.358 2.386 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.820 -5.418 2.065 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.835 -5.872 2.920 1.00 0.00 C ATOM 0 H TRP A 84 3.703 -6.899 -4.270 1.00 0.00 H new ATOM 0 HA TRP A 84 1.262 -7.763 -2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.567 -5.021 -3.088 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.018 -5.282 -2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.558 -6.855 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.120 -7.172 0.508 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.213 -5.093 0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.815 -6.711 3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.105 -5.045 2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.692 -5.846 3.990 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.212 -7.269 -4.700 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.087 -6.989 -5.873 1.00 0.00 C ATOM 1384 C GLU A 85 -2.324 -6.227 -5.396 1.00 0.00 C ATOM 1385 O GLU A 85 -2.966 -6.616 -4.437 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.516 -8.307 -6.524 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.286 -9.186 -6.775 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.150 -10.214 -5.648 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.970 -11.116 -5.594 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.769 -10.079 -4.858 1.00 0.00 O ATOM 0 H GLU A 85 -0.593 -7.933 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.542 -6.392 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.222 -8.829 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.031 -8.108 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.379 -9.694 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.610 -8.568 -6.827 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.657 -5.141 -6.047 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.848 -4.352 -5.620 1.00 0.00 C ATOM 1399 C PHE A 86 -4.956 -4.468 -6.669 1.00 0.00 C ATOM 1400 O PHE A 86 -4.702 -4.476 -7.859 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.456 -2.874 -5.441 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.344 -2.706 -4.408 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.094 -3.689 -3.432 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.567 -1.540 -4.426 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.075 -3.503 -2.492 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.546 -1.357 -3.484 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.301 -2.338 -2.516 1.00 0.00 C ATOM 0 H PHE A 86 -2.156 -4.769 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.213 -4.746 -4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.129 -2.466 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.330 -2.301 -5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.690 -4.589 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.756 -0.779 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.885 -4.261 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.052 -0.458 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.485 -2.196 -1.789 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.184 -4.554 -6.228 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.330 -4.665 -7.176 1.00 0.00 C ATOM 1419 C GLU A 87 -8.437 -3.706 -6.729 1.00 0.00 C ATOM 1420 O GLU A 87 -8.213 -2.821 -5.926 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.860 -6.106 -7.173 1.00 0.00 C ATOM 1422 CG GLU A 87 -8.134 -6.561 -8.610 1.00 0.00 C ATOM 1423 CD GLU A 87 -8.678 -7.991 -8.600 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.235 -8.767 -7.770 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -9.527 -8.286 -9.425 1.00 0.00 O ATOM 0 H GLU A 87 -6.443 -4.552 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.005 -4.407 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.133 -6.769 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.774 -6.166 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.852 -5.891 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.218 -6.514 -9.198 1.00 0.00 H new