USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 572 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 142:sc= -1.03! (180deg=-6.04!) USER MOD Set 2.2: A 11 GLN : amide:sc= -1.7! X(o=-1.1!,f=-1.4) USER MOD Set 2.3: A 22 GLN : amide:sc= 1.64 K(o=-1.1,f=-17!) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0207 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -3.04 F(o=-3.8!,f=-3) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-4.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 64:sc= 0.563 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 110:sc= -0.576 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 88:sc= 0.787 USER MOD Single : A 39 THR OG1 : rot 120:sc= -0.175 USER MOD Single : A 44 TYR OH : rot -161:sc= 0.0609 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.532) USER MOD Single : A 88 CYS SG : rot -10:sc= -8.64! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.102 (180deg=-0.315) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -1.138 -5.877 1.687 1.00 64.23 N ATOM 21 CA SER A 2 -0.334 -4.879 0.951 1.00 53.43 C ATOM 22 C SER A 2 -1.063 -4.348 -0.297 1.00 11.22 C ATOM 23 O SER A 2 -1.735 -5.096 -1.005 1.00 32.44 O ATOM 24 CB SER A 2 1.015 -5.475 0.522 1.00 34.32 C ATOM 25 OG SER A 2 1.794 -5.867 1.638 1.00 44.30 O ATOM 0 HA SER A 2 -0.173 -4.047 1.636 1.00 53.43 H new ATOM 0 HB2 SER A 2 0.843 -6.337 -0.123 1.00 34.32 H new ATOM 0 HB3 SER A 2 1.566 -4.742 -0.067 1.00 34.32 H new ATOM 0 HG SER A 2 1.214 -6.271 2.316 1.00 44.30 H new ATOM 31 N TRP A 3 -0.901 -3.057 -0.568 1.00 35.01 N ATOM 32 CA TRP A 3 -1.522 -2.413 -1.736 1.00 2.51 C ATOM 33 C TRP A 3 -1.115 -3.101 -3.049 1.00 21.32 C ATOM 34 O TRP A 3 -1.916 -3.218 -3.975 1.00 63.34 O ATOM 35 CB TRP A 3 -1.131 -0.930 -1.783 1.00 1.13 C ATOM 36 CG TRP A 3 -1.619 -0.147 -0.597 1.00 34.21 C ATOM 37 CD1 TRP A 3 -2.737 0.633 -0.534 1.00 22.22 C ATOM 38 CD2 TRP A 3 -1.005 -0.074 0.697 1.00 75.31 C ATOM 39 NE1 TRP A 3 -2.854 1.187 0.716 1.00 14.21 N ATOM 40 CE2 TRP A 3 -1.805 0.767 1.490 1.00 1.14 C ATOM 41 CE3 TRP A 3 0.143 -0.639 1.264 1.00 73.00 C ATOM 42 CZ2 TRP A 3 -1.496 1.058 2.815 1.00 10.21 C ATOM 43 CZ3 TRP A 3 0.448 -0.351 2.580 1.00 63.34 C ATOM 44 CH2 TRP A 3 -0.370 0.490 3.343 1.00 30.32 C ATOM 0 H TRP A 3 -0.342 -2.426 0.006 1.00 35.01 H new ATOM 0 HA TRP A 3 -2.603 -2.506 -1.632 1.00 2.51 H new ATOM 0 HB2 TRP A 3 -0.045 -0.850 -1.841 1.00 1.13 H new ATOM 0 HB3 TRP A 3 -1.532 -0.485 -2.693 1.00 1.13 H new ATOM 0 HD1 TRP A 3 -3.428 0.791 -1.349 1.00 22.22 H new ATOM 0 HE1 TRP A 3 -3.602 1.811 1.020 1.00 14.21 H new ATOM 0 HE3 TRP A 3 0.780 -1.289 0.682 1.00 73.00 H new ATOM 0 HZ2 TRP A 3 -2.123 1.709 3.405 1.00 10.21 H new ATOM 0 HZ3 TRP A 3 1.332 -0.782 3.027 1.00 63.34 H new ATOM 0 HH2 TRP A 3 -0.106 0.695 4.370 1.00 30.32 H new ATOM 55 N MET A 4 0.129 -3.564 -3.109 1.00 32.41 N ATOM 56 CA MET A 4 0.665 -4.209 -4.312 1.00 41.14 C ATOM 57 C MET A 4 -0.101 -5.492 -4.683 1.00 41.02 C ATOM 58 O MET A 4 -0.565 -5.639 -5.816 1.00 24.02 O ATOM 59 CB MET A 4 2.150 -4.509 -4.119 1.00 31.23 C ATOM 60 CG MET A 4 2.985 -3.257 -3.898 1.00 20.24 C ATOM 61 SD MET A 4 2.726 -2.024 -5.193 1.00 43.44 S ATOM 62 CE MET A 4 3.896 -0.760 -4.699 1.00 42.32 C ATOM 0 H MET A 4 0.792 -3.506 -2.336 1.00 32.41 H new ATOM 0 HA MET A 4 0.536 -3.515 -5.142 1.00 41.14 H new ATOM 0 HB2 MET A 4 2.272 -5.176 -3.266 1.00 31.23 H new ATOM 0 HB3 MET A 4 2.525 -5.039 -4.994 1.00 31.23 H new ATOM 0 HG2 MET A 4 2.735 -2.822 -2.930 1.00 20.24 H new ATOM 0 HG3 MET A 4 4.040 -3.528 -3.863 1.00 20.24 H new ATOM 0 HE1 MET A 4 3.854 0.070 -5.404 1.00 42.32 H new ATOM 0 HE2 MET A 4 3.645 -0.402 -3.701 1.00 42.32 H new ATOM 0 HE3 MET A 4 4.902 -1.179 -4.692 1.00 42.32 H new ATOM 72 N GLN A 5 -0.221 -6.430 -3.740 1.00 22.30 N ATOM 73 CA GLN A 5 -1.043 -7.629 -3.961 1.00 12.21 C ATOM 74 C GLN A 5 -2.500 -7.245 -4.248 1.00 50.32 C ATOM 75 O GLN A 5 -3.132 -7.812 -5.139 1.00 14.02 O ATOM 76 CB GLN A 5 -0.954 -8.598 -2.768 1.00 61.14 C ATOM 77 CG GLN A 5 -1.150 -7.941 -1.409 1.00 15.31 C ATOM 78 CD GLN A 5 -1.098 -8.929 -0.259 1.00 34.43 C ATOM 79 OE1 GLN A 5 -2.117 -9.445 0.185 1.00 1.42 O ATOM 80 NE2 GLN A 5 0.090 -9.206 0.229 1.00 54.04 N ATOM 0 H GLN A 5 0.232 -6.387 -2.827 1.00 22.30 H new ATOM 0 HA GLN A 5 -0.648 -8.146 -4.836 1.00 12.21 H new ATOM 0 HB2 GLN A 5 -1.705 -9.378 -2.892 1.00 61.14 H new ATOM 0 HB3 GLN A 5 0.020 -9.087 -2.785 1.00 61.14 H new ATOM 0 HG2 GLN A 5 -0.381 -7.183 -1.264 1.00 15.31 H new ATOM 0 HG3 GLN A 5 -2.111 -7.427 -1.396 1.00 15.31 H new ATOM 0 HE21 GLN A 5 0.919 -8.759 -0.163 1.00 54.04 H new ATOM 0 HE22 GLN A 5 0.183 -9.868 1.000 1.00 54.04 H new ATOM 89 N ASN A 6 -3.007 -6.252 -3.510 1.00 74.34 N ATOM 90 CA ASN A 6 -4.349 -5.702 -3.746 1.00 3.15 C ATOM 91 C ASN A 6 -4.532 -5.298 -5.222 1.00 22.44 C ATOM 92 O ASN A 6 -5.613 -5.454 -5.794 1.00 64.11 O ATOM 93 CB ASN A 6 -4.579 -4.495 -2.823 1.00 63.12 C ATOM 94 CG ASN A 6 -5.820 -3.696 -3.179 1.00 40.03 C ATOM 95 OD1 ASN A 6 -6.919 -3.976 -2.709 1.00 40.15 O ATOM 96 ND2 ASN A 6 -5.652 -2.682 -4.006 1.00 53.10 N ATOM 0 H ASN A 6 -2.506 -5.810 -2.740 1.00 74.34 H new ATOM 0 HA ASN A 6 -5.087 -6.472 -3.521 1.00 3.15 H new ATOM 0 HB2 ASN A 6 -4.663 -4.844 -1.794 1.00 63.12 H new ATOM 0 HB3 ASN A 6 -3.708 -3.841 -2.868 1.00 63.12 H new ATOM 0 HD21 ASN A 6 -6.449 -2.104 -4.273 1.00 53.10 H new ATOM 0 HD22 ASN A 6 -4.725 -2.476 -4.379 1.00 53.10 H new ATOM 103 N LEU A 7 -3.466 -4.777 -5.831 1.00 5.54 N ATOM 104 CA LEU A 7 -3.484 -4.424 -7.251 1.00 31.32 C ATOM 105 C LEU A 7 -3.354 -5.671 -8.136 1.00 32.05 C ATOM 106 O LEU A 7 -4.158 -5.884 -9.037 1.00 42.10 O ATOM 107 CB LEU A 7 -2.359 -3.430 -7.575 1.00 3.30 C ATOM 108 CG LEU A 7 -2.484 -2.057 -6.895 1.00 21.44 C ATOM 109 CD1 LEU A 7 -1.290 -1.173 -7.246 1.00 10.04 C ATOM 110 CD2 LEU A 7 -3.799 -1.377 -7.283 1.00 70.12 C ATOM 0 H LEU A 7 -2.579 -4.590 -5.363 1.00 5.54 H new ATOM 0 HA LEU A 7 -4.444 -3.953 -7.463 1.00 31.32 H new ATOM 0 HB2 LEU A 7 -1.407 -3.876 -7.286 1.00 3.30 H new ATOM 0 HB3 LEU A 7 -2.326 -3.282 -8.654 1.00 3.30 H new ATOM 0 HG LEU A 7 -2.489 -2.209 -5.816 1.00 21.44 H new ATOM 0 HD11 LEU A 7 -1.397 -0.206 -6.755 1.00 10.04 H new ATOM 0 HD12 LEU A 7 -0.371 -1.652 -6.908 1.00 10.04 H new ATOM 0 HD13 LEU A 7 -1.248 -1.030 -8.326 1.00 10.04 H new ATOM 0 HD21 LEU A 7 -3.866 -0.407 -6.790 1.00 70.12 H new ATOM 0 HD22 LEU A 7 -3.832 -1.238 -8.364 1.00 70.12 H new ATOM 0 HD23 LEU A 7 -4.637 -2.001 -6.972 1.00 70.12 H new ATOM 122 N LYS A 8 -2.353 -6.512 -7.868 1.00 35.00 N ATOM 123 CA LYS A 8 -2.108 -7.691 -8.714 1.00 14.42 C ATOM 124 C LYS A 8 -3.126 -8.816 -8.464 1.00 74.41 C ATOM 125 O LYS A 8 -2.956 -9.933 -8.952 1.00 11.45 O ATOM 126 CB LYS A 8 -0.678 -8.220 -8.543 1.00 51.01 C ATOM 127 CG LYS A 8 -0.405 -8.894 -7.208 1.00 70.11 C ATOM 128 CD LYS A 8 1.004 -9.482 -7.138 1.00 4.34 C ATOM 129 CE LYS A 8 1.216 -10.632 -8.131 1.00 23.32 C ATOM 130 NZ LYS A 8 1.364 -10.172 -9.546 1.00 24.33 N ATOM 0 H LYS A 8 -1.706 -6.406 -7.086 1.00 35.00 H new ATOM 0 HA LYS A 8 -2.234 -7.357 -9.744 1.00 14.42 H new ATOM 0 HB2 LYS A 8 -0.470 -8.931 -9.343 1.00 51.01 H new ATOM 0 HB3 LYS A 8 0.019 -7.391 -8.665 1.00 51.01 H new ATOM 0 HG2 LYS A 8 -0.536 -8.170 -6.404 1.00 70.11 H new ATOM 0 HG3 LYS A 8 -1.136 -9.686 -7.046 1.00 70.11 H new ATOM 0 HD2 LYS A 8 1.732 -8.696 -7.338 1.00 4.34 H new ATOM 0 HD3 LYS A 8 1.193 -9.841 -6.127 1.00 4.34 H new ATOM 0 HE2 LYS A 8 2.106 -11.192 -7.843 1.00 23.32 H new ATOM 0 HE3 LYS A 8 0.372 -11.319 -8.066 1.00 23.32 H new ATOM 0 HZ1 LYS A 8 2.079 -10.754 -10.027 1.00 24.33 H new ATOM 0 HZ2 LYS A 8 0.453 -10.265 -10.038 1.00 24.33 H new ATOM 0 HZ3 LYS A 8 1.664 -9.176 -9.558 1.00 24.33 H new ATOM 144 N ASN A 9 -4.167 -8.525 -7.688 1.00 42.54 N ATOM 145 CA ASN A 9 -5.338 -9.404 -7.619 1.00 60.34 C ATOM 146 C ASN A 9 -6.139 -9.339 -8.929 1.00 61.15 C ATOM 147 O ASN A 9 -7.049 -10.138 -9.154 1.00 12.14 O ATOM 148 CB ASN A 9 -6.246 -9.015 -6.442 1.00 44.22 C ATOM 149 CG ASN A 9 -5.630 -9.321 -5.087 1.00 70.14 C ATOM 150 OD1 ASN A 9 -4.849 -10.380 -5.008 1.00 54.25 O flip ATOM 151 ND2 ASN A 9 -5.874 -8.624 -4.107 1.00 32.30 N flip ATOM 0 H ASN A 9 -4.227 -7.693 -7.100 1.00 42.54 H new ATOM 0 HA ASN A 9 -4.981 -10.423 -7.467 1.00 60.34 H new ATOM 0 HB2 ASN A 9 -6.470 -7.950 -6.500 1.00 44.22 H new ATOM 0 HB3 ASN A 9 -7.194 -9.545 -6.532 1.00 44.22 H new ATOM 0 HD21 ASN A 9 -6.482 -7.810 -4.199 1.00 32.30 H new ATOM 0 HD22 ASN A 9 -5.469 -8.858 -3.201 1.00 32.30 H new ATOM 158 N TYR A 10 -5.802 -8.365 -9.780 1.00 1.12 N ATOM 159 CA TYR A 10 -6.484 -8.182 -11.065 1.00 34.02 C ATOM 160 C TYR A 10 -5.809 -9.004 -12.182 1.00 22.50 C ATOM 161 O TYR A 10 -6.388 -9.966 -12.680 1.00 61.21 O ATOM 162 CB TYR A 10 -6.506 -6.695 -11.459 1.00 75.50 C ATOM 163 CG TYR A 10 -6.920 -5.745 -10.345 1.00 25.14 C ATOM 164 CD1 TYR A 10 -7.812 -6.138 -9.350 1.00 1.32 C ATOM 165 CD2 TYR A 10 -6.410 -4.449 -10.292 1.00 62.43 C ATOM 166 CE1 TYR A 10 -8.178 -5.271 -8.337 1.00 11.05 C ATOM 167 CE2 TYR A 10 -6.774 -3.579 -9.281 1.00 13.23 C ATOM 168 CZ TYR A 10 -7.657 -3.994 -8.307 1.00 61.13 C ATOM 169 OH TYR A 10 -8.020 -3.130 -7.298 1.00 4.32 O ATOM 0 H TYR A 10 -5.059 -7.689 -9.601 1.00 1.12 H new ATOM 0 HA TYR A 10 -7.507 -8.538 -10.945 1.00 34.02 H new ATOM 0 HB2 TYR A 10 -5.513 -6.412 -11.809 1.00 75.50 H new ATOM 0 HB3 TYR A 10 -7.188 -6.566 -12.299 1.00 75.50 H new ATOM 0 HD1 TYR A 10 -8.224 -7.136 -9.370 1.00 1.32 H new ATOM 0 HD2 TYR A 10 -5.719 -4.119 -11.053 1.00 62.43 H new ATOM 0 HE1 TYR A 10 -8.869 -5.592 -7.572 1.00 11.05 H new ATOM 0 HE2 TYR A 10 -6.368 -2.578 -9.254 1.00 13.23 H new ATOM 0 HH TYR A 10 -7.564 -2.272 -7.422 1.00 4.32 H new ATOM 179 N GLN A 11 -4.587 -8.603 -12.575 1.00 53.50 N ATOM 180 CA GLN A 11 -3.829 -9.282 -13.649 1.00 43.20 C ATOM 181 C GLN A 11 -4.650 -9.356 -14.952 1.00 71.05 C ATOM 182 O GLN A 11 -5.431 -10.285 -15.166 1.00 4.41 O ATOM 183 CB GLN A 11 -3.386 -10.682 -13.186 1.00 33.40 C ATOM 184 CG GLN A 11 -2.592 -10.657 -11.880 1.00 12.04 C ATOM 185 CD GLN A 11 -1.209 -10.037 -12.026 1.00 2.33 C ATOM 186 OE1 GLN A 11 -0.216 -10.733 -12.200 1.00 15.21 O ATOM 187 NE2 GLN A 11 -1.129 -8.724 -11.971 1.00 44.24 N ATOM 0 H GLN A 11 -4.098 -7.808 -12.164 1.00 53.50 H new ATOM 0 HA GLN A 11 -2.936 -8.694 -13.863 1.00 43.20 H new ATOM 0 HB2 GLN A 11 -4.267 -11.311 -13.057 1.00 33.40 H new ATOM 0 HB3 GLN A 11 -2.778 -11.141 -13.966 1.00 33.40 H new ATOM 0 HG2 GLN A 11 -3.155 -10.099 -11.132 1.00 12.04 H new ATOM 0 HG3 GLN A 11 -2.488 -11.676 -11.507 1.00 12.04 H new ATOM 0 HE21 GLN A 11 -1.971 -8.167 -11.825 1.00 44.24 H new ATOM 0 HE22 GLN A 11 -0.225 -8.263 -12.074 1.00 44.24 H new ATOM 196 N HIS A 12 -4.461 -8.368 -15.830 1.00 24.44 N ATOM 197 CA HIS A 12 -5.388 -8.150 -16.949 1.00 41.43 C ATOM 198 C HIS A 12 -4.709 -7.558 -18.206 1.00 62.42 C ATOM 199 O HIS A 12 -4.856 -8.099 -19.306 1.00 24.45 O ATOM 200 CB HIS A 12 -6.544 -7.247 -16.470 1.00 53.34 C ATOM 201 CG HIS A 12 -6.109 -6.065 -15.638 1.00 3.41 C ATOM 202 ND1 HIS A 12 -6.470 -4.765 -15.916 1.00 24.33 N ATOM 203 CD2 HIS A 12 -5.350 -6.000 -14.515 1.00 15.24 C ATOM 204 CE1 HIS A 12 -5.952 -3.960 -15.008 1.00 63.55 C ATOM 205 NE2 HIS A 12 -5.268 -4.684 -14.147 1.00 44.34 N ATOM 0 H HIS A 12 -3.682 -7.710 -15.791 1.00 24.44 H new ATOM 0 HA HIS A 12 -5.769 -9.124 -17.257 1.00 41.43 H new ATOM 0 HB2 HIS A 12 -7.088 -6.882 -17.341 1.00 53.34 H new ATOM 0 HB3 HIS A 12 -7.241 -7.849 -15.887 1.00 53.34 H new ATOM 0 HD2 HIS A 12 -4.893 -6.835 -14.004 1.00 15.24 H new ATOM 0 HE1 HIS A 12 -6.069 -2.887 -14.976 1.00 63.55 H new ATOM 0 HE2 HIS A 12 -4.761 -4.324 -13.339 1.00 44.34 H new ATOM 214 N LEU A 13 -3.984 -6.451 -18.050 1.00 24.11 N ATOM 215 CA LEU A 13 -3.342 -5.757 -19.186 1.00 63.13 C ATOM 216 C LEU A 13 -1.840 -5.564 -18.926 1.00 5.22 C ATOM 217 O LEU A 13 -1.208 -6.371 -18.245 1.00 23.44 O ATOM 218 CB LEU A 13 -3.998 -4.375 -19.425 1.00 34.31 C ATOM 219 CG LEU A 13 -5.371 -4.370 -20.132 1.00 2.12 C ATOM 220 CD1 LEU A 13 -6.471 -4.907 -19.226 1.00 31.24 C ATOM 221 CD2 LEU A 13 -5.719 -2.963 -20.619 1.00 3.33 C ATOM 0 H LEU A 13 -3.821 -6.007 -17.146 1.00 24.11 H new ATOM 0 HA LEU A 13 -3.477 -6.377 -20.072 1.00 63.13 H new ATOM 0 HB2 LEU A 13 -4.111 -3.881 -18.460 1.00 34.31 H new ATOM 0 HB3 LEU A 13 -3.310 -3.769 -20.015 1.00 34.31 H new ATOM 0 HG LEU A 13 -5.300 -5.033 -20.994 1.00 2.12 H new ATOM 0 HD11 LEU A 13 -7.422 -4.888 -19.758 1.00 31.24 H new ATOM 0 HD12 LEU A 13 -6.237 -5.932 -18.938 1.00 31.24 H new ATOM 0 HD13 LEU A 13 -6.542 -4.286 -18.333 1.00 31.24 H new ATOM 0 HD21 LEU A 13 -6.690 -2.979 -21.115 1.00 3.33 H new ATOM 0 HD22 LEU A 13 -5.757 -2.283 -19.768 1.00 3.33 H new ATOM 0 HD23 LEU A 13 -4.958 -2.623 -21.322 1.00 3.33 H new ATOM 233 N ARG A 14 -1.259 -4.519 -19.518 1.00 71.40 N ATOM 234 CA ARG A 14 0.076 -4.058 -19.117 1.00 15.34 C ATOM 235 C ARG A 14 0.064 -3.583 -17.653 1.00 21.12 C ATOM 236 O ARG A 14 -0.010 -2.384 -17.368 1.00 73.44 O ATOM 237 CB ARG A 14 0.569 -2.932 -20.042 1.00 13.23 C ATOM 238 CG ARG A 14 -0.502 -1.895 -20.401 1.00 14.54 C ATOM 239 CD ARG A 14 0.012 -0.461 -20.280 1.00 41.15 C ATOM 240 NE ARG A 14 -0.047 0.026 -18.900 1.00 70.55 N ATOM 241 CZ ARG A 14 0.829 0.826 -18.355 1.00 64.23 C ATOM 242 NH1 ARG A 14 1.925 1.131 -18.971 1.00 34.25 N ATOM 243 NH2 ARG A 14 0.613 1.298 -17.171 1.00 72.31 N ATOM 0 H ARG A 14 -1.685 -3.978 -20.271 1.00 71.40 H new ATOM 0 HA ARG A 14 0.765 -4.898 -19.206 1.00 15.34 H new ATOM 0 HB2 ARG A 14 1.404 -2.423 -19.561 1.00 13.23 H new ATOM 0 HB3 ARG A 14 0.952 -3.375 -20.962 1.00 13.23 H new ATOM 0 HG2 ARG A 14 -0.846 -2.070 -21.420 1.00 14.54 H new ATOM 0 HG3 ARG A 14 -1.364 -2.026 -19.747 1.00 14.54 H new ATOM 0 HD2 ARG A 14 1.040 -0.413 -20.638 1.00 41.15 H new ATOM 0 HD3 ARG A 14 -0.580 0.192 -20.921 1.00 41.15 H new ATOM 0 HE ARG A 14 -0.829 -0.282 -18.323 1.00 70.55 H new ATOM 0 HH11 ARG A 14 2.115 0.745 -19.896 1.00 34.25 H new ATOM 0 HH12 ARG A 14 2.600 1.758 -18.532 1.00 34.25 H new ATOM 0 HH21 ARG A 14 -0.238 1.045 -16.668 1.00 72.31 H new ATOM 0 HH22 ARG A 14 1.293 1.924 -16.739 1.00 72.31 H new ATOM 257 N ASP A 15 0.110 -4.538 -16.735 1.00 2.32 N ATOM 258 CA ASP A 15 0.007 -4.255 -15.304 1.00 52.54 C ATOM 259 C ASP A 15 1.365 -3.807 -14.711 1.00 11.33 C ATOM 260 O ASP A 15 2.294 -4.605 -14.590 1.00 55.41 O ATOM 261 CB ASP A 15 -0.516 -5.506 -14.586 1.00 40.13 C ATOM 262 CG ASP A 15 -1.753 -6.096 -15.258 1.00 65.12 C ATOM 263 OD1 ASP A 15 -2.657 -5.322 -15.653 1.00 34.24 O ATOM 264 OD2 ASP A 15 -1.832 -7.334 -15.394 1.00 34.30 O ATOM 0 H ASP A 15 0.219 -5.528 -16.956 1.00 2.32 H new ATOM 0 HA ASP A 15 -0.689 -3.429 -15.158 1.00 52.54 H new ATOM 0 HB2 ASP A 15 0.271 -6.259 -14.557 1.00 40.13 H new ATOM 0 HB3 ASP A 15 -0.754 -5.254 -13.553 1.00 40.13 H new ATOM 269 N PRO A 16 1.498 -2.518 -14.320 1.00 50.41 N ATOM 270 CA PRO A 16 2.778 -1.951 -13.863 1.00 21.22 C ATOM 271 C PRO A 16 3.188 -2.428 -12.455 1.00 33.44 C ATOM 272 O PRO A 16 3.962 -3.378 -12.314 1.00 43.11 O ATOM 273 CB PRO A 16 2.539 -0.426 -13.888 1.00 70.22 C ATOM 274 CG PRO A 16 1.174 -0.231 -14.479 1.00 34.13 C ATOM 275 CD PRO A 16 0.426 -1.521 -14.280 1.00 32.01 C ATOM 0 HA PRO A 16 3.602 -2.270 -14.501 1.00 21.22 H new ATOM 0 HB2 PRO A 16 2.593 -0.006 -12.884 1.00 70.22 H new ATOM 0 HB3 PRO A 16 3.299 0.078 -14.485 1.00 70.22 H new ATOM 0 HG2 PRO A 16 0.656 0.595 -13.992 1.00 34.13 H new ATOM 0 HG3 PRO A 16 1.243 0.016 -15.538 1.00 34.13 H new ATOM 0 HD2 PRO A 16 -0.109 -1.538 -13.330 1.00 32.01 H new ATOM 0 HD3 PRO A 16 -0.312 -1.687 -15.064 1.00 32.01 H new ATOM 283 N SER A 17 2.647 -1.784 -11.415 1.00 72.51 N ATOM 284 CA SER A 17 2.982 -2.129 -10.021 1.00 73.31 C ATOM 285 C SER A 17 2.657 -3.595 -9.714 1.00 20.22 C ATOM 286 O SER A 17 3.323 -4.237 -8.903 1.00 3.55 O ATOM 287 CB SER A 17 2.223 -1.216 -9.047 1.00 13.34 C ATOM 288 OG SER A 17 2.495 0.153 -9.308 1.00 25.21 O ATOM 0 H SER A 17 1.976 -1.022 -11.508 1.00 72.51 H new ATOM 0 HA SER A 17 4.055 -1.982 -9.894 1.00 73.31 H new ATOM 0 HB2 SER A 17 1.152 -1.399 -9.132 1.00 13.34 H new ATOM 0 HB3 SER A 17 2.507 -1.457 -8.023 1.00 13.34 H new ATOM 0 HG SER A 17 1.998 0.712 -8.675 1.00 25.21 H new ATOM 294 N GLU A 18 1.637 -4.120 -10.386 1.00 22.03 N ATOM 295 CA GLU A 18 1.223 -5.516 -10.219 1.00 10.33 C ATOM 296 C GLU A 18 2.384 -6.493 -10.508 1.00 15.14 C ATOM 297 O GLU A 18 2.589 -7.470 -9.778 1.00 51.31 O ATOM 298 CB GLU A 18 0.022 -5.812 -11.135 1.00 71.35 C ATOM 299 CG GLU A 18 -1.205 -4.939 -10.844 1.00 64.44 C ATOM 300 CD GLU A 18 -2.409 -5.261 -11.727 1.00 51.51 C ATOM 301 OE1 GLU A 18 -2.836 -6.436 -11.750 1.00 3.33 O ATOM 302 OE2 GLU A 18 -2.939 -4.336 -12.390 1.00 41.02 O ATOM 0 H GLU A 18 1.075 -3.597 -11.058 1.00 22.03 H new ATOM 0 HA GLU A 18 0.929 -5.664 -9.180 1.00 10.33 H new ATOM 0 HB2 GLU A 18 0.323 -5.666 -12.172 1.00 71.35 H new ATOM 0 HB3 GLU A 18 -0.256 -6.861 -11.028 1.00 71.35 H new ATOM 0 HG2 GLU A 18 -1.488 -5.062 -9.799 1.00 64.44 H new ATOM 0 HG3 GLU A 18 -0.935 -3.892 -10.980 1.00 64.44 H new ATOM 309 N TYR A 19 3.147 -6.221 -11.569 1.00 42.30 N ATOM 310 CA TYR A 19 4.309 -7.055 -11.921 1.00 52.11 C ATOM 311 C TYR A 19 5.573 -6.608 -11.154 1.00 15.01 C ATOM 312 O TYR A 19 6.378 -7.437 -10.700 1.00 70.55 O ATOM 313 CB TYR A 19 4.564 -7.018 -13.436 1.00 41.42 C ATOM 314 CG TYR A 19 3.412 -7.544 -14.285 1.00 41.52 C ATOM 315 CD1 TYR A 19 2.356 -8.256 -13.718 1.00 54.53 C ATOM 316 CD2 TYR A 19 3.384 -7.324 -15.659 1.00 13.00 C ATOM 317 CE1 TYR A 19 1.313 -8.728 -14.494 1.00 43.13 C ATOM 318 CE2 TYR A 19 2.345 -7.794 -16.439 1.00 1.42 C ATOM 319 CZ TYR A 19 1.312 -8.494 -15.853 1.00 61.35 C ATOM 320 OH TYR A 19 0.273 -8.959 -16.629 1.00 10.40 O ATOM 0 H TYR A 19 2.986 -5.435 -12.199 1.00 42.30 H new ATOM 0 HA TYR A 19 4.081 -8.080 -11.629 1.00 52.11 H new ATOM 0 HB2 TYR A 19 4.776 -5.990 -13.731 1.00 41.42 H new ATOM 0 HB3 TYR A 19 5.457 -7.603 -13.656 1.00 41.42 H new ATOM 0 HD1 TYR A 19 2.352 -8.442 -12.654 1.00 54.53 H new ATOM 0 HD2 TYR A 19 4.190 -6.776 -16.124 1.00 13.00 H new ATOM 0 HE1 TYR A 19 0.503 -9.277 -14.038 1.00 43.13 H new ATOM 0 HE2 TYR A 19 2.342 -7.614 -17.504 1.00 1.42 H new ATOM 0 HH TYR A 19 -0.560 -8.518 -16.359 1.00 10.40 H new ATOM 330 N MET A 20 5.730 -5.292 -10.988 1.00 24.14 N ATOM 331 CA MET A 20 6.854 -4.733 -10.223 1.00 45.32 C ATOM 332 C MET A 20 6.942 -5.356 -8.818 1.00 31.32 C ATOM 333 O MET A 20 8.035 -5.571 -8.295 1.00 64.01 O ATOM 334 CB MET A 20 6.725 -3.205 -10.121 1.00 61.23 C ATOM 335 CG MET A 20 6.853 -2.485 -11.460 1.00 74.12 C ATOM 336 SD MET A 20 6.533 -0.712 -11.341 1.00 23.30 S ATOM 337 CE MET A 20 6.753 -0.216 -13.051 1.00 53.24 C ATOM 0 H MET A 20 5.095 -4.592 -11.372 1.00 24.14 H new ATOM 0 HA MET A 20 7.773 -4.976 -10.756 1.00 45.32 H new ATOM 0 HB2 MET A 20 5.760 -2.960 -9.678 1.00 61.23 H new ATOM 0 HB3 MET A 20 7.491 -2.830 -9.443 1.00 61.23 H new ATOM 0 HG2 MET A 20 7.856 -2.642 -11.856 1.00 74.12 H new ATOM 0 HG3 MET A 20 6.156 -2.927 -12.172 1.00 74.12 H new ATOM 0 HE1 MET A 20 6.588 0.858 -13.143 1.00 53.24 H new ATOM 0 HE2 MET A 20 7.767 -0.456 -13.372 1.00 53.24 H new ATOM 0 HE3 MET A 20 6.038 -0.748 -13.679 1.00 53.24 H new ATOM 347 N SER A 21 5.787 -5.638 -8.211 1.00 53.03 N ATOM 348 CA SER A 21 5.745 -6.334 -6.915 1.00 31.22 C ATOM 349 C SER A 21 5.311 -7.802 -7.057 1.00 1.53 C ATOM 350 O SER A 21 5.218 -8.523 -6.065 1.00 52.22 O ATOM 351 CB SER A 21 4.829 -5.604 -5.933 1.00 35.10 C ATOM 352 OG SER A 21 5.366 -4.338 -5.575 1.00 41.03 O ATOM 0 H SER A 21 4.871 -5.398 -8.590 1.00 53.03 H new ATOM 0 HA SER A 21 6.761 -6.329 -6.521 1.00 31.22 H new ATOM 0 HB2 SER A 21 3.844 -5.471 -6.380 1.00 35.10 H new ATOM 0 HB3 SER A 21 4.693 -6.211 -5.038 1.00 35.10 H new ATOM 0 HG SER A 21 4.821 -3.627 -5.972 1.00 41.03 H new ATOM 358 N GLN A 22 4.999 -8.231 -8.286 1.00 31.54 N ATOM 359 CA GLN A 22 4.939 -9.666 -8.606 1.00 20.14 C ATOM 360 C GLN A 22 6.219 -10.350 -8.121 1.00 63.44 C ATOM 361 O GLN A 22 6.175 -11.366 -7.425 1.00 45.43 O ATOM 362 CB GLN A 22 4.787 -9.855 -10.125 1.00 33.21 C ATOM 363 CG GLN A 22 5.130 -11.247 -10.659 1.00 52.24 C ATOM 364 CD GLN A 22 3.970 -12.223 -10.625 1.00 41.23 C ATOM 365 OE1 GLN A 22 3.109 -12.168 -9.752 1.00 73.35 O ATOM 366 NE2 GLN A 22 3.921 -13.104 -11.598 1.00 50.11 N ATOM 0 H GLN A 22 4.786 -7.614 -9.069 1.00 31.54 H new ATOM 0 HA GLN A 22 4.080 -10.113 -8.106 1.00 20.14 H new ATOM 0 HB2 GLN A 22 3.758 -9.624 -10.400 1.00 33.21 H new ATOM 0 HB3 GLN A 22 5.422 -9.126 -10.628 1.00 33.21 H new ATOM 0 HG2 GLN A 22 5.484 -11.154 -11.686 1.00 52.24 H new ATOM 0 HG3 GLN A 22 5.954 -11.657 -10.074 1.00 52.24 H new ATOM 0 HE21 GLN A 22 4.654 -13.122 -12.307 1.00 50.11 H new ATOM 0 HE22 GLN A 22 3.150 -13.770 -11.644 1.00 50.11 H new ATOM 375 N VAL A 23 7.359 -9.765 -8.490 1.00 52.53 N ATOM 376 CA VAL A 23 8.661 -10.271 -8.039 1.00 45.14 C ATOM 377 C VAL A 23 9.709 -9.149 -7.921 1.00 42.13 C ATOM 378 O VAL A 23 9.795 -8.259 -8.771 1.00 35.21 O ATOM 379 CB VAL A 23 9.186 -11.386 -8.978 1.00 13.34 C ATOM 380 CG1 VAL A 23 9.258 -10.891 -10.416 1.00 13.14 C ATOM 381 CG2 VAL A 23 10.544 -11.912 -8.507 1.00 42.33 C ATOM 0 H VAL A 23 7.410 -8.946 -9.096 1.00 52.53 H new ATOM 0 HA VAL A 23 8.504 -10.691 -7.046 1.00 45.14 H new ATOM 0 HB VAL A 23 8.481 -12.216 -8.942 1.00 13.34 H new ATOM 0 HG11 VAL A 23 9.629 -11.690 -11.058 1.00 13.14 H new ATOM 0 HG12 VAL A 23 8.264 -10.591 -10.748 1.00 13.14 H new ATOM 0 HG13 VAL A 23 9.933 -10.037 -10.473 1.00 13.14 H new ATOM 0 HG21 VAL A 23 10.887 -12.693 -9.185 1.00 42.33 H new ATOM 0 HG22 VAL A 23 11.267 -11.096 -8.498 1.00 42.33 H new ATOM 0 HG23 VAL A 23 10.447 -12.322 -7.502 1.00 42.33 H new ATOM 391 N TYR A 24 10.520 -9.221 -6.864 1.00 31.03 N ATOM 392 CA TYR A 24 11.553 -8.212 -6.572 1.00 20.31 C ATOM 393 C TYR A 24 12.782 -8.339 -7.508 1.00 35.23 C ATOM 394 O TYR A 24 13.930 -8.226 -7.078 1.00 33.25 O ATOM 395 CB TYR A 24 11.968 -8.356 -5.094 1.00 32.02 C ATOM 396 CG TYR A 24 12.882 -7.254 -4.575 1.00 22.45 C ATOM 397 CD1 TYR A 24 12.424 -5.947 -4.444 1.00 74.40 C ATOM 398 CD2 TYR A 24 14.201 -7.524 -4.215 1.00 62.34 C ATOM 399 CE1 TYR A 24 13.251 -4.945 -3.970 1.00 61.42 C ATOM 400 CE2 TYR A 24 15.031 -6.526 -3.740 1.00 64.23 C ATOM 401 CZ TYR A 24 14.552 -5.239 -3.621 1.00 25.43 C ATOM 402 OH TYR A 24 15.377 -4.240 -3.145 1.00 33.10 O ATOM 0 H TYR A 24 10.483 -9.979 -6.183 1.00 31.03 H new ATOM 0 HA TYR A 24 11.137 -7.221 -6.752 1.00 20.31 H new ATOM 0 HB2 TYR A 24 11.068 -8.381 -4.480 1.00 32.02 H new ATOM 0 HB3 TYR A 24 12.469 -9.315 -4.964 1.00 32.02 H new ATOM 0 HD1 TYR A 24 11.406 -5.711 -4.717 1.00 74.40 H new ATOM 0 HD2 TYR A 24 14.581 -8.530 -4.309 1.00 62.34 H new ATOM 0 HE1 TYR A 24 12.879 -3.936 -3.874 1.00 61.42 H new ATOM 0 HE2 TYR A 24 16.050 -6.754 -3.463 1.00 64.23 H new ATOM 0 HH TYR A 24 16.261 -4.613 -2.944 1.00 33.10 H new ATOM 412 N GLY A 25 12.535 -8.560 -8.797 1.00 70.34 N ATOM 413 CA GLY A 25 13.622 -8.622 -9.772 1.00 31.14 C ATOM 414 C GLY A 25 13.945 -7.255 -10.366 1.00 41.42 C ATOM 415 O GLY A 25 15.093 -6.974 -10.704 1.00 60.33 O ATOM 0 H GLY A 25 11.603 -8.698 -9.188 1.00 70.34 H new ATOM 0 HA2 GLY A 25 14.513 -9.028 -9.294 1.00 31.14 H new ATOM 0 HA3 GLY A 25 13.350 -9.309 -10.573 1.00 31.14 H new ATOM 419 N ASP A 26 12.907 -6.419 -10.464 1.00 12.52 N ATOM 420 CA ASP A 26 12.975 -5.051 -11.018 1.00 21.23 C ATOM 421 C ASP A 26 12.945 -5.016 -12.584 1.00 34.54 C ATOM 422 O ASP A 26 11.847 -5.011 -13.147 1.00 75.11 O ATOM 423 CB ASP A 26 14.130 -4.227 -10.410 1.00 54.42 C ATOM 424 CG ASP A 26 13.960 -3.966 -8.922 1.00 41.41 C ATOM 425 OD1 ASP A 26 12.902 -3.441 -8.522 1.00 43.02 O ATOM 426 OD2 ASP A 26 14.901 -4.247 -8.150 1.00 22.02 O ATOM 0 H ASP A 26 11.970 -6.675 -10.154 1.00 12.52 H new ATOM 0 HA ASP A 26 12.056 -4.554 -10.708 1.00 21.23 H new ATOM 0 HB2 ASP A 26 15.070 -4.754 -10.575 1.00 54.42 H new ATOM 0 HB3 ASP A 26 14.203 -3.274 -10.934 1.00 54.42 H new ATOM 431 N PRO A 27 14.086 -5.022 -13.348 1.00 11.54 N ATOM 432 CA PRO A 27 14.015 -4.844 -14.806 1.00 42.14 C ATOM 433 C PRO A 27 13.726 -6.154 -15.573 1.00 12.12 C ATOM 434 O PRO A 27 12.708 -6.265 -16.257 1.00 22.33 O ATOM 435 CB PRO A 27 15.404 -4.291 -15.141 1.00 1.40 C ATOM 436 CG PRO A 27 16.318 -4.927 -14.145 1.00 73.24 C ATOM 437 CD PRO A 27 15.489 -5.218 -12.910 1.00 3.35 C ATOM 0 HA PRO A 27 13.193 -4.193 -15.102 1.00 42.14 H new ATOM 0 HB2 PRO A 27 15.694 -4.542 -16.161 1.00 1.40 H new ATOM 0 HB3 PRO A 27 15.427 -3.204 -15.061 1.00 1.40 H new ATOM 0 HG2 PRO A 27 16.748 -5.845 -14.546 1.00 73.24 H new ATOM 0 HG3 PRO A 27 17.149 -4.264 -13.905 1.00 73.24 H new ATOM 0 HD2 PRO A 27 15.654 -6.234 -12.552 1.00 3.35 H new ATOM 0 HD3 PRO A 27 15.747 -4.546 -12.092 1.00 3.35 H new ATOM 445 N LEU A 28 14.613 -7.148 -15.439 1.00 51.45 N ATOM 446 CA LEU A 28 14.491 -8.422 -16.169 1.00 64.23 C ATOM 447 C LEU A 28 13.107 -9.062 -15.974 1.00 73.05 C ATOM 448 O LEU A 28 12.464 -9.488 -16.932 1.00 54.51 O ATOM 449 CB LEU A 28 15.582 -9.401 -15.704 1.00 15.02 C ATOM 450 CG LEU A 28 17.029 -8.920 -15.893 1.00 13.32 C ATOM 451 CD1 LEU A 28 18.013 -9.942 -15.325 1.00 65.21 C ATOM 452 CD2 LEU A 28 17.319 -8.654 -17.370 1.00 23.15 C ATOM 0 H LEU A 28 15.429 -7.096 -14.829 1.00 51.45 H new ATOM 0 HA LEU A 28 14.615 -8.206 -17.230 1.00 64.23 H new ATOM 0 HB2 LEU A 28 15.425 -9.617 -14.647 1.00 15.02 H new ATOM 0 HB3 LEU A 28 15.457 -10.340 -16.243 1.00 15.02 H new ATOM 0 HG LEU A 28 17.154 -7.985 -15.347 1.00 13.32 H new ATOM 0 HD11 LEU A 28 19.033 -9.584 -15.468 1.00 65.21 H new ATOM 0 HD12 LEU A 28 17.822 -10.078 -14.260 1.00 65.21 H new ATOM 0 HD13 LEU A 28 17.887 -10.894 -15.841 1.00 65.21 H new ATOM 0 HD21 LEU A 28 18.348 -8.314 -17.483 1.00 23.15 H new ATOM 0 HD22 LEU A 28 17.175 -9.572 -17.940 1.00 23.15 H new ATOM 0 HD23 LEU A 28 16.641 -7.886 -17.741 1.00 23.15 H new ATOM 464 N ALA A 29 12.660 -9.120 -14.726 1.00 41.23 N ATOM 465 CA ALA A 29 11.363 -9.713 -14.391 1.00 52.15 C ATOM 466 C ALA A 29 10.199 -8.990 -15.088 1.00 1.23 C ATOM 467 O ALA A 29 9.639 -9.490 -16.064 1.00 62.32 O ATOM 468 CB ALA A 29 11.177 -9.701 -12.880 1.00 4.33 C ATOM 0 H ALA A 29 13.177 -8.763 -13.922 1.00 41.23 H new ATOM 0 HA ALA A 29 11.356 -10.741 -14.753 1.00 52.15 H new ATOM 0 HB1 ALA A 29 10.212 -10.142 -12.629 1.00 4.33 H new ATOM 0 HB2 ALA A 29 11.973 -10.279 -12.411 1.00 4.33 H new ATOM 0 HB3 ALA A 29 11.212 -8.674 -12.517 1.00 4.33 H new ATOM 474 N TYR A 30 9.853 -7.813 -14.567 1.00 1.52 N ATOM 475 CA TYR A 30 8.791 -6.965 -15.133 1.00 23.43 C ATOM 476 C TYR A 30 8.824 -6.913 -16.672 1.00 12.21 C ATOM 477 O TYR A 30 7.811 -7.161 -17.322 1.00 52.21 O ATOM 478 CB TYR A 30 8.904 -5.540 -14.565 1.00 55.15 C ATOM 479 CG TYR A 30 7.947 -4.541 -15.200 1.00 20.40 C ATOM 480 CD1 TYR A 30 6.596 -4.534 -14.872 1.00 53.03 C ATOM 481 CD2 TYR A 30 8.396 -3.614 -16.139 1.00 2.53 C ATOM 482 CE1 TYR A 30 5.723 -3.636 -15.457 1.00 72.32 C ATOM 483 CE2 TYR A 30 7.527 -2.716 -16.729 1.00 34.14 C ATOM 484 CZ TYR A 30 6.194 -2.731 -16.385 1.00 53.41 C ATOM 485 OH TYR A 30 5.324 -1.840 -16.976 1.00 74.12 O ATOM 0 H TYR A 30 10.298 -7.416 -13.740 1.00 1.52 H new ATOM 0 HA TYR A 30 7.839 -7.413 -14.847 1.00 23.43 H new ATOM 0 HB2 TYR A 30 8.719 -5.572 -13.491 1.00 55.15 H new ATOM 0 HB3 TYR A 30 9.926 -5.186 -14.702 1.00 55.15 H new ATOM 0 HD1 TYR A 30 6.222 -5.242 -14.148 1.00 53.03 H new ATOM 0 HD2 TYR A 30 9.441 -3.597 -16.410 1.00 2.53 H new ATOM 0 HE1 TYR A 30 4.677 -3.643 -15.189 1.00 72.32 H new ATOM 0 HE2 TYR A 30 7.892 -2.006 -17.456 1.00 34.14 H new ATOM 0 HH TYR A 30 5.815 -1.271 -17.605 1.00 74.12 H new ATOM 495 N LEU A 31 9.985 -6.597 -17.247 1.00 62.13 N ATOM 496 CA LEU A 31 10.106 -6.423 -18.702 1.00 5.04 C ATOM 497 C LEU A 31 9.664 -7.690 -19.462 1.00 65.25 C ATOM 498 O LEU A 31 8.713 -7.650 -20.250 1.00 64.41 O ATOM 499 CB LEU A 31 11.555 -6.042 -19.072 1.00 3.33 C ATOM 500 CG LEU A 31 11.769 -5.392 -20.458 1.00 43.31 C ATOM 501 CD1 LEU A 31 11.597 -6.398 -21.595 1.00 25.23 C ATOM 502 CD2 LEU A 31 10.827 -4.204 -20.646 1.00 32.42 C ATOM 0 H LEU A 31 10.855 -6.456 -16.733 1.00 62.13 H new ATOM 0 HA LEU A 31 9.440 -5.614 -19.002 1.00 5.04 H new ATOM 0 HB2 LEU A 31 11.931 -5.356 -18.313 1.00 3.33 H new ATOM 0 HB3 LEU A 31 12.167 -6.942 -19.020 1.00 3.33 H new ATOM 0 HG LEU A 31 12.798 -5.035 -20.493 1.00 43.31 H new ATOM 0 HD11 LEU A 31 11.756 -5.898 -22.550 1.00 25.23 H new ATOM 0 HD12 LEU A 31 12.323 -7.203 -21.481 1.00 25.23 H new ATOM 0 HD13 LEU A 31 10.589 -6.812 -21.566 1.00 25.23 H new ATOM 0 HD21 LEU A 31 10.993 -3.760 -21.628 1.00 32.42 H new ATOM 0 HD22 LEU A 31 9.794 -4.543 -20.571 1.00 32.42 H new ATOM 0 HD23 LEU A 31 11.021 -3.460 -19.874 1.00 32.42 H new ATOM 514 N GLN A 32 10.346 -8.808 -19.225 1.00 50.25 N ATOM 515 CA GLN A 32 10.038 -10.058 -19.928 1.00 70.41 C ATOM 516 C GLN A 32 8.625 -10.577 -19.606 1.00 12.44 C ATOM 517 O GLN A 32 7.966 -11.164 -20.467 1.00 51.02 O ATOM 518 CB GLN A 32 11.097 -11.129 -19.616 1.00 22.24 C ATOM 519 CG GLN A 32 12.326 -11.070 -20.528 1.00 2.02 C ATOM 520 CD GLN A 32 13.061 -9.735 -20.494 1.00 74.45 C ATOM 521 OE1 GLN A 32 13.097 -9.044 -19.483 1.00 23.01 O ATOM 522 NE2 GLN A 32 13.656 -9.360 -21.609 1.00 64.23 N ATOM 0 H GLN A 32 11.112 -8.878 -18.556 1.00 50.25 H new ATOM 0 HA GLN A 32 10.061 -9.841 -20.996 1.00 70.41 H new ATOM 0 HB2 GLN A 32 11.419 -11.017 -18.581 1.00 22.24 H new ATOM 0 HB3 GLN A 32 10.639 -12.115 -19.702 1.00 22.24 H new ATOM 0 HG2 GLN A 32 13.018 -11.861 -20.239 1.00 2.02 H new ATOM 0 HG3 GLN A 32 12.016 -11.276 -21.552 1.00 2.02 H new ATOM 0 HE21 GLN A 32 13.610 -9.955 -22.436 1.00 64.23 H new ATOM 0 HE22 GLN A 32 14.162 -8.475 -21.644 1.00 64.23 H new ATOM 531 N GLU A 33 8.151 -10.348 -18.383 1.00 54.31 N ATOM 532 CA GLU A 33 6.810 -10.800 -17.989 1.00 35.20 C ATOM 533 C GLU A 33 5.704 -9.996 -18.701 1.00 40.12 C ATOM 534 O GLU A 33 4.842 -10.572 -19.362 1.00 73.53 O ATOM 535 CB GLU A 33 6.629 -10.723 -16.467 1.00 41.04 C ATOM 536 CG GLU A 33 5.267 -11.225 -15.991 1.00 33.41 C ATOM 537 CD GLU A 33 5.202 -11.426 -14.485 1.00 65.30 C ATOM 538 OE1 GLU A 33 4.876 -10.460 -13.766 1.00 73.54 O ATOM 539 OE2 GLU A 33 5.475 -12.559 -14.023 1.00 33.10 O ATOM 0 H GLU A 33 8.666 -9.858 -17.652 1.00 54.31 H new ATOM 0 HA GLU A 33 6.718 -11.841 -18.299 1.00 35.20 H new ATOM 0 HB2 GLU A 33 7.412 -11.309 -15.986 1.00 41.04 H new ATOM 0 HB3 GLU A 33 6.760 -9.690 -16.145 1.00 41.04 H new ATOM 0 HG2 GLU A 33 4.498 -10.513 -16.291 1.00 33.41 H new ATOM 0 HG3 GLU A 33 5.039 -12.168 -16.488 1.00 33.41 H new ATOM 546 N THR A 34 5.743 -8.664 -18.588 1.00 61.11 N ATOM 547 CA THR A 34 4.717 -7.808 -19.218 1.00 54.14 C ATOM 548 C THR A 34 4.761 -7.895 -20.752 1.00 53.11 C ATOM 549 O THR A 34 3.764 -7.637 -21.429 1.00 41.32 O ATOM 550 CB THR A 34 4.843 -6.314 -18.807 1.00 23.40 C ATOM 551 OG1 THR A 34 3.720 -5.569 -19.310 1.00 63.04 O ATOM 552 CG2 THR A 34 6.130 -5.691 -19.342 1.00 62.05 C ATOM 0 H THR A 34 6.462 -8.155 -18.074 1.00 61.11 H new ATOM 0 HA THR A 34 3.764 -8.193 -18.854 1.00 54.14 H new ATOM 0 HB THR A 34 4.864 -6.274 -17.718 1.00 23.40 H new ATOM 0 HG1 THR A 34 3.806 -4.629 -19.046 1.00 63.04 H new ATOM 0 HG21 THR A 34 6.184 -4.647 -19.035 1.00 62.05 H new ATOM 0 HG22 THR A 34 6.989 -6.231 -18.943 1.00 62.05 H new ATOM 0 HG23 THR A 34 6.138 -5.750 -20.430 1.00 62.05 H new ATOM 560 N THR A 35 5.924 -8.255 -21.295 1.00 21.34 N ATOM 561 CA THR A 35 6.103 -8.367 -22.751 1.00 31.43 C ATOM 562 C THR A 35 5.754 -9.773 -23.268 1.00 22.45 C ATOM 563 O THR A 35 4.821 -9.939 -24.055 1.00 34.35 O ATOM 564 CB THR A 35 7.556 -8.019 -23.168 1.00 64.31 C ATOM 565 OG1 THR A 35 7.878 -6.685 -22.750 1.00 72.51 O ATOM 566 CG2 THR A 35 7.754 -8.137 -24.678 1.00 14.12 C ATOM 0 H THR A 35 6.759 -8.475 -20.752 1.00 21.34 H new ATOM 0 HA THR A 35 5.416 -7.650 -23.200 1.00 31.43 H new ATOM 0 HB THR A 35 8.219 -8.734 -22.681 1.00 64.31 H new ATOM 0 HG1 THR A 35 8.223 -6.704 -21.833 1.00 72.51 H new ATOM 0 HG21 THR A 35 8.784 -7.885 -24.931 1.00 14.12 H new ATOM 0 HG22 THR A 35 7.542 -9.158 -24.994 1.00 14.12 H new ATOM 0 HG23 THR A 35 7.077 -7.451 -25.188 1.00 14.12 H new ATOM 574 N LYS A 36 6.500 -10.782 -22.815 1.00 71.44 N ATOM 575 CA LYS A 36 6.337 -12.160 -23.309 1.00 43.31 C ATOM 576 C LYS A 36 5.165 -12.878 -22.619 1.00 44.21 C ATOM 577 O LYS A 36 4.358 -13.531 -23.277 1.00 2.35 O ATOM 578 CB LYS A 36 7.639 -12.946 -23.098 1.00 42.03 C ATOM 579 CG LYS A 36 8.871 -12.259 -23.681 1.00 62.34 C ATOM 580 CD LYS A 36 8.746 -12.045 -25.190 1.00 40.03 C ATOM 581 CE LYS A 36 9.993 -11.391 -25.776 1.00 64.13 C ATOM 582 NZ LYS A 36 9.890 -11.209 -27.248 1.00 24.15 N ATOM 0 H LYS A 36 7.225 -10.676 -22.106 1.00 71.44 H new ATOM 0 HA LYS A 36 6.110 -12.110 -24.374 1.00 43.31 H new ATOM 0 HB2 LYS A 36 7.791 -13.100 -22.030 1.00 42.03 H new ATOM 0 HB3 LYS A 36 7.535 -13.932 -23.551 1.00 42.03 H new ATOM 0 HG2 LYS A 36 9.017 -11.297 -23.189 1.00 62.34 H new ATOM 0 HG3 LYS A 36 9.755 -12.861 -23.472 1.00 62.34 H new ATOM 0 HD2 LYS A 36 8.574 -13.004 -25.680 1.00 40.03 H new ATOM 0 HD3 LYS A 36 7.877 -11.421 -25.398 1.00 40.03 H new ATOM 0 HE2 LYS A 36 10.151 -10.422 -25.302 1.00 64.13 H new ATOM 0 HE3 LYS A 36 10.865 -12.004 -25.547 1.00 64.13 H new ATOM 0 HZ1 LYS A 36 10.759 -10.762 -27.604 1.00 24.15 H new ATOM 0 HZ2 LYS A 36 9.765 -12.135 -27.704 1.00 24.15 H new ATOM 0 HZ3 LYS A 36 9.074 -10.603 -27.467 1.00 24.15 H new ATOM 596 N PHE A 37 5.100 -12.756 -21.291 1.00 43.24 N ATOM 597 CA PHE A 37 3.990 -13.298 -20.490 1.00 72.34 C ATOM 598 C PHE A 37 3.959 -14.844 -20.452 1.00 1.01 C ATOM 599 O PHE A 37 3.595 -15.496 -21.426 1.00 73.40 O ATOM 600 CB PHE A 37 2.643 -12.741 -20.990 1.00 23.31 C ATOM 601 CG PHE A 37 1.476 -13.065 -20.089 1.00 41.31 C ATOM 602 CD1 PHE A 37 1.363 -12.468 -18.840 1.00 72.21 C ATOM 603 CD2 PHE A 37 0.492 -13.960 -20.489 1.00 42.24 C ATOM 604 CE1 PHE A 37 0.297 -12.757 -18.011 1.00 62.32 C ATOM 605 CE2 PHE A 37 -0.576 -14.252 -19.661 1.00 2.32 C ATOM 606 CZ PHE A 37 -0.673 -13.650 -18.421 1.00 23.32 C ATOM 0 H PHE A 37 5.812 -12.280 -20.737 1.00 43.24 H new ATOM 0 HA PHE A 37 4.160 -12.970 -19.465 1.00 72.34 H new ATOM 0 HB2 PHE A 37 2.723 -11.659 -21.090 1.00 23.31 H new ATOM 0 HB3 PHE A 37 2.443 -13.139 -21.985 1.00 23.31 H new ATOM 0 HD1 PHE A 37 2.118 -11.769 -18.513 1.00 72.21 H new ATOM 0 HD2 PHE A 37 0.562 -14.433 -21.457 1.00 42.24 H new ATOM 0 HE1 PHE A 37 0.222 -12.285 -17.043 1.00 62.32 H new ATOM 0 HE2 PHE A 37 -1.334 -14.950 -19.983 1.00 2.32 H new ATOM 0 HZ PHE A 37 -1.507 -13.878 -17.773 1.00 23.32 H new ATOM 616 N VAL A 38 4.363 -15.389 -19.295 1.00 60.03 N ATOM 617 CA VAL A 38 4.235 -16.821 -18.914 1.00 52.34 C ATOM 618 C VAL A 38 4.839 -17.865 -19.891 1.00 45.04 C ATOM 619 O VAL A 38 5.793 -18.556 -19.531 1.00 73.42 O ATOM 620 CB VAL A 38 2.763 -17.214 -18.559 1.00 10.31 C ATOM 621 CG1 VAL A 38 2.207 -16.271 -17.498 1.00 72.10 C ATOM 622 CG2 VAL A 38 1.844 -17.244 -19.781 1.00 5.42 C ATOM 0 H VAL A 38 4.806 -14.831 -18.565 1.00 60.03 H new ATOM 0 HA VAL A 38 4.864 -16.874 -18.025 1.00 52.34 H new ATOM 0 HB VAL A 38 2.792 -18.230 -18.165 1.00 10.31 H new ATOM 0 HG11 VAL A 38 1.182 -16.555 -17.260 1.00 72.10 H new ATOM 0 HG12 VAL A 38 2.819 -16.334 -16.598 1.00 72.10 H new ATOM 0 HG13 VAL A 38 2.222 -15.249 -17.876 1.00 72.10 H new ATOM 0 HG21 VAL A 38 0.837 -17.523 -19.472 1.00 5.42 H new ATOM 0 HG22 VAL A 38 1.822 -16.257 -20.244 1.00 5.42 H new ATOM 0 HG23 VAL A 38 2.218 -17.973 -20.500 1.00 5.42 H new ATOM 632 N THR A 39 4.303 -17.975 -21.106 1.00 1.14 N ATOM 633 CA THR A 39 4.505 -19.158 -21.966 1.00 10.02 C ATOM 634 C THR A 39 5.977 -19.578 -22.147 1.00 45.31 C ATOM 635 O THR A 39 6.343 -20.720 -21.854 1.00 50.41 O ATOM 636 CB THR A 39 3.881 -18.944 -23.369 1.00 75.43 C ATOM 637 OG1 THR A 39 2.485 -18.624 -23.250 1.00 73.04 O ATOM 638 CG2 THR A 39 4.040 -20.188 -24.243 1.00 31.23 C ATOM 0 H THR A 39 3.718 -17.254 -21.528 1.00 1.14 H new ATOM 0 HA THR A 39 4.002 -19.965 -21.434 1.00 10.02 H new ATOM 0 HB THR A 39 4.409 -18.116 -23.842 1.00 75.43 H new ATOM 0 HG1 THR A 39 2.317 -17.742 -23.643 1.00 73.04 H new ATOM 0 HG21 THR A 39 3.592 -20.006 -25.220 1.00 31.23 H new ATOM 0 HG22 THR A 39 5.099 -20.414 -24.366 1.00 31.23 H new ATOM 0 HG23 THR A 39 3.542 -21.033 -23.767 1.00 31.23 H new ATOM 646 N GLU A 40 6.816 -18.669 -22.631 1.00 74.20 N ATOM 647 CA GLU A 40 8.171 -19.038 -23.062 1.00 74.33 C ATOM 648 C GLU A 40 9.147 -19.191 -21.874 1.00 61.22 C ATOM 649 O GLU A 40 9.433 -18.237 -21.127 1.00 0.13 O ATOM 650 CB GLU A 40 8.692 -18.016 -24.083 1.00 60.34 C ATOM 651 CG GLU A 40 9.619 -18.611 -25.147 1.00 14.33 C ATOM 652 CD GLU A 40 10.901 -19.185 -24.569 1.00 55.24 C ATOM 653 OE1 GLU A 40 11.845 -18.410 -24.337 1.00 70.03 O ATOM 654 OE2 GLU A 40 10.962 -20.413 -24.333 1.00 14.03 O ATOM 0 H GLU A 40 6.591 -17.680 -22.737 1.00 74.20 H new ATOM 0 HA GLU A 40 8.113 -20.017 -23.538 1.00 74.33 H new ATOM 0 HB2 GLU A 40 7.842 -17.548 -24.578 1.00 60.34 H new ATOM 0 HB3 GLU A 40 9.225 -17.228 -23.552 1.00 60.34 H new ATOM 0 HG2 GLU A 40 9.087 -19.396 -25.685 1.00 14.33 H new ATOM 0 HG3 GLU A 40 9.870 -17.839 -25.874 1.00 14.33 H new ATOM 661 N ARG A 41 9.688 -20.404 -21.739 1.00 43.14 N ATOM 662 CA ARG A 41 10.542 -20.752 -20.606 1.00 52.12 C ATOM 663 C ARG A 41 11.835 -19.937 -20.597 1.00 33.54 C ATOM 664 O ARG A 41 12.142 -19.299 -19.607 1.00 15.52 O ATOM 665 CB ARG A 41 10.886 -22.252 -20.589 1.00 12.50 C ATOM 666 CG ARG A 41 9.686 -23.183 -20.401 1.00 31.23 C ATOM 667 CD ARG A 41 8.947 -23.442 -21.709 1.00 0.03 C ATOM 668 NE ARG A 41 9.798 -24.113 -22.691 1.00 31.54 N ATOM 669 CZ ARG A 41 9.525 -24.188 -23.965 1.00 63.42 C ATOM 670 NH1 ARG A 41 8.453 -23.645 -24.444 1.00 4.41 N ATOM 671 NH2 ARG A 41 10.326 -24.815 -24.759 1.00 75.34 N ATOM 0 H ARG A 41 9.547 -21.164 -22.405 1.00 43.14 H new ATOM 0 HA ARG A 41 9.969 -20.512 -19.710 1.00 52.12 H new ATOM 0 HB2 ARG A 41 11.383 -22.507 -21.525 1.00 12.50 H new ATOM 0 HB3 ARG A 41 11.601 -22.437 -19.788 1.00 12.50 H new ATOM 0 HG2 ARG A 41 10.026 -24.131 -19.984 1.00 31.23 H new ATOM 0 HG3 ARG A 41 8.998 -22.745 -19.678 1.00 31.23 H new ATOM 0 HD2 ARG A 41 8.066 -24.053 -21.514 1.00 0.03 H new ATOM 0 HD3 ARG A 41 8.594 -22.496 -22.120 1.00 0.03 H new ATOM 0 HE ARG A 41 10.658 -24.549 -22.360 1.00 31.54 H new ATOM 0 HH11 ARG A 41 7.811 -23.152 -23.824 1.00 4.41 H new ATOM 0 HH12 ARG A 41 8.250 -23.710 -25.442 1.00 4.41 H new ATOM 0 HH21 ARG A 41 11.171 -25.251 -24.391 1.00 75.34 H new ATOM 0 HH22 ARG A 41 10.114 -24.874 -25.755 1.00 75.34 H new ATOM 685 N GLU A 42 12.574 -19.942 -21.704 1.00 55.34 N ATOM 686 CA GLU A 42 13.895 -19.292 -21.749 1.00 35.43 C ATOM 687 C GLU A 42 13.800 -17.794 -21.403 1.00 74.13 C ATOM 688 O GLU A 42 14.666 -17.253 -20.711 1.00 45.34 O ATOM 689 CB GLU A 42 14.538 -19.484 -23.129 1.00 21.44 C ATOM 690 CG GLU A 42 15.995 -19.037 -23.203 1.00 54.44 C ATOM 691 CD GLU A 42 16.591 -19.227 -24.588 1.00 1.34 C ATOM 692 OE1 GLU A 42 16.724 -20.388 -25.027 1.00 44.45 O ATOM 693 OE2 GLU A 42 16.917 -18.219 -25.249 1.00 52.32 O ATOM 0 H GLU A 42 12.290 -20.383 -22.579 1.00 55.34 H new ATOM 0 HA GLU A 42 14.525 -19.766 -20.997 1.00 35.43 H new ATOM 0 HB2 GLU A 42 14.478 -20.537 -23.403 1.00 21.44 H new ATOM 0 HB3 GLU A 42 13.960 -18.929 -23.868 1.00 21.44 H new ATOM 0 HG2 GLU A 42 16.064 -17.986 -22.922 1.00 54.44 H new ATOM 0 HG3 GLU A 42 16.582 -19.600 -22.478 1.00 54.44 H new ATOM 700 N TYR A 43 12.739 -17.134 -21.881 1.00 34.22 N ATOM 701 CA TYR A 43 12.480 -15.726 -21.541 1.00 23.01 C ATOM 702 C TYR A 43 12.306 -15.522 -20.031 1.00 31.13 C ATOM 703 O TYR A 43 12.715 -14.498 -19.487 1.00 2.32 O ATOM 704 CB TYR A 43 11.252 -15.196 -22.293 1.00 12.41 C ATOM 705 CG TYR A 43 11.512 -14.928 -23.762 1.00 24.43 C ATOM 706 CD1 TYR A 43 12.692 -14.319 -24.176 1.00 3.42 C ATOM 707 CD2 TYR A 43 10.581 -15.279 -24.732 1.00 35.11 C ATOM 708 CE1 TYR A 43 12.935 -14.068 -25.511 1.00 42.04 C ATOM 709 CE2 TYR A 43 10.817 -15.030 -26.070 1.00 1.05 C ATOM 710 CZ TYR A 43 11.996 -14.426 -26.454 1.00 52.11 C ATOM 711 OH TYR A 43 12.233 -14.168 -27.785 1.00 52.50 O ATOM 0 H TYR A 43 12.046 -17.549 -22.503 1.00 34.22 H new ATOM 0 HA TYR A 43 13.356 -15.158 -21.854 1.00 23.01 H new ATOM 0 HB2 TYR A 43 10.440 -15.918 -22.202 1.00 12.41 H new ATOM 0 HB3 TYR A 43 10.914 -14.275 -21.818 1.00 12.41 H new ATOM 0 HD1 TYR A 43 13.431 -14.038 -23.440 1.00 3.42 H new ATOM 0 HD2 TYR A 43 9.658 -15.754 -24.435 1.00 35.11 H new ATOM 0 HE1 TYR A 43 13.856 -13.593 -25.815 1.00 42.04 H new ATOM 0 HE2 TYR A 43 10.082 -15.307 -26.812 1.00 1.05 H new ATOM 0 HH TYR A 43 11.474 -14.483 -28.319 1.00 52.50 H new ATOM 721 N TYR A 44 11.677 -16.475 -19.353 1.00 52.01 N ATOM 722 CA TYR A 44 11.655 -16.451 -17.883 1.00 53.13 C ATOM 723 C TYR A 44 12.984 -16.977 -17.298 1.00 10.21 C ATOM 724 O TYR A 44 13.753 -16.219 -16.717 1.00 63.42 O ATOM 725 CB TYR A 44 10.464 -17.263 -17.348 1.00 64.20 C ATOM 726 CG TYR A 44 9.164 -16.478 -17.276 1.00 5.42 C ATOM 727 CD1 TYR A 44 8.698 -15.749 -18.366 1.00 73.00 C ATOM 728 CD2 TYR A 44 8.412 -16.455 -16.104 1.00 14.20 C ATOM 729 CE1 TYR A 44 7.523 -15.024 -18.288 1.00 54.12 C ATOM 730 CE2 TYR A 44 7.238 -15.733 -16.021 1.00 2.33 C ATOM 731 CZ TYR A 44 6.798 -15.020 -17.112 1.00 50.23 C ATOM 732 OH TYR A 44 5.626 -14.303 -17.032 1.00 33.34 O ATOM 0 H TYR A 44 11.184 -17.260 -19.779 1.00 52.01 H new ATOM 0 HA TYR A 44 11.537 -15.416 -17.564 1.00 53.13 H new ATOM 0 HB2 TYR A 44 10.316 -18.134 -17.986 1.00 64.20 H new ATOM 0 HB3 TYR A 44 10.708 -17.634 -16.353 1.00 64.20 H new ATOM 0 HD1 TYR A 44 9.263 -15.749 -19.287 1.00 73.00 H new ATOM 0 HD2 TYR A 44 8.753 -17.012 -15.244 1.00 14.20 H new ATOM 0 HE1 TYR A 44 7.174 -14.463 -19.143 1.00 54.12 H new ATOM 0 HE2 TYR A 44 6.668 -15.728 -15.104 1.00 2.33 H new ATOM 0 HH TYR A 44 5.399 -14.151 -16.091 1.00 33.34 H new ATOM 742 N GLU A 45 13.226 -18.274 -17.493 1.00 70.42 N ATOM 743 CA GLU A 45 14.416 -19.017 -17.004 1.00 74.24 C ATOM 744 C GLU A 45 15.686 -18.162 -16.780 1.00 55.53 C ATOM 745 O GLU A 45 16.251 -18.158 -15.686 1.00 71.14 O ATOM 746 CB GLU A 45 14.737 -20.136 -18.014 1.00 44.23 C ATOM 747 CG GLU A 45 15.941 -21.001 -17.651 1.00 31.42 C ATOM 748 CD GLU A 45 16.332 -21.961 -18.769 1.00 64.33 C ATOM 749 OE1 GLU A 45 15.562 -22.907 -19.045 1.00 41.02 O ATOM 750 OE2 GLU A 45 17.410 -21.781 -19.374 1.00 4.50 O ATOM 0 H GLU A 45 12.582 -18.869 -18.014 1.00 70.42 H new ATOM 0 HA GLU A 45 14.148 -19.400 -16.019 1.00 74.24 H new ATOM 0 HB2 GLU A 45 13.862 -20.779 -18.113 1.00 44.23 H new ATOM 0 HB3 GLU A 45 14.913 -19.685 -18.991 1.00 44.23 H new ATOM 0 HG2 GLU A 45 16.789 -20.357 -17.417 1.00 31.42 H new ATOM 0 HG3 GLU A 45 15.715 -21.571 -16.750 1.00 31.42 H new ATOM 757 N ASP A 46 16.129 -17.452 -17.814 1.00 52.02 N ATOM 758 CA ASP A 46 17.434 -16.767 -17.789 1.00 41.43 C ATOM 759 C ASP A 46 17.296 -15.303 -17.334 1.00 53.22 C ATOM 760 O ASP A 46 18.286 -14.632 -17.027 1.00 65.30 O ATOM 761 CB ASP A 46 18.081 -16.845 -19.183 1.00 30.23 C ATOM 762 CG ASP A 46 19.525 -16.361 -19.198 1.00 73.24 C ATOM 763 OD1 ASP A 46 20.388 -17.028 -18.588 1.00 34.41 O ATOM 764 OD2 ASP A 46 19.811 -15.321 -19.834 1.00 33.41 O ATOM 0 H ASP A 46 15.609 -17.331 -18.683 1.00 52.02 H new ATOM 0 HA ASP A 46 18.074 -17.270 -17.065 1.00 41.43 H new ATOM 0 HB2 ASP A 46 18.046 -17.875 -19.537 1.00 30.23 H new ATOM 0 HB3 ASP A 46 17.496 -16.248 -19.883 1.00 30.23 H new ATOM 769 N PHE A 47 16.065 -14.814 -17.294 1.00 1.12 N ATOM 770 CA PHE A 47 15.781 -13.440 -16.875 1.00 60.04 C ATOM 771 C PHE A 47 15.167 -13.418 -15.464 1.00 22.22 C ATOM 772 O PHE A 47 15.445 -14.290 -14.641 1.00 74.40 O ATOM 773 CB PHE A 47 14.846 -12.769 -17.894 1.00 32.03 C ATOM 774 CG PHE A 47 15.466 -12.592 -19.261 1.00 41.42 C ATOM 775 CD1 PHE A 47 15.497 -13.643 -20.169 1.00 62.34 C ATOM 776 CD2 PHE A 47 16.013 -11.373 -19.638 1.00 52.24 C ATOM 777 CE1 PHE A 47 16.060 -13.482 -21.420 1.00 5.01 C ATOM 778 CE2 PHE A 47 16.577 -11.207 -20.889 1.00 32.24 C ATOM 779 CZ PHE A 47 16.600 -12.262 -21.782 1.00 10.23 C ATOM 0 H PHE A 47 15.236 -15.351 -17.549 1.00 1.12 H new ATOM 0 HA PHE A 47 16.715 -12.880 -16.838 1.00 60.04 H new ATOM 0 HB2 PHE A 47 13.939 -13.366 -17.990 1.00 32.03 H new ATOM 0 HB3 PHE A 47 14.546 -11.793 -17.511 1.00 32.03 H new ATOM 0 HD1 PHE A 47 15.075 -14.598 -19.893 1.00 62.34 H new ATOM 0 HD2 PHE A 47 15.998 -10.544 -18.945 1.00 52.24 H new ATOM 0 HE1 PHE A 47 16.078 -14.309 -22.115 1.00 5.01 H new ATOM 0 HE2 PHE A 47 17.000 -10.253 -21.169 1.00 32.24 H new ATOM 0 HZ PHE A 47 17.039 -12.133 -22.760 1.00 10.23 H new ATOM 789 N GLY A 48 14.352 -12.406 -15.171 1.00 32.54 N ATOM 790 CA GLY A 48 13.752 -12.290 -13.845 1.00 32.55 C ATOM 791 C GLY A 48 14.740 -11.809 -12.787 1.00 42.31 C ATOM 792 O GLY A 48 14.809 -10.613 -12.497 1.00 61.10 O ATOM 0 H GLY A 48 14.095 -11.665 -15.824 1.00 32.54 H new ATOM 0 HA2 GLY A 48 12.911 -11.598 -13.891 1.00 32.55 H new ATOM 0 HA3 GLY A 48 13.351 -13.259 -13.547 1.00 32.55 H new ATOM 1115 N PRO A 71 -0.226 -15.567 -4.079 1.00 72.21 N ATOM 1116 CA PRO A 71 -0.409 -16.712 -4.979 1.00 2.43 C ATOM 1117 C PRO A 71 -1.793 -17.397 -4.882 1.00 63.34 C ATOM 1118 O PRO A 71 -1.980 -18.481 -5.436 1.00 11.14 O ATOM 1119 CB PRO A 71 0.688 -17.657 -4.483 1.00 12.31 C ATOM 1120 CG PRO A 71 0.725 -17.433 -3.001 1.00 63.04 C ATOM 1121 CD PRO A 71 0.281 -16.002 -2.763 1.00 43.44 C ATOM 0 HA PRO A 71 -0.353 -16.418 -6.027 1.00 2.43 H new ATOM 0 HB2 PRO A 71 0.458 -18.695 -4.723 1.00 12.31 H new ATOM 0 HB3 PRO A 71 1.649 -17.429 -4.944 1.00 12.31 H new ATOM 0 HG2 PRO A 71 0.066 -18.133 -2.488 1.00 63.04 H new ATOM 0 HG3 PRO A 71 1.729 -17.596 -2.610 1.00 63.04 H new ATOM 0 HD2 PRO A 71 -0.493 -15.945 -1.998 1.00 43.44 H new ATOM 0 HD3 PRO A 71 1.108 -15.377 -2.427 1.00 43.44 H new ATOM 1129 N LYS A 72 -2.757 -16.785 -4.181 1.00 51.21 N ATOM 1130 CA LYS A 72 -4.094 -17.388 -4.035 1.00 20.55 C ATOM 1131 C LYS A 72 -5.151 -16.678 -4.898 1.00 51.12 C ATOM 1132 O LYS A 72 -5.800 -17.303 -5.738 1.00 52.53 O ATOM 1133 CB LYS A 72 -4.546 -17.407 -2.563 1.00 23.22 C ATOM 1134 CG LYS A 72 -3.663 -18.263 -1.647 1.00 23.44 C ATOM 1135 CD LYS A 72 -2.570 -17.446 -0.958 1.00 3.41 C ATOM 1136 CE LYS A 72 -3.146 -16.523 0.108 1.00 54.02 C ATOM 1137 NZ LYS A 72 -2.104 -15.667 0.731 1.00 42.21 N ATOM 0 H LYS A 72 -2.642 -15.887 -3.712 1.00 51.21 H new ATOM 0 HA LYS A 72 -4.006 -18.415 -4.389 1.00 20.55 H new ATOM 0 HB2 LYS A 72 -4.559 -16.385 -2.185 1.00 23.22 H new ATOM 0 HB3 LYS A 72 -5.570 -17.778 -2.513 1.00 23.22 H new ATOM 0 HG2 LYS A 72 -4.286 -18.742 -0.891 1.00 23.44 H new ATOM 0 HG3 LYS A 72 -3.203 -19.059 -2.232 1.00 23.44 H new ATOM 0 HD2 LYS A 72 -1.844 -18.120 -0.503 1.00 3.41 H new ATOM 0 HD3 LYS A 72 -2.034 -16.855 -1.701 1.00 3.41 H new ATOM 0 HE2 LYS A 72 -3.914 -15.891 -0.337 1.00 54.02 H new ATOM 0 HE3 LYS A 72 -3.632 -17.120 0.879 1.00 54.02 H new ATOM 0 HZ1 LYS A 72 -2.541 -15.056 1.450 1.00 42.21 H new ATOM 0 HZ2 LYS A 72 -1.383 -16.268 1.179 1.00 42.21 H new ATOM 0 HZ3 LYS A 72 -1.657 -15.077 0.000 1.00 42.21 H new ATOM 1151 N LEU A 73 -5.319 -15.369 -4.700 1.00 5.11 N ATOM 1152 CA LEU A 73 -6.348 -14.600 -5.426 1.00 64.44 C ATOM 1153 C LEU A 73 -5.857 -14.193 -6.835 1.00 71.05 C ATOM 1154 O LEU A 73 -6.060 -13.065 -7.288 1.00 42.23 O ATOM 1155 CB LEU A 73 -6.760 -13.362 -4.605 1.00 63.12 C ATOM 1156 CG LEU A 73 -8.043 -12.648 -5.082 1.00 23.15 C ATOM 1157 CD1 LEU A 73 -9.237 -13.603 -5.072 1.00 14.22 C ATOM 1158 CD2 LEU A 73 -8.334 -11.424 -4.216 1.00 61.33 C ATOM 0 H LEU A 73 -4.762 -14.816 -4.048 1.00 5.11 H new ATOM 0 HA LEU A 73 -7.222 -15.237 -5.559 1.00 64.44 H new ATOM 0 HB2 LEU A 73 -6.898 -13.665 -3.567 1.00 63.12 H new ATOM 0 HB3 LEU A 73 -5.938 -12.646 -4.622 1.00 63.12 H new ATOM 0 HG LEU A 73 -7.880 -12.316 -6.107 1.00 23.15 H new ATOM 0 HD11 LEU A 73 -10.128 -13.075 -5.412 1.00 14.22 H new ATOM 0 HD12 LEU A 73 -9.037 -14.443 -5.737 1.00 14.22 H new ATOM 0 HD13 LEU A 73 -9.399 -13.973 -4.059 1.00 14.22 H new ATOM 0 HD21 LEU A 73 -9.242 -10.936 -4.569 1.00 61.33 H new ATOM 0 HD22 LEU A 73 -8.469 -11.735 -3.180 1.00 61.33 H new ATOM 0 HD23 LEU A 73 -7.499 -10.726 -4.280 1.00 61.33 H new ATOM 1170 N LEU A 74 -5.218 -15.135 -7.522 1.00 30.22 N ATOM 1171 CA LEU A 74 -4.621 -14.890 -8.842 1.00 73.51 C ATOM 1172 C LEU A 74 -5.441 -15.537 -9.979 1.00 62.43 C ATOM 1173 O LEU A 74 -5.573 -16.760 -10.029 1.00 73.43 O ATOM 1174 CB LEU A 74 -3.192 -15.458 -8.854 1.00 41.10 C ATOM 1175 CG LEU A 74 -2.450 -15.404 -10.204 1.00 1.23 C ATOM 1176 CD1 LEU A 74 -2.168 -13.962 -10.612 1.00 33.20 C ATOM 1177 CD2 LEU A 74 -1.156 -16.218 -10.136 1.00 24.32 C ATOM 0 H LEU A 74 -5.097 -16.090 -7.185 1.00 30.22 H new ATOM 0 HA LEU A 74 -4.612 -13.814 -9.016 1.00 73.51 H new ATOM 0 HB2 LEU A 74 -2.601 -14.915 -8.116 1.00 41.10 H new ATOM 0 HB3 LEU A 74 -3.233 -16.497 -8.527 1.00 41.10 H new ATOM 0 HG LEU A 74 -3.091 -15.846 -10.966 1.00 1.23 H new ATOM 0 HD11 LEU A 74 -1.644 -13.950 -11.568 1.00 33.20 H new ATOM 0 HD12 LEU A 74 -3.109 -13.420 -10.708 1.00 33.20 H new ATOM 0 HD13 LEU A 74 -1.549 -13.483 -9.853 1.00 33.20 H new ATOM 0 HD21 LEU A 74 -0.645 -16.169 -11.097 1.00 24.32 H new ATOM 0 HD22 LEU A 74 -0.509 -15.809 -9.360 1.00 24.32 H new ATOM 0 HD23 LEU A 74 -1.391 -17.256 -9.902 1.00 24.32 H new ATOM 1189 N PRO A 75 -6.018 -14.729 -10.902 1.00 52.02 N ATOM 1190 CA PRO A 75 -6.664 -15.259 -12.123 1.00 33.11 C ATOM 1191 C PRO A 75 -5.647 -15.987 -13.020 1.00 54.24 C ATOM 1192 O PRO A 75 -4.798 -15.356 -13.653 1.00 11.24 O ATOM 1193 CB PRO A 75 -7.221 -14.001 -12.818 1.00 31.45 C ATOM 1194 CG PRO A 75 -7.264 -12.955 -11.751 1.00 74.35 C ATOM 1195 CD PRO A 75 -6.114 -13.259 -10.828 1.00 31.25 C ATOM 0 HA PRO A 75 -7.437 -15.996 -11.904 1.00 33.11 H new ATOM 0 HB2 PRO A 75 -6.583 -13.693 -13.647 1.00 31.45 H new ATOM 0 HB3 PRO A 75 -8.213 -14.185 -13.230 1.00 31.45 H new ATOM 0 HG2 PRO A 75 -7.168 -11.957 -12.179 1.00 74.35 H new ATOM 0 HG3 PRO A 75 -8.213 -12.983 -11.215 1.00 74.35 H new ATOM 0 HD2 PRO A 75 -5.193 -12.776 -11.156 1.00 31.25 H new ATOM 0 HD3 PRO A 75 -6.309 -12.917 -9.812 1.00 31.25 H new ATOM 1203 N TYR A 76 -5.732 -17.317 -13.074 1.00 42.44 N ATOM 1204 CA TYR A 76 -4.649 -18.126 -13.639 1.00 73.21 C ATOM 1205 C TYR A 76 -5.100 -19.076 -14.759 1.00 3.34 C ATOM 1206 O TYR A 76 -6.220 -19.587 -14.766 1.00 31.31 O ATOM 1207 CB TYR A 76 -3.994 -18.953 -12.520 1.00 32.22 C ATOM 1208 CG TYR A 76 -4.908 -20.022 -11.931 1.00 14.44 C ATOM 1209 CD1 TYR A 76 -5.862 -19.701 -10.968 1.00 2.14 C ATOM 1210 CD2 TYR A 76 -4.824 -21.348 -12.348 1.00 53.32 C ATOM 1211 CE1 TYR A 76 -6.695 -20.668 -10.438 1.00 12.15 C ATOM 1212 CE2 TYR A 76 -5.656 -22.318 -11.823 1.00 0.42 C ATOM 1213 CZ TYR A 76 -6.590 -21.973 -10.870 1.00 35.14 C ATOM 1214 OH TYR A 76 -7.421 -22.938 -10.345 1.00 53.32 O ATOM 0 H TYR A 76 -6.531 -17.854 -12.737 1.00 42.44 H new ATOM 0 HA TYR A 76 -3.944 -17.425 -14.085 1.00 73.21 H new ATOM 0 HB2 TYR A 76 -3.096 -19.431 -12.912 1.00 32.22 H new ATOM 0 HB3 TYR A 76 -3.675 -18.281 -11.723 1.00 32.22 H new ATOM 0 HD1 TYR A 76 -5.952 -18.679 -10.630 1.00 2.14 H new ATOM 0 HD2 TYR A 76 -4.095 -21.623 -13.096 1.00 53.32 H new ATOM 0 HE1 TYR A 76 -7.426 -20.402 -9.688 1.00 12.15 H new ATOM 0 HE2 TYR A 76 -5.575 -23.342 -12.158 1.00 0.42 H new ATOM 0 HH TYR A 76 -7.218 -23.804 -10.757 1.00 53.32 H new ATOM 1224 N ASP A 77 -4.198 -19.297 -15.706 1.00 23.34 N ATOM 1225 CA ASP A 77 -4.307 -20.405 -16.652 1.00 64.44 C ATOM 1226 C ASP A 77 -3.373 -21.543 -16.211 1.00 13.53 C ATOM 1227 O ASP A 77 -2.691 -21.430 -15.192 1.00 44.32 O ATOM 1228 CB ASP A 77 -3.926 -19.945 -18.061 1.00 35.12 C ATOM 1229 CG ASP A 77 -4.793 -18.806 -18.555 1.00 54.24 C ATOM 1230 OD1 ASP A 77 -5.986 -19.044 -18.835 1.00 2.21 O ATOM 1231 OD2 ASP A 77 -4.285 -17.672 -18.675 1.00 24.31 O ATOM 0 H ASP A 77 -3.371 -18.716 -15.842 1.00 23.34 H new ATOM 0 HA ASP A 77 -5.338 -20.758 -16.667 1.00 64.44 H new ATOM 0 HB2 ASP A 77 -2.882 -19.631 -18.067 1.00 35.12 H new ATOM 0 HB3 ASP A 77 -4.010 -20.786 -18.749 1.00 35.12 H new ATOM 1236 N LYS A 78 -3.324 -22.625 -16.978 1.00 41.44 N ATOM 1237 CA LYS A 78 -2.405 -23.731 -16.683 1.00 23.54 C ATOM 1238 C LYS A 78 -0.941 -23.262 -16.786 1.00 72.41 C ATOM 1239 O LYS A 78 -0.171 -23.342 -15.820 1.00 21.33 O ATOM 1240 CB LYS A 78 -2.673 -24.896 -17.645 1.00 12.35 C ATOM 1241 CG LYS A 78 -1.849 -26.148 -17.361 1.00 62.33 C ATOM 1242 CD LYS A 78 -2.268 -27.309 -18.260 1.00 22.24 C ATOM 1243 CE LYS A 78 -3.747 -27.651 -18.092 1.00 13.04 C ATOM 1244 NZ LYS A 78 -4.183 -28.726 -19.022 1.00 2.21 N ATOM 0 H LYS A 78 -3.904 -22.766 -17.805 1.00 41.44 H new ATOM 0 HA LYS A 78 -2.576 -24.072 -15.662 1.00 23.54 H new ATOM 0 HB2 LYS A 78 -3.731 -25.154 -17.599 1.00 12.35 H new ATOM 0 HB3 LYS A 78 -2.470 -24.565 -18.663 1.00 12.35 H new ATOM 0 HG2 LYS A 78 -0.792 -25.931 -17.514 1.00 62.33 H new ATOM 0 HG3 LYS A 78 -1.968 -26.434 -16.316 1.00 62.33 H new ATOM 0 HD2 LYS A 78 -2.070 -27.053 -19.301 1.00 22.24 H new ATOM 0 HD3 LYS A 78 -1.663 -28.186 -18.027 1.00 22.24 H new ATOM 0 HE2 LYS A 78 -3.931 -27.965 -17.065 1.00 13.04 H new ATOM 0 HE3 LYS A 78 -4.347 -26.758 -18.265 1.00 13.04 H new ATOM 0 HZ1 LYS A 78 -5.193 -28.925 -18.873 1.00 2.21 H new ATOM 0 HZ2 LYS A 78 -4.032 -28.418 -20.004 1.00 2.21 H new ATOM 0 HZ3 LYS A 78 -3.630 -29.588 -18.841 1.00 2.21 H new ATOM 1258 N ARG A 79 -0.572 -22.750 -17.961 1.00 74.23 N ATOM 1259 CA ARG A 79 0.768 -22.189 -18.188 1.00 74.10 C ATOM 1260 C ARG A 79 1.053 -21.013 -17.238 1.00 64.40 C ATOM 1261 O ARG A 79 2.168 -20.857 -16.735 1.00 22.54 O ATOM 1262 CB ARG A 79 0.905 -21.722 -19.649 1.00 74.42 C ATOM 1263 CG ARG A 79 -0.118 -20.658 -20.053 1.00 22.20 C ATOM 1264 CD ARG A 79 0.084 -20.163 -21.484 1.00 63.11 C ATOM 1265 NE ARG A 79 -0.963 -19.218 -21.875 1.00 53.45 N ATOM 1266 CZ ARG A 79 -1.017 -18.608 -23.029 1.00 41.42 C ATOM 1267 NH1 ARG A 79 -0.043 -18.711 -23.874 1.00 31.44 N ATOM 1268 NH2 ARG A 79 -2.032 -17.857 -23.315 1.00 3.44 N ATOM 0 H ARG A 79 -1.183 -22.711 -18.777 1.00 74.23 H new ATOM 0 HA ARG A 79 1.497 -22.974 -17.986 1.00 74.10 H new ATOM 0 HB2 ARG A 79 1.909 -21.325 -19.802 1.00 74.42 H new ATOM 0 HB3 ARG A 79 0.799 -22.584 -20.308 1.00 74.42 H new ATOM 0 HG2 ARG A 79 -1.123 -21.069 -19.953 1.00 22.20 H new ATOM 0 HG3 ARG A 79 -0.049 -19.814 -19.367 1.00 22.20 H new ATOM 0 HD2 ARG A 79 1.059 -19.684 -21.571 1.00 63.11 H new ATOM 0 HD3 ARG A 79 0.084 -21.012 -22.168 1.00 63.11 H new ATOM 0 HE ARG A 79 -1.702 -19.022 -21.200 1.00 53.45 H new ATOM 0 HH11 ARG A 79 0.776 -19.272 -23.642 1.00 31.44 H new ATOM 0 HH12 ARG A 79 -0.094 -18.231 -24.773 1.00 31.44 H new ATOM 0 HH21 ARG A 79 -2.788 -17.742 -22.640 1.00 3.44 H new ATOM 0 HH22 ARG A 79 -2.076 -17.380 -24.216 1.00 3.44 H new ATOM 1282 N LEU A 80 0.032 -20.194 -17.001 1.00 12.03 N ATOM 1283 CA LEU A 80 0.159 -19.007 -16.152 1.00 2.32 C ATOM 1284 C LEU A 80 0.485 -19.396 -14.702 1.00 51.20 C ATOM 1285 O LEU A 80 1.492 -18.957 -14.146 1.00 30.04 O ATOM 1286 CB LEU A 80 -1.144 -18.188 -16.228 1.00 52.44 C ATOM 1287 CG LEU A 80 -1.124 -16.772 -15.610 1.00 70.50 C ATOM 1288 CD1 LEU A 80 -2.311 -15.957 -16.120 1.00 50.31 C ATOM 1289 CD2 LEU A 80 -1.154 -16.822 -14.080 1.00 24.33 C ATOM 0 H LEU A 80 -0.902 -20.330 -17.388 1.00 12.03 H new ATOM 0 HA LEU A 80 0.986 -18.396 -16.514 1.00 2.32 H new ATOM 0 HB2 LEU A 80 -1.424 -18.095 -17.277 1.00 52.44 H new ATOM 0 HB3 LEU A 80 -1.932 -18.760 -15.737 1.00 52.44 H new ATOM 0 HG LEU A 80 -0.193 -16.294 -15.915 1.00 70.50 H new ATOM 0 HD11 LEU A 80 -2.286 -14.961 -15.677 1.00 50.31 H new ATOM 0 HD12 LEU A 80 -2.255 -15.873 -17.205 1.00 50.31 H new ATOM 0 HD13 LEU A 80 -3.240 -16.454 -15.842 1.00 50.31 H new ATOM 0 HD21 LEU A 80 -1.139 -15.807 -13.682 1.00 24.33 H new ATOM 0 HD22 LEU A 80 -2.062 -17.327 -13.750 1.00 24.33 H new ATOM 0 HD23 LEU A 80 -0.283 -17.367 -13.717 1.00 24.33 H new ATOM 1301 N ALA A 81 -0.371 -20.224 -14.103 1.00 11.11 N ATOM 1302 CA ALA A 81 -0.201 -20.649 -12.710 1.00 72.23 C ATOM 1303 C ALA A 81 1.182 -21.264 -12.461 1.00 30.53 C ATOM 1304 O ALA A 81 1.898 -20.849 -11.550 1.00 11.54 O ATOM 1305 CB ALA A 81 -1.289 -21.646 -12.323 1.00 72.14 C ATOM 0 H ALA A 81 -1.193 -20.616 -14.562 1.00 11.11 H new ATOM 0 HA ALA A 81 -0.286 -19.758 -12.088 1.00 72.23 H new ATOM 0 HB1 ALA A 81 -1.150 -21.952 -11.286 1.00 72.14 H new ATOM 0 HB2 ALA A 81 -2.267 -21.179 -12.435 1.00 72.14 H new ATOM 0 HB3 ALA A 81 -1.228 -22.520 -12.971 1.00 72.14 H new ATOM 1311 N TRP A 82 1.561 -22.244 -13.282 1.00 53.10 N ATOM 1312 CA TRP A 82 2.837 -22.947 -13.099 1.00 51.21 C ATOM 1313 C TRP A 82 4.050 -22.012 -13.287 1.00 71.22 C ATOM 1314 O TRP A 82 5.020 -22.081 -12.532 1.00 3.43 O ATOM 1315 CB TRP A 82 2.934 -24.135 -14.066 1.00 14.01 C ATOM 1316 CG TRP A 82 4.171 -24.966 -13.871 1.00 25.34 C ATOM 1317 CD1 TRP A 82 5.277 -24.994 -14.669 1.00 13.14 C ATOM 1318 CD2 TRP A 82 4.422 -25.889 -12.802 1.00 51.41 C ATOM 1319 NE1 TRP A 82 6.199 -25.878 -14.165 1.00 1.23 N ATOM 1320 CE2 TRP A 82 5.700 -26.437 -13.018 1.00 75.02 C ATOM 1321 CE3 TRP A 82 3.692 -26.300 -11.681 1.00 21.04 C ATOM 1322 CZ2 TRP A 82 6.262 -27.377 -12.157 1.00 14.51 C ATOM 1323 CZ3 TRP A 82 4.250 -27.233 -10.827 1.00 13.24 C ATOM 1324 CH2 TRP A 82 5.525 -27.761 -11.068 1.00 13.51 C ATOM 0 H TRP A 82 1.009 -22.569 -14.076 1.00 53.10 H new ATOM 0 HA TRP A 82 2.860 -23.311 -12.072 1.00 51.21 H new ATOM 0 HB2 TRP A 82 2.056 -24.769 -13.940 1.00 14.01 H new ATOM 0 HB3 TRP A 82 2.914 -23.762 -15.090 1.00 14.01 H new ATOM 0 HD1 TRP A 82 5.408 -24.407 -15.566 1.00 13.14 H new ATOM 0 HE1 TRP A 82 7.108 -26.085 -14.578 1.00 1.23 H new ATOM 0 HE3 TRP A 82 2.710 -25.895 -11.486 1.00 21.04 H new ATOM 0 HZ2 TRP A 82 7.243 -27.788 -12.341 1.00 14.51 H new ATOM 0 HZ3 TRP A 82 3.694 -27.560 -9.961 1.00 13.24 H new ATOM 0 HH2 TRP A 82 5.936 -28.486 -10.381 1.00 13.51 H new ATOM 1335 N HIS A 83 3.992 -21.131 -14.285 1.00 2.10 N ATOM 1336 CA HIS A 83 5.128 -20.247 -14.591 1.00 31.25 C ATOM 1337 C HIS A 83 5.241 -19.069 -13.605 1.00 22.34 C ATOM 1338 O HIS A 83 6.348 -18.649 -13.270 1.00 51.54 O ATOM 1339 CB HIS A 83 5.045 -19.757 -16.043 1.00 20.12 C ATOM 1340 CG HIS A 83 5.329 -20.844 -17.045 1.00 25.41 C ATOM 1341 ND1 HIS A 83 6.154 -20.671 -18.135 1.00 62.54 N ATOM 1342 CD2 HIS A 83 4.906 -22.132 -17.106 1.00 61.00 C ATOM 1343 CE1 HIS A 83 6.231 -21.798 -18.815 1.00 21.41 C ATOM 1344 NE2 HIS A 83 5.484 -22.699 -18.215 1.00 45.13 N ATOM 0 H HIS A 83 3.182 -21.007 -14.892 1.00 2.10 H new ATOM 0 HA HIS A 83 6.040 -20.832 -14.472 1.00 31.25 H new ATOM 0 HB2 HIS A 83 4.051 -19.350 -16.228 1.00 20.12 H new ATOM 0 HB3 HIS A 83 5.755 -18.942 -16.187 1.00 20.12 H new ATOM 0 HD1 HIS A 83 6.632 -19.804 -18.379 1.00 62.54 H new ATOM 0 HD2 HIS A 83 4.239 -22.620 -16.411 1.00 61.00 H new ATOM 0 HE1 HIS A 83 6.810 -21.955 -19.713 1.00 21.41 H new ATOM 1353 N PHE A 84 4.108 -18.539 -13.139 1.00 10.32 N ATOM 1354 CA PHE A 84 4.117 -17.522 -12.071 1.00 73.33 C ATOM 1355 C PHE A 84 4.605 -18.135 -10.751 1.00 62.05 C ATOM 1356 O PHE A 84 5.342 -17.504 -9.990 1.00 51.45 O ATOM 1357 CB PHE A 84 2.719 -16.897 -11.891 1.00 23.12 C ATOM 1358 CG PHE A 84 2.416 -15.753 -12.837 1.00 70.22 C ATOM 1359 CD1 PHE A 84 3.198 -15.515 -13.963 1.00 10.41 C ATOM 1360 CD2 PHE A 84 1.350 -14.902 -12.581 1.00 53.24 C ATOM 1361 CE1 PHE A 84 2.915 -14.457 -14.810 1.00 0.14 C ATOM 1362 CE2 PHE A 84 1.067 -13.844 -13.424 1.00 32.25 C ATOM 1363 CZ PHE A 84 1.849 -13.622 -14.540 1.00 61.44 C ATOM 0 H PHE A 84 3.179 -18.790 -13.476 1.00 10.32 H new ATOM 0 HA PHE A 84 4.806 -16.730 -12.364 1.00 73.33 H new ATOM 0 HB2 PHE A 84 1.967 -17.674 -12.028 1.00 23.12 H new ATOM 0 HB3 PHE A 84 2.624 -16.539 -10.866 1.00 23.12 H new ATOM 0 HD1 PHE A 84 4.035 -16.163 -14.179 1.00 10.41 H new ATOM 0 HD2 PHE A 84 0.733 -15.069 -11.711 1.00 53.24 H new ATOM 0 HE1 PHE A 84 3.528 -14.285 -15.682 1.00 0.14 H new ATOM 0 HE2 PHE A 84 0.234 -13.191 -13.210 1.00 32.25 H new ATOM 0 HZ PHE A 84 1.627 -12.797 -15.201 1.00 61.44 H new ATOM 1373 N LYS A 85 4.170 -19.365 -10.488 1.00 31.40 N ATOM 1374 CA LYS A 85 4.683 -20.162 -9.370 1.00 35.40 C ATOM 1375 C LYS A 85 6.219 -20.238 -9.400 1.00 65.22 C ATOM 1376 O LYS A 85 6.888 -19.740 -8.499 1.00 33.13 O ATOM 1377 CB LYS A 85 4.088 -21.577 -9.423 1.00 3.25 C ATOM 1378 CG LYS A 85 4.648 -22.539 -8.376 1.00 50.01 C ATOM 1379 CD LYS A 85 4.153 -23.965 -8.606 1.00 64.03 C ATOM 1380 CE LYS A 85 4.764 -24.951 -7.618 1.00 71.22 C ATOM 1381 NZ LYS A 85 6.251 -24.955 -7.674 1.00 2.21 N ATOM 0 H LYS A 85 3.455 -19.838 -11.040 1.00 31.40 H new ATOM 0 HA LYS A 85 4.386 -19.676 -8.441 1.00 35.40 H new ATOM 0 HB2 LYS A 85 3.008 -21.508 -9.294 1.00 3.25 H new ATOM 0 HB3 LYS A 85 4.265 -21.995 -10.414 1.00 3.25 H new ATOM 0 HG2 LYS A 85 5.737 -22.521 -8.409 1.00 50.01 H new ATOM 0 HG3 LYS A 85 4.354 -22.207 -7.380 1.00 50.01 H new ATOM 0 HD2 LYS A 85 3.067 -23.990 -8.517 1.00 64.03 H new ATOM 0 HD3 LYS A 85 4.397 -24.273 -9.623 1.00 64.03 H new ATOM 0 HE2 LYS A 85 4.441 -24.698 -6.608 1.00 71.22 H new ATOM 0 HE3 LYS A 85 4.392 -25.953 -7.830 1.00 71.22 H new ATOM 0 HZ1 LYS A 85 6.606 -25.895 -7.405 1.00 2.21 H new ATOM 0 HZ2 LYS A 85 6.563 -24.731 -8.641 1.00 2.21 H new ATOM 0 HZ3 LYS A 85 6.625 -24.242 -7.016 1.00 2.21 H new ATOM 1395 N GLU A 86 6.767 -20.842 -10.453 1.00 45.14 N ATOM 1396 CA GLU A 86 8.222 -21.010 -10.587 1.00 54.01 C ATOM 1397 C GLU A 86 8.978 -19.666 -10.625 1.00 14.34 C ATOM 1398 O GLU A 86 10.159 -19.604 -10.286 1.00 71.43 O ATOM 1399 CB GLU A 86 8.542 -21.820 -11.852 1.00 55.20 C ATOM 1400 CG GLU A 86 8.009 -23.252 -11.828 1.00 60.34 C ATOM 1401 CD GLU A 86 8.594 -24.083 -10.692 1.00 13.13 C ATOM 1402 OE1 GLU A 86 9.834 -24.223 -10.636 1.00 72.54 O ATOM 1403 OE2 GLU A 86 7.820 -24.592 -9.847 1.00 41.01 O ATOM 0 H GLU A 86 6.228 -21.225 -11.230 1.00 45.14 H new ATOM 0 HA GLU A 86 8.562 -21.546 -9.701 1.00 54.01 H new ATOM 0 HB2 GLU A 86 8.125 -21.303 -12.716 1.00 55.20 H new ATOM 0 HB3 GLU A 86 9.623 -21.848 -11.988 1.00 55.20 H new ATOM 0 HG2 GLU A 86 6.923 -23.229 -11.733 1.00 60.34 H new ATOM 0 HG3 GLU A 86 8.235 -23.735 -12.779 1.00 60.34 H new ATOM 1410 N PHE A 87 8.301 -18.600 -11.054 1.00 10.25 N ATOM 1411 CA PHE A 87 8.920 -17.270 -11.125 1.00 1.22 C ATOM 1412 C PHE A 87 9.032 -16.637 -9.725 1.00 13.41 C ATOM 1413 O PHE A 87 10.123 -16.285 -9.268 1.00 24.24 O ATOM 1414 CB PHE A 87 8.098 -16.355 -12.057 1.00 34.10 C ATOM 1415 CG PHE A 87 8.875 -15.213 -12.662 1.00 12.21 C ATOM 1416 CD1 PHE A 87 10.088 -15.440 -13.295 1.00 72.44 C ATOM 1417 CD2 PHE A 87 8.377 -13.918 -12.626 1.00 71.02 C ATOM 1418 CE1 PHE A 87 10.791 -14.403 -13.873 1.00 22.43 C ATOM 1419 CE2 PHE A 87 9.079 -12.876 -13.201 1.00 71.14 C ATOM 1420 CZ PHE A 87 10.287 -13.120 -13.825 1.00 33.25 C ATOM 0 H PHE A 87 7.327 -18.628 -11.357 1.00 10.25 H new ATOM 0 HA PHE A 87 9.926 -17.382 -11.528 1.00 1.22 H new ATOM 0 HB2 PHE A 87 7.681 -16.960 -12.862 1.00 34.10 H new ATOM 0 HB3 PHE A 87 7.257 -15.948 -11.495 1.00 34.10 H new ATOM 0 HD1 PHE A 87 10.488 -16.442 -13.336 1.00 72.44 H new ATOM 0 HD2 PHE A 87 7.431 -13.723 -12.143 1.00 71.02 H new ATOM 0 HE1 PHE A 87 11.734 -14.596 -14.362 1.00 22.43 H new ATOM 0 HE2 PHE A 87 8.684 -11.872 -13.163 1.00 71.14 H new ATOM 0 HZ PHE A 87 10.837 -12.307 -14.275 1.00 33.25 H new ATOM 1430 N CYS A 88 7.891 -16.500 -9.052 1.00 12.05 N ATOM 1431 CA CYS A 88 7.827 -15.825 -7.748 1.00 15.01 C ATOM 1432 C CYS A 88 7.624 -16.806 -6.579 1.00 12.45 C ATOM 1433 O CYS A 88 8.341 -16.758 -5.583 1.00 63.10 O ATOM 1434 CB CYS A 88 6.692 -14.796 -7.762 1.00 32.40 C ATOM 1435 SG CYS A 88 6.764 -13.648 -9.155 1.00 64.05 S ATOM 0 H CYS A 88 6.992 -16.848 -9.386 1.00 12.05 H new ATOM 0 HA CYS A 88 8.787 -15.333 -7.589 1.00 15.01 H new ATOM 0 HB2 CYS A 88 5.738 -15.322 -7.786 1.00 32.40 H new ATOM 0 HB3 CYS A 88 6.719 -14.227 -6.833 1.00 32.40 H new ATOM 0 HG CYS A 88 7.900 -13.785 -9.772 1.00 64.05 H new ATOM 1441 N TYR A 89 6.658 -17.710 -6.717 1.00 53.23 N ATOM 1442 CA TYR A 89 6.227 -18.583 -5.610 1.00 23.12 C ATOM 1443 C TYR A 89 7.111 -19.847 -5.514 1.00 31.04 C ATOM 1444 O TYR A 89 6.620 -20.958 -5.315 1.00 74.10 O ATOM 1445 CB TYR A 89 4.749 -18.958 -5.831 1.00 41.24 C ATOM 1446 CG TYR A 89 4.074 -19.667 -4.667 1.00 73.45 C ATOM 1447 CD1 TYR A 89 4.030 -19.091 -3.401 1.00 74.11 C ATOM 1448 CD2 TYR A 89 3.469 -20.907 -4.842 1.00 32.32 C ATOM 1449 CE1 TYR A 89 3.406 -19.731 -2.347 1.00 13.05 C ATOM 1450 CE2 TYR A 89 2.841 -21.551 -3.794 1.00 21.33 C ATOM 1451 CZ TYR A 89 2.813 -20.959 -2.549 1.00 70.22 C ATOM 1452 OH TYR A 89 2.183 -21.599 -1.503 1.00 55.33 O ATOM 0 H TYR A 89 6.151 -17.864 -7.588 1.00 53.23 H new ATOM 0 HA TYR A 89 6.335 -18.050 -4.665 1.00 23.12 H new ATOM 0 HB2 TYR A 89 4.191 -18.049 -6.053 1.00 41.24 H new ATOM 0 HB3 TYR A 89 4.682 -19.597 -6.712 1.00 41.24 H new ATOM 0 HD1 TYR A 89 4.491 -18.128 -3.239 1.00 74.11 H new ATOM 0 HD2 TYR A 89 3.491 -21.375 -5.815 1.00 32.32 H new ATOM 0 HE1 TYR A 89 3.383 -19.271 -1.370 1.00 13.05 H new ATOM 0 HE2 TYR A 89 2.375 -22.513 -3.949 1.00 21.33 H new ATOM 0 HH TYR A 89 1.817 -22.453 -1.815 1.00 55.33 H new ATOM 1462 N LYS A 90 8.424 -19.659 -5.635 1.00 23.12 N ATOM 1463 CA LYS A 90 9.379 -20.773 -5.693 1.00 25.04 C ATOM 1464 C LYS A 90 10.598 -20.513 -4.776 1.00 55.23 C ATOM 1465 O LYS A 90 10.990 -19.369 -4.558 1.00 43.23 O ATOM 1466 CB LYS A 90 9.787 -20.990 -7.166 1.00 10.14 C ATOM 1467 CG LYS A 90 10.856 -22.055 -7.412 1.00 62.32 C ATOM 1468 CD LYS A 90 12.257 -21.452 -7.439 1.00 1.11 C ATOM 1469 CE LYS A 90 13.328 -22.496 -7.728 1.00 4.52 C ATOM 1470 NZ LYS A 90 14.691 -21.903 -7.682 1.00 73.12 N ATOM 0 H LYS A 90 8.857 -18.738 -5.696 1.00 23.12 H new ATOM 0 HA LYS A 90 8.913 -21.685 -5.319 1.00 25.04 H new ATOM 0 HB2 LYS A 90 8.896 -21.259 -7.734 1.00 10.14 H new ATOM 0 HB3 LYS A 90 10.147 -20.042 -7.567 1.00 10.14 H new ATOM 0 HG2 LYS A 90 10.801 -22.813 -6.631 1.00 62.32 H new ATOM 0 HG3 LYS A 90 10.658 -22.558 -8.359 1.00 62.32 H new ATOM 0 HD2 LYS A 90 12.300 -20.671 -8.198 1.00 1.11 H new ATOM 0 HD3 LYS A 90 12.465 -20.977 -6.480 1.00 1.11 H new ATOM 0 HE2 LYS A 90 13.256 -23.304 -7.000 1.00 4.52 H new ATOM 0 HE3 LYS A 90 13.154 -22.936 -8.710 1.00 4.52 H new ATOM 0 HZ1 LYS A 90 15.360 -22.533 -8.168 1.00 73.12 H new ATOM 0 HZ2 LYS A 90 14.683 -20.976 -8.154 1.00 73.12 H new ATOM 0 HZ3 LYS A 90 14.985 -21.784 -6.691 1.00 73.12 H new ATOM 1484 N THR A 91 11.185 -21.585 -4.234 1.00 32.03 N ATOM 1485 CA THR A 91 12.282 -21.474 -3.249 1.00 74.22 C ATOM 1486 C THR A 91 13.612 -21.019 -3.884 1.00 62.24 C ATOM 1487 O THR A 91 13.945 -21.403 -5.004 1.00 1.45 O ATOM 1488 CB THR A 91 12.514 -22.825 -2.528 1.00 51.31 C ATOM 1489 OG1 THR A 91 11.269 -23.321 -2.009 1.00 34.32 O ATOM 1490 CG2 THR A 91 13.522 -22.683 -1.388 1.00 11.21 C ATOM 0 H THR A 91 10.922 -22.545 -4.457 1.00 32.03 H new ATOM 0 HA THR A 91 11.967 -20.713 -2.535 1.00 74.22 H new ATOM 0 HB THR A 91 12.918 -23.528 -3.256 1.00 51.31 H new ATOM 0 HG1 THR A 91 11.421 -24.176 -1.556 1.00 34.32 H new ATOM 0 HG21 THR A 91 13.662 -23.649 -0.903 1.00 11.21 H new ATOM 0 HG22 THR A 91 14.475 -22.336 -1.786 1.00 11.21 H new ATOM 0 HG23 THR A 91 13.149 -21.963 -0.660 1.00 11.21 H new ATOM 1498 N SER A 92 14.380 -20.212 -3.145 1.00 61.13 N ATOM 1499 CA SER A 92 15.686 -19.716 -3.618 1.00 32.15 C ATOM 1500 C SER A 92 16.633 -20.857 -4.003 1.00 11.13 C ATOM 1501 O SER A 92 16.685 -21.893 -3.335 1.00 74.45 O ATOM 1502 CB SER A 92 16.359 -18.848 -2.546 1.00 44.33 C ATOM 1503 OG SER A 92 15.587 -17.697 -2.257 1.00 10.33 O ATOM 0 H SER A 92 14.123 -19.885 -2.214 1.00 61.13 H new ATOM 0 HA SER A 92 15.488 -19.119 -4.508 1.00 32.15 H new ATOM 0 HB2 SER A 92 16.499 -19.433 -1.637 1.00 44.33 H new ATOM 0 HB3 SER A 92 17.350 -18.548 -2.887 1.00 44.33 H new ATOM 0 HG SER A 92 16.039 -17.164 -1.570 1.00 10.33 H new ATOM 1509 N ALA A 93 17.385 -20.657 -5.082 1.00 53.12 N ATOM 1510 CA ALA A 93 18.330 -21.665 -5.562 1.00 53.13 C ATOM 1511 C ALA A 93 19.452 -21.040 -6.403 1.00 10.40 C ATOM 1512 O ALA A 93 19.347 -20.943 -7.628 1.00 73.23 O ATOM 1513 CB ALA A 93 17.594 -22.730 -6.365 1.00 75.54 C ATOM 0 H ALA A 93 17.359 -19.805 -5.642 1.00 53.12 H new ATOM 0 HA ALA A 93 18.794 -22.128 -4.691 1.00 53.13 H new ATOM 0 HB1 ALA A 93 18.306 -23.476 -6.718 1.00 75.54 H new ATOM 0 HB2 ALA A 93 16.848 -23.211 -5.733 1.00 75.54 H new ATOM 0 HB3 ALA A 93 17.101 -22.266 -7.219 1.00 75.54 H new