USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 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 56 HIS : no HD1:sc= 0.376 K(o=-0.18,f=-2.2!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.552 X(o=-0.18,f=-0.095) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.036 X(o=-0.036,f=-0.33) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot -90:sc= 0.887 USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0.973 K(o=1.9,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 134:sc= -0.0677 (180deg=-0.523) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.82 (180deg=-0.0376!) USER MOD Single : A 6 MET CE :methyl 163:sc= -0.0828 (180deg=-0.464) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 13 MET CE :methyl 163:sc= -0.0789 (180deg=-0.507) USER MOD Single : A 16 GLN : amide:sc= -1.35! C(o=-1.4!,f=-3!) USER MOD Single : A 17 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.12) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.733 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 160:sc= -0.135 (180deg=-0.634) USER MOD Single : A 51 SER OG : rot -35:sc= 0.704 USER MOD Single : A 52 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 54 THR OG1 : rot -25:sc= 0.443 USER MOD Single : A 61 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 62 THR OG1 : rot 77:sc= -1.31! USER MOD Single : A 63 ASN : amide:sc= -1.92! C(o=-1.9!,f=-6.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 158:sc= -0.0778 (180deg=-0.698) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc=-0.00851 X(o=-0.0085,f=-0.0085) USER MOD Single : A 78 HIS : no HE2:sc= 0.651 K(o=0.65,f=-2.1!) USER MOD Single : A 79 HIS : no HD1:sc= -0.442 K(o=-0.44,f=-1.1) USER MOD Single : A 80 HIS : no HE2:sc= 0.0238 K(o=0.024,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.429 -9.939 -3.688 1.00 71.04 N ATOM 2 CA MET A 1 16.454 -10.952 -3.195 1.00 23.33 C ATOM 3 C MET A 1 15.712 -11.629 -4.359 1.00 62.23 C ATOM 4 O MET A 1 15.362 -10.980 -5.342 1.00 74.24 O ATOM 5 CB MET A 1 15.429 -10.299 -2.253 1.00 65.42 C ATOM 6 CG MET A 1 16.046 -9.640 -1.026 1.00 44.21 C ATOM 7 SD MET A 1 17.082 -8.222 -1.444 1.00 43.22 S ATOM 8 CE MET A 1 15.862 -7.087 -2.110 1.00 14.53 C ATOM 0 H1 MET A 1 17.660 -9.277 -2.920 1.00 71.04 H new ATOM 0 H2 MET A 1 18.296 -10.417 -4.005 1.00 71.04 H new ATOM 0 H3 MET A 1 17.012 -9.415 -4.484 1.00 71.04 H new ATOM 0 HA MET A 1 17.019 -11.710 -2.652 1.00 23.33 H new ATOM 0 HB2 MET A 1 14.865 -9.551 -2.810 1.00 65.42 H new ATOM 0 HB3 MET A 1 14.717 -11.057 -1.926 1.00 65.42 H new ATOM 0 HG2 MET A 1 15.251 -9.318 -0.353 1.00 44.21 H new ATOM 0 HG3 MET A 1 16.643 -10.375 -0.486 1.00 44.21 H new ATOM 0 HE1 MET A 1 16.018 -6.095 -1.686 1.00 14.53 H new ATOM 0 HE2 MET A 1 15.964 -7.038 -3.194 1.00 14.53 H new ATOM 0 HE3 MET A 1 14.862 -7.437 -1.855 1.00 14.53 H new ATOM 20 N ALA A 2 15.459 -12.934 -4.236 1.00 42.12 N ATOM 21 CA ALA A 2 14.719 -13.676 -5.262 1.00 74.12 C ATOM 22 C ALA A 2 13.209 -13.383 -5.190 1.00 1.51 C ATOM 23 O ALA A 2 12.453 -14.086 -4.514 1.00 0.53 O ATOM 24 CB ALA A 2 14.985 -15.174 -5.131 1.00 44.31 C ATOM 0 H ALA A 2 15.754 -13.498 -3.439 1.00 42.12 H new ATOM 0 HA ALA A 2 15.073 -13.342 -6.237 1.00 74.12 H new ATOM 0 HB1 ALA A 2 14.429 -15.711 -5.899 1.00 44.31 H new ATOM 0 HB2 ALA A 2 16.051 -15.366 -5.253 1.00 44.31 H new ATOM 0 HB3 ALA A 2 14.665 -15.516 -4.146 1.00 44.31 H new ATOM 30 N GLY A 3 12.787 -12.323 -5.872 1.00 13.13 N ATOM 31 CA GLY A 3 11.382 -11.917 -5.873 1.00 24.15 C ATOM 32 C GLY A 3 11.218 -10.402 -5.806 1.00 20.14 C ATOM 33 O GLY A 3 12.177 -9.659 -6.049 1.00 71.22 O ATOM 0 H GLY A 3 13.397 -11.728 -6.432 1.00 13.13 H new ATOM 0 HA2 GLY A 3 10.898 -12.293 -6.774 1.00 24.15 H new ATOM 0 HA3 GLY A 3 10.873 -12.373 -5.024 1.00 24.15 H new ATOM 37 N ASP A 4 10.015 -9.930 -5.489 1.00 20.33 N ATOM 38 CA ASP A 4 9.782 -8.490 -5.348 1.00 21.04 C ATOM 39 C ASP A 4 8.691 -8.176 -4.305 1.00 31.25 C ATOM 40 O ASP A 4 7.495 -8.285 -4.578 1.00 32.50 O ATOM 41 CB ASP A 4 9.413 -7.867 -6.697 1.00 73.22 C ATOM 42 CG ASP A 4 9.496 -6.350 -6.659 1.00 72.31 C ATOM 43 OD1 ASP A 4 8.499 -5.700 -6.287 1.00 31.02 O ATOM 44 OD2 ASP A 4 10.573 -5.804 -6.982 1.00 32.22 O ATOM 0 H ASP A 4 9.194 -10.513 -5.326 1.00 20.33 H new ATOM 0 HA ASP A 4 10.714 -8.051 -4.993 1.00 21.04 H new ATOM 0 HB2 ASP A 4 10.082 -8.248 -7.469 1.00 73.22 H new ATOM 0 HB3 ASP A 4 8.403 -8.169 -6.973 1.00 73.22 H new ATOM 49 N PRO A 5 9.099 -7.809 -3.074 1.00 63.23 N ATOM 50 CA PRO A 5 8.180 -7.310 -2.037 1.00 35.43 C ATOM 51 C PRO A 5 7.807 -5.829 -2.252 1.00 33.44 C ATOM 52 O PRO A 5 6.930 -5.291 -1.576 1.00 14.45 O ATOM 53 CB PRO A 5 8.985 -7.485 -0.728 1.00 40.12 C ATOM 54 CG PRO A 5 10.229 -8.228 -1.117 1.00 15.44 C ATOM 55 CD PRO A 5 10.468 -7.900 -2.562 1.00 54.14 C ATOM 0 HA PRO A 5 7.230 -7.845 -2.040 1.00 35.43 H new ATOM 0 HB2 PRO A 5 9.228 -6.519 -0.285 1.00 40.12 H new ATOM 0 HB3 PRO A 5 8.412 -8.041 0.014 1.00 40.12 H new ATOM 0 HG2 PRO A 5 11.075 -7.922 -0.502 1.00 15.44 H new ATOM 0 HG3 PRO A 5 10.103 -9.301 -0.976 1.00 15.44 H new ATOM 0 HD2 PRO A 5 11.014 -6.965 -2.685 1.00 54.14 H new ATOM 0 HD3 PRO A 5 11.044 -8.675 -3.068 1.00 54.14 H new ATOM 63 N MET A 6 8.464 -5.188 -3.223 1.00 14.34 N ATOM 64 CA MET A 6 8.287 -3.754 -3.479 1.00 44.22 C ATOM 65 C MET A 6 7.017 -3.471 -4.299 1.00 52.02 C ATOM 66 O MET A 6 6.752 -2.326 -4.660 1.00 60.44 O ATOM 67 CB MET A 6 9.514 -3.198 -4.211 1.00 1.22 C ATOM 68 CG MET A 6 10.827 -3.434 -3.479 1.00 34.42 C ATOM 69 SD MET A 6 12.253 -2.778 -4.375 1.00 24.22 S ATOM 70 CE MET A 6 11.902 -1.016 -4.351 1.00 32.50 C ATOM 0 H MET A 6 9.128 -5.643 -3.849 1.00 14.34 H new ATOM 0 HA MET A 6 8.177 -3.258 -2.515 1.00 44.22 H new ATOM 0 HB2 MET A 6 9.573 -3.654 -5.199 1.00 1.22 H new ATOM 0 HB3 MET A 6 9.381 -2.127 -4.362 1.00 1.22 H new ATOM 0 HG2 MET A 6 10.777 -2.970 -2.494 1.00 34.42 H new ATOM 0 HG3 MET A 6 10.963 -4.504 -3.321 1.00 34.42 H new ATOM 0 HE1 MET A 6 12.810 -0.461 -4.587 1.00 32.50 H new ATOM 0 HE2 MET A 6 11.135 -0.788 -5.091 1.00 32.50 H new ATOM 0 HE3 MET A 6 11.548 -0.729 -3.361 1.00 32.50 H new ATOM 80 N THR A 7 6.245 -4.520 -4.588 1.00 22.02 N ATOM 81 CA THR A 7 4.970 -4.393 -5.320 1.00 31.01 C ATOM 82 C THR A 7 4.068 -3.281 -4.753 1.00 75.42 C ATOM 83 O THR A 7 3.383 -2.586 -5.505 1.00 72.11 O ATOM 84 CB THR A 7 4.188 -5.730 -5.310 1.00 55.21 C ATOM 85 OG1 THR A 7 4.115 -6.247 -3.971 1.00 4.01 O ATOM 86 CG2 THR A 7 4.853 -6.760 -6.222 1.00 70.14 C ATOM 0 H THR A 7 6.478 -5.478 -4.326 1.00 22.02 H new ATOM 0 HA THR A 7 5.236 -4.126 -6.343 1.00 31.01 H new ATOM 0 HB THR A 7 3.182 -5.537 -5.682 1.00 55.21 H new ATOM 0 HG1 THR A 7 4.886 -6.828 -3.802 1.00 4.01 H new ATOM 0 HG21 THR A 7 4.284 -7.689 -6.197 1.00 70.14 H new ATOM 0 HG22 THR A 7 4.880 -6.379 -7.243 1.00 70.14 H new ATOM 0 HG23 THR A 7 5.870 -6.948 -5.878 1.00 70.14 H new ATOM 94 N PHE A 8 4.067 -3.115 -3.429 1.00 64.50 N ATOM 95 CA PHE A 8 3.354 -1.997 -2.791 1.00 64.33 C ATOM 96 C PHE A 8 3.836 -0.648 -3.346 1.00 13.32 C ATOM 97 O PHE A 8 3.036 0.206 -3.738 1.00 3.44 O ATOM 98 CB PHE A 8 3.557 -2.043 -1.266 1.00 75.22 C ATOM 99 CG PHE A 8 3.112 -0.789 -0.547 1.00 55.02 C ATOM 100 CD1 PHE A 8 1.772 -0.437 -0.501 1.00 54.22 C ATOM 101 CD2 PHE A 8 4.038 0.037 0.081 1.00 34.03 C ATOM 102 CE1 PHE A 8 1.363 0.710 0.150 1.00 31.13 C ATOM 103 CE2 PHE A 8 3.633 1.184 0.735 1.00 13.13 C ATOM 104 CZ PHE A 8 2.295 1.523 0.769 1.00 54.42 C ATOM 0 H PHE A 8 4.548 -3.735 -2.777 1.00 64.50 H new ATOM 0 HA PHE A 8 2.292 -2.098 -3.015 1.00 64.33 H new ATOM 0 HB2 PHE A 8 3.009 -2.894 -0.863 1.00 75.22 H new ATOM 0 HB3 PHE A 8 4.613 -2.215 -1.056 1.00 75.22 H new ATOM 0 HD1 PHE A 8 1.038 -1.068 -0.981 1.00 54.22 H new ATOM 0 HD2 PHE A 8 5.086 -0.222 0.057 1.00 34.03 H new ATOM 0 HE1 PHE A 8 0.316 0.972 0.176 1.00 31.13 H new ATOM 0 HE2 PHE A 8 4.363 1.816 1.220 1.00 13.13 H new ATOM 0 HZ PHE A 8 1.977 2.421 1.278 1.00 54.42 H new ATOM 114 N TYR A 9 5.152 -0.472 -3.381 1.00 63.33 N ATOM 115 CA TYR A 9 5.757 0.750 -3.909 1.00 45.25 C ATOM 116 C TYR A 9 5.477 0.886 -5.417 1.00 3.24 C ATOM 117 O TYR A 9 5.157 1.965 -5.904 1.00 74.34 O ATOM 118 CB TYR A 9 7.269 0.745 -3.632 1.00 21.12 C ATOM 119 CG TYR A 9 7.980 2.025 -4.028 1.00 23.14 C ATOM 120 CD1 TYR A 9 7.645 3.237 -3.434 1.00 72.12 C ATOM 121 CD2 TYR A 9 8.979 2.027 -4.997 1.00 23.25 C ATOM 122 CE1 TYR A 9 8.283 4.409 -3.789 1.00 34.13 C ATOM 123 CE2 TYR A 9 9.622 3.198 -5.358 1.00 11.24 C ATOM 124 CZ TYR A 9 9.268 4.385 -4.751 1.00 55.41 C ATOM 125 OH TYR A 9 9.899 5.557 -5.111 1.00 0.44 O ATOM 0 H TYR A 9 5.825 -1.163 -3.049 1.00 63.33 H new ATOM 0 HA TYR A 9 5.313 1.610 -3.407 1.00 45.25 H new ATOM 0 HB2 TYR A 9 7.431 0.567 -2.569 1.00 21.12 H new ATOM 0 HB3 TYR A 9 7.722 -0.089 -4.168 1.00 21.12 H new ATOM 0 HD1 TYR A 9 6.871 3.262 -2.681 1.00 72.12 H new ATOM 0 HD2 TYR A 9 9.257 1.099 -5.475 1.00 23.25 H new ATOM 0 HE1 TYR A 9 8.011 5.340 -3.314 1.00 34.13 H new ATOM 0 HE2 TYR A 9 10.396 3.183 -6.111 1.00 11.24 H new ATOM 0 HH TYR A 9 10.569 5.369 -5.801 1.00 0.44 H new ATOM 135 N ASN A 10 5.581 -0.229 -6.139 1.00 71.22 N ATOM 136 CA ASN A 10 5.304 -0.262 -7.583 1.00 11.01 C ATOM 137 C ASN A 10 3.893 0.264 -7.902 1.00 42.42 C ATOM 138 O ASN A 10 3.680 0.931 -8.920 1.00 43.14 O ATOM 139 CB ASN A 10 5.451 -1.697 -8.101 1.00 71.04 C ATOM 140 CG ASN A 10 5.249 -1.810 -9.606 1.00 1.30 C ATOM 141 OD1 ASN A 10 5.603 -0.912 -10.367 1.00 21.40 O ATOM 142 ND2 ASN A 10 4.666 -2.908 -10.050 1.00 14.22 N ATOM 0 H ASN A 10 5.857 -1.130 -5.748 1.00 71.22 H new ATOM 0 HA ASN A 10 6.023 0.389 -8.080 1.00 11.01 H new ATOM 0 HB2 ASN A 10 6.442 -2.070 -7.844 1.00 71.04 H new ATOM 0 HB3 ASN A 10 4.728 -2.336 -7.594 1.00 71.04 H new ATOM 0 HD21 ASN A 10 4.498 -3.028 -11.049 1.00 14.22 H new ATOM 0 HD22 ASN A 10 4.383 -3.636 -9.394 1.00 14.22 H new ATOM 149 N PHE A 11 2.936 -0.047 -7.032 1.00 64.42 N ATOM 150 CA PHE A 11 1.550 0.400 -7.209 1.00 63.02 C ATOM 151 C PHE A 11 1.448 1.934 -7.151 1.00 4.43 C ATOM 152 O PHE A 11 0.974 2.571 -8.094 1.00 5.05 O ATOM 153 CB PHE A 11 0.649 -0.238 -6.140 1.00 10.15 C ATOM 154 CG PHE A 11 -0.828 0.018 -6.345 1.00 2.54 C ATOM 155 CD1 PHE A 11 -1.588 -0.829 -7.142 1.00 30.24 C ATOM 156 CD2 PHE A 11 -1.456 1.100 -5.743 1.00 41.14 C ATOM 157 CE1 PHE A 11 -2.939 -0.603 -7.332 1.00 33.30 C ATOM 158 CE2 PHE A 11 -2.806 1.332 -5.930 1.00 44.14 C ATOM 159 CZ PHE A 11 -3.548 0.480 -6.727 1.00 31.12 C ATOM 0 H PHE A 11 3.092 -0.608 -6.194 1.00 64.42 H new ATOM 0 HA PHE A 11 1.213 0.080 -8.195 1.00 63.02 H new ATOM 0 HB2 PHE A 11 0.822 -1.314 -6.129 1.00 10.15 H new ATOM 0 HB3 PHE A 11 0.940 0.142 -5.161 1.00 10.15 H new ATOM 0 HD1 PHE A 11 -1.117 -1.676 -7.620 1.00 30.24 H new ATOM 0 HD2 PHE A 11 -0.882 1.770 -5.120 1.00 41.14 H new ATOM 0 HE1 PHE A 11 -3.517 -1.272 -7.952 1.00 33.30 H new ATOM 0 HE2 PHE A 11 -3.280 2.178 -5.454 1.00 44.14 H new ATOM 0 HZ PHE A 11 -4.602 0.661 -6.877 1.00 31.12 H new ATOM 169 N ILE A 12 1.917 2.526 -6.049 1.00 34.04 N ATOM 170 CA ILE A 12 1.850 3.984 -5.866 1.00 51.43 C ATOM 171 C ILE A 12 2.717 4.737 -6.899 1.00 64.13 C ATOM 172 O ILE A 12 2.412 5.873 -7.270 1.00 52.31 O ATOM 173 CB ILE A 12 2.250 4.395 -4.422 1.00 60.34 C ATOM 174 CG1 ILE A 12 2.113 5.920 -4.224 1.00 3.42 C ATOM 175 CG2 ILE A 12 3.669 3.931 -4.091 1.00 63.11 C ATOM 176 CD1 ILE A 12 0.712 6.454 -4.465 1.00 41.10 C ATOM 0 H ILE A 12 2.346 2.024 -5.272 1.00 34.04 H new ATOM 0 HA ILE A 12 0.811 4.271 -6.030 1.00 51.43 H new ATOM 0 HB ILE A 12 1.565 3.901 -3.733 1.00 60.34 H new ATOM 0 HG12 ILE A 12 2.416 6.172 -3.208 1.00 3.42 H new ATOM 0 HG13 ILE A 12 2.804 6.426 -4.898 1.00 3.42 H new ATOM 0 HG21 ILE A 12 3.922 4.232 -3.075 1.00 63.11 H new ATOM 0 HG22 ILE A 12 3.725 2.846 -4.173 1.00 63.11 H new ATOM 0 HG23 ILE A 12 4.372 4.384 -4.790 1.00 63.11 H new ATOM 0 HD11 ILE A 12 0.701 7.532 -4.305 1.00 41.10 H new ATOM 0 HD12 ILE A 12 0.411 6.236 -5.490 1.00 41.10 H new ATOM 0 HD13 ILE A 12 0.017 5.978 -3.773 1.00 41.10 H new ATOM 188 N MET A 13 3.785 4.093 -7.379 1.00 43.11 N ATOM 189 CA MET A 13 4.626 4.673 -8.440 1.00 43.04 C ATOM 190 C MET A 13 3.807 4.966 -9.711 1.00 2.23 C ATOM 191 O MET A 13 4.166 5.840 -10.503 1.00 23.12 O ATOM 192 CB MET A 13 5.793 3.738 -8.788 1.00 74.04 C ATOM 193 CG MET A 13 6.844 3.630 -7.693 1.00 15.43 C ATOM 194 SD MET A 13 8.144 2.444 -8.094 1.00 61.22 S ATOM 195 CE MET A 13 8.867 3.207 -9.544 1.00 43.31 C ATOM 0 H MET A 13 4.090 3.175 -7.055 1.00 43.11 H new ATOM 0 HA MET A 13 5.022 5.613 -8.056 1.00 43.04 H new ATOM 0 HB2 MET A 13 5.399 2.744 -8.999 1.00 74.04 H new ATOM 0 HB3 MET A 13 6.270 4.092 -9.702 1.00 74.04 H new ATOM 0 HG2 MET A 13 7.291 4.610 -7.525 1.00 15.43 H new ATOM 0 HG3 MET A 13 6.363 3.335 -6.760 1.00 15.43 H new ATOM 0 HE1 MET A 13 9.850 2.774 -9.731 1.00 43.31 H new ATOM 0 HE2 MET A 13 8.223 3.033 -10.406 1.00 43.31 H new ATOM 0 HE3 MET A 13 8.969 4.280 -9.378 1.00 43.31 H new ATOM 205 N GLY A 14 2.707 4.232 -9.894 1.00 12.44 N ATOM 206 CA GLY A 14 1.825 4.455 -11.037 1.00 55.53 C ATOM 207 C GLY A 14 1.056 5.774 -10.953 1.00 43.22 C ATOM 208 O GLY A 14 0.507 6.250 -11.950 1.00 54.03 O ATOM 0 H GLY A 14 2.409 3.483 -9.269 1.00 12.44 H new ATOM 0 HA2 GLY A 14 2.417 4.444 -11.952 1.00 55.53 H new ATOM 0 HA3 GLY A 14 1.115 3.631 -11.106 1.00 55.53 H new ATOM 212 N PHE A 15 1.018 6.365 -9.758 1.00 40.43 N ATOM 213 CA PHE A 15 0.322 7.641 -9.530 1.00 70.11 C ATOM 214 C PHE A 15 1.304 8.744 -9.087 1.00 42.42 C ATOM 215 O PHE A 15 0.891 9.822 -8.653 1.00 51.23 O ATOM 216 CB PHE A 15 -0.767 7.455 -8.460 1.00 0.40 C ATOM 217 CG PHE A 15 -1.727 6.329 -8.761 1.00 31.04 C ATOM 218 CD1 PHE A 15 -2.798 6.521 -9.623 1.00 51.12 C ATOM 219 CD2 PHE A 15 -1.553 5.077 -8.184 1.00 2.05 C ATOM 220 CE1 PHE A 15 -3.674 5.489 -9.901 1.00 1.52 C ATOM 221 CE2 PHE A 15 -2.427 4.043 -8.459 1.00 2.23 C ATOM 222 CZ PHE A 15 -3.489 4.250 -9.317 1.00 44.34 C ATOM 0 H PHE A 15 1.463 5.980 -8.925 1.00 40.43 H new ATOM 0 HA PHE A 15 -0.134 7.951 -10.470 1.00 70.11 H new ATOM 0 HB2 PHE A 15 -0.290 7.267 -7.498 1.00 0.40 H new ATOM 0 HB3 PHE A 15 -1.329 8.384 -8.361 1.00 0.40 H new ATOM 0 HD1 PHE A 15 -2.948 7.487 -10.081 1.00 51.12 H new ATOM 0 HD2 PHE A 15 -0.724 4.910 -7.512 1.00 2.05 H new ATOM 0 HE1 PHE A 15 -4.503 5.651 -10.574 1.00 1.52 H new ATOM 0 HE2 PHE A 15 -2.280 3.075 -8.004 1.00 2.23 H new ATOM 0 HZ PHE A 15 -4.175 3.444 -9.532 1.00 44.34 H new ATOM 232 N GLN A 16 2.602 8.471 -9.227 1.00 61.34 N ATOM 233 CA GLN A 16 3.655 9.378 -8.740 1.00 34.22 C ATOM 234 C GLN A 16 3.949 10.532 -9.722 1.00 20.20 C ATOM 235 O GLN A 16 4.487 11.569 -9.324 1.00 53.13 O ATOM 236 CB GLN A 16 4.942 8.575 -8.479 1.00 14.33 C ATOM 237 CG GLN A 16 6.111 9.407 -7.952 1.00 41.14 C ATOM 238 CD GLN A 16 5.871 9.960 -6.556 1.00 53.35 C ATOM 239 OE1 GLN A 16 6.210 9.331 -5.564 1.00 43.52 O ATOM 240 NE2 GLN A 16 5.288 11.141 -6.467 1.00 72.52 N ATOM 0 H GLN A 16 2.956 7.626 -9.675 1.00 61.34 H new ATOM 0 HA GLN A 16 3.294 9.830 -7.816 1.00 34.22 H new ATOM 0 HB2 GLN A 16 4.723 7.784 -7.762 1.00 14.33 H new ATOM 0 HB3 GLN A 16 5.247 8.089 -9.406 1.00 14.33 H new ATOM 0 HG2 GLN A 16 7.011 8.792 -7.943 1.00 41.14 H new ATOM 0 HG3 GLN A 16 6.297 10.234 -8.637 1.00 41.14 H new ATOM 0 HE21 GLN A 16 5.017 11.641 -7.314 1.00 72.52 H new ATOM 0 HE22 GLN A 16 5.109 11.554 -5.552 1.00 72.52 H new ATOM 249 N ASN A 17 3.576 10.370 -10.991 1.00 31.44 N ATOM 250 CA ASN A 17 3.939 11.337 -12.045 1.00 45.20 C ATOM 251 C ASN A 17 3.017 12.582 -12.031 1.00 70.14 C ATOM 252 O ASN A 17 2.698 13.152 -13.081 1.00 45.13 O ATOM 253 CB ASN A 17 3.881 10.635 -13.416 1.00 21.24 C ATOM 254 CG ASN A 17 4.789 11.265 -14.468 1.00 0.13 C ATOM 255 OD1 ASN A 17 5.334 10.572 -15.320 1.00 43.45 O ATOM 256 ND2 ASN A 17 4.949 12.572 -14.443 1.00 65.31 N ATOM 0 H ASN A 17 3.022 9.580 -11.322 1.00 31.44 H new ATOM 0 HA ASN A 17 4.952 11.691 -11.853 1.00 45.20 H new ATOM 0 HB2 ASN A 17 4.158 9.588 -13.290 1.00 21.24 H new ATOM 0 HB3 ASN A 17 2.853 10.651 -13.779 1.00 21.24 H new ATOM 0 HD21 ASN A 17 5.536 13.027 -15.142 1.00 65.31 H new ATOM 0 HD22 ASN A 17 4.486 13.129 -13.725 1.00 65.31 H new ATOM 263 N ASP A 18 2.620 13.015 -10.840 1.00 74.53 N ATOM 264 CA ASP A 18 1.772 14.199 -10.682 1.00 74.41 C ATOM 265 C ASP A 18 1.840 14.723 -9.237 1.00 73.44 C ATOM 266 O ASP A 18 1.925 13.936 -8.290 1.00 72.24 O ATOM 267 CB ASP A 18 0.321 13.862 -11.060 1.00 24.22 C ATOM 268 CG ASP A 18 -0.544 15.103 -11.183 1.00 54.45 C ATOM 269 OD1 ASP A 18 -0.445 15.795 -12.219 1.00 13.21 O ATOM 270 OD2 ASP A 18 -1.324 15.395 -10.254 1.00 23.31 O ATOM 0 H ASP A 18 2.872 12.562 -9.961 1.00 74.53 H new ATOM 0 HA ASP A 18 2.137 14.981 -11.348 1.00 74.41 H new ATOM 0 HB2 ASP A 18 0.311 13.319 -12.005 1.00 24.22 H new ATOM 0 HB3 ASP A 18 -0.104 13.199 -10.307 1.00 24.22 H new ATOM 275 N ASN A 19 1.812 16.048 -9.064 1.00 32.53 N ATOM 276 CA ASN A 19 1.851 16.648 -7.724 1.00 54.34 C ATOM 277 C ASN A 19 0.596 16.280 -6.915 1.00 1.14 C ATOM 278 O ASN A 19 -0.428 16.969 -6.968 1.00 13.24 O ATOM 279 CB ASN A 19 1.999 18.173 -7.802 1.00 11.15 C ATOM 280 CG ASN A 19 3.295 18.602 -8.467 1.00 33.41 C ATOM 281 OD1 ASN A 19 4.334 18.699 -7.826 1.00 54.35 O ATOM 282 ND2 ASN A 19 3.245 18.873 -9.755 1.00 71.45 N ATOM 0 H ASN A 19 1.763 16.722 -9.828 1.00 32.53 H new ATOM 0 HA ASN A 19 2.724 16.243 -7.212 1.00 54.34 H new ATOM 0 HB2 ASN A 19 1.157 18.588 -8.355 1.00 11.15 H new ATOM 0 HB3 ASN A 19 1.956 18.590 -6.796 1.00 11.15 H new ATOM 0 HD21 ASN A 19 4.087 19.173 -10.246 1.00 71.45 H new ATOM 0 HD22 ASN A 19 2.364 18.783 -10.261 1.00 71.45 H new ATOM 289 N THR A 20 0.676 15.166 -6.193 1.00 13.30 N ATOM 290 CA THR A 20 -0.434 14.680 -5.367 1.00 65.10 C ATOM 291 C THR A 20 -0.006 14.523 -3.903 1.00 4.51 C ATOM 292 O THR A 20 1.066 13.980 -3.620 1.00 42.11 O ATOM 293 CB THR A 20 -0.962 13.310 -5.869 1.00 63.23 C ATOM 294 OG1 THR A 20 0.044 12.297 -5.701 1.00 44.54 O ATOM 295 CG2 THR A 20 -1.369 13.377 -7.339 1.00 20.04 C ATOM 0 H THR A 20 1.506 14.574 -6.161 1.00 13.30 H new ATOM 0 HA THR A 20 -1.226 15.425 -5.444 1.00 65.10 H new ATOM 0 HB THR A 20 -1.841 13.058 -5.276 1.00 63.23 H new ATOM 0 HG1 THR A 20 -0.301 11.437 -6.020 1.00 44.54 H new ATOM 0 HG21 THR A 20 -1.734 12.402 -7.660 1.00 20.04 H new ATOM 0 HG22 THR A 20 -2.157 14.119 -7.465 1.00 20.04 H new ATOM 0 HG23 THR A 20 -0.506 13.658 -7.943 1.00 20.04 H new ATOM 303 N PRO A 21 -0.829 14.994 -2.944 1.00 34.44 N ATOM 304 CA PRO A 21 -0.565 14.788 -1.506 1.00 10.12 C ATOM 305 C PRO A 21 -0.443 13.297 -1.140 1.00 14.33 C ATOM 306 O PRO A 21 0.140 12.939 -0.116 1.00 42.14 O ATOM 307 CB PRO A 21 -1.792 15.414 -0.822 1.00 60.24 C ATOM 308 CG PRO A 21 -2.334 16.383 -1.820 1.00 61.44 C ATOM 309 CD PRO A 21 -2.061 15.778 -3.171 1.00 33.51 C ATOM 0 HA PRO A 21 0.382 15.233 -1.199 1.00 10.12 H new ATOM 0 HB2 PRO A 21 -2.532 14.655 -0.566 1.00 60.24 H new ATOM 0 HB3 PRO A 21 -1.515 15.915 0.105 1.00 60.24 H new ATOM 0 HG2 PRO A 21 -3.402 16.541 -1.671 1.00 61.44 H new ATOM 0 HG3 PRO A 21 -1.851 17.355 -1.723 1.00 61.44 H new ATOM 0 HD2 PRO A 21 -2.885 15.147 -3.504 1.00 33.51 H new ATOM 0 HD3 PRO A 21 -1.917 16.543 -3.934 1.00 33.51 H new ATOM 317 N PHE A 22 -0.995 12.437 -1.997 1.00 35.23 N ATOM 318 CA PHE A 22 -0.948 10.984 -1.799 1.00 3.12 C ATOM 319 C PHE A 22 0.397 10.396 -2.266 1.00 24.31 C ATOM 320 O PHE A 22 0.983 9.547 -1.591 1.00 12.14 O ATOM 321 CB PHE A 22 -2.109 10.326 -2.554 1.00 70.43 C ATOM 322 CG PHE A 22 -3.465 10.825 -2.119 1.00 21.22 C ATOM 323 CD1 PHE A 22 -4.016 11.967 -2.689 1.00 65.32 C ATOM 324 CD2 PHE A 22 -4.188 10.161 -1.139 1.00 61.43 C ATOM 325 CE1 PHE A 22 -5.255 12.430 -2.292 1.00 74.23 C ATOM 326 CE2 PHE A 22 -5.428 10.621 -0.739 1.00 2.12 C ATOM 327 CZ PHE A 22 -5.963 11.756 -1.318 1.00 2.34 C ATOM 0 H PHE A 22 -1.485 12.724 -2.844 1.00 35.23 H new ATOM 0 HA PHE A 22 -1.044 10.778 -0.733 1.00 3.12 H new ATOM 0 HB2 PHE A 22 -1.988 10.508 -3.622 1.00 70.43 H new ATOM 0 HB3 PHE A 22 -2.063 9.247 -2.408 1.00 70.43 H new ATOM 0 HD1 PHE A 22 -3.468 12.499 -3.452 1.00 65.32 H new ATOM 0 HD2 PHE A 22 -3.776 9.273 -0.683 1.00 61.43 H new ATOM 0 HE1 PHE A 22 -5.670 13.319 -2.744 1.00 74.23 H new ATOM 0 HE2 PHE A 22 -5.979 10.094 0.026 1.00 2.12 H new ATOM 0 HZ PHE A 22 -6.934 12.115 -1.009 1.00 2.34 H new ATOM 337 N GLY A 23 0.888 10.865 -3.419 1.00 52.31 N ATOM 338 CA GLY A 23 2.170 10.396 -3.947 1.00 70.12 C ATOM 339 C GLY A 23 3.336 10.634 -2.987 1.00 60.20 C ATOM 340 O GLY A 23 4.369 9.966 -3.070 1.00 35.11 O ATOM 0 H GLY A 23 0.421 11.562 -3.998 1.00 52.31 H new ATOM 0 HA2 GLY A 23 2.098 9.331 -4.165 1.00 70.12 H new ATOM 0 HA3 GLY A 23 2.375 10.902 -4.891 1.00 70.12 H new ATOM 344 N ILE A 24 3.159 11.585 -2.069 1.00 35.11 N ATOM 345 CA ILE A 24 4.150 11.868 -1.028 1.00 5.53 C ATOM 346 C ILE A 24 4.485 10.603 -0.212 1.00 21.22 C ATOM 347 O ILE A 24 5.571 10.484 0.350 1.00 5.11 O ATOM 348 CB ILE A 24 3.657 12.995 -0.084 1.00 1.43 C ATOM 349 CG1 ILE A 24 3.368 14.275 -0.889 1.00 42.44 C ATOM 350 CG2 ILE A 24 4.687 13.275 1.011 1.00 54.04 C ATOM 351 CD1 ILE A 24 2.873 15.433 -0.044 1.00 54.33 C ATOM 0 H ILE A 24 2.330 12.178 -2.025 1.00 35.11 H new ATOM 0 HA ILE A 24 5.059 12.203 -1.528 1.00 5.53 H new ATOM 0 HB ILE A 24 2.734 12.665 0.393 1.00 1.43 H new ATOM 0 HG12 ILE A 24 4.277 14.579 -1.408 1.00 42.44 H new ATOM 0 HG13 ILE A 24 2.624 14.052 -1.654 1.00 42.44 H new ATOM 0 HG21 ILE A 24 4.320 14.069 1.661 1.00 54.04 H new ATOM 0 HG22 ILE A 24 4.849 12.371 1.598 1.00 54.04 H new ATOM 0 HG23 ILE A 24 5.627 13.585 0.555 1.00 54.04 H new ATOM 0 HD11 ILE A 24 2.692 16.298 -0.682 1.00 54.33 H new ATOM 0 HD12 ILE A 24 1.946 15.149 0.455 1.00 54.33 H new ATOM 0 HD13 ILE A 24 3.625 15.685 0.704 1.00 54.33 H new ATOM 363 N LEU A 25 3.550 9.655 -0.166 1.00 75.21 N ATOM 364 CA LEU A 25 3.792 8.358 0.479 1.00 24.21 C ATOM 365 C LEU A 25 4.989 7.646 -0.177 1.00 13.42 C ATOM 366 O LEU A 25 5.923 7.219 0.509 1.00 31.23 O ATOM 367 CB LEU A 25 2.513 7.496 0.401 1.00 45.25 C ATOM 368 CG LEU A 25 2.524 6.148 1.165 1.00 40.33 C ATOM 369 CD1 LEU A 25 3.290 5.067 0.402 1.00 31.31 C ATOM 370 CD2 LEU A 25 3.099 6.322 2.572 1.00 12.43 C ATOM 0 H LEU A 25 2.617 9.757 -0.566 1.00 75.21 H new ATOM 0 HA LEU A 25 4.039 8.516 1.529 1.00 24.21 H new ATOM 0 HB2 LEU A 25 1.680 8.091 0.776 1.00 45.25 H new ATOM 0 HB3 LEU A 25 2.308 7.288 -0.649 1.00 45.25 H new ATOM 0 HG LEU A 25 1.489 5.819 1.251 1.00 40.33 H new ATOM 0 HD11 LEU A 25 3.273 4.138 0.972 1.00 31.31 H new ATOM 0 HD12 LEU A 25 2.821 4.905 -0.569 1.00 31.31 H new ATOM 0 HD13 LEU A 25 4.322 5.386 0.258 1.00 31.31 H new ATOM 0 HD21 LEU A 25 3.096 5.362 3.088 1.00 12.43 H new ATOM 0 HD22 LEU A 25 4.121 6.694 2.504 1.00 12.43 H new ATOM 0 HD23 LEU A 25 2.490 7.035 3.128 1.00 12.43 H new ATOM 382 N ALA A 26 4.964 7.547 -1.509 1.00 40.21 N ATOM 383 CA ALA A 26 6.057 6.927 -2.266 1.00 50.22 C ATOM 384 C ALA A 26 7.380 7.668 -2.030 1.00 70.03 C ATOM 385 O ALA A 26 8.437 7.052 -1.876 1.00 2.14 O ATOM 386 CB ALA A 26 5.721 6.902 -3.752 1.00 40.10 C ATOM 0 H ALA A 26 4.197 7.889 -2.088 1.00 40.21 H new ATOM 0 HA ALA A 26 6.176 5.902 -1.914 1.00 50.22 H new ATOM 0 HB1 ALA A 26 6.540 6.439 -4.303 1.00 40.10 H new ATOM 0 HB2 ALA A 26 4.808 6.327 -3.909 1.00 40.10 H new ATOM 0 HB3 ALA A 26 5.574 7.921 -4.109 1.00 40.10 H new ATOM 392 N GLU A 27 7.309 8.994 -2.001 1.00 61.51 N ATOM 393 CA GLU A 27 8.467 9.833 -1.683 1.00 31.34 C ATOM 394 C GLU A 27 9.018 9.520 -0.281 1.00 13.21 C ATOM 395 O GLU A 27 10.210 9.266 -0.110 1.00 23.43 O ATOM 396 CB GLU A 27 8.069 11.314 -1.756 1.00 34.34 C ATOM 397 CG GLU A 27 9.150 12.271 -1.261 1.00 75.41 C ATOM 398 CD GLU A 27 8.688 13.719 -1.228 1.00 2.31 C ATOM 399 OE1 GLU A 27 8.150 14.155 -0.188 1.00 33.33 O ATOM 400 OE2 GLU A 27 8.869 14.432 -2.242 1.00 21.42 O ATOM 0 H GLU A 27 6.456 9.518 -2.195 1.00 61.51 H new ATOM 0 HA GLU A 27 9.248 9.620 -2.413 1.00 31.34 H new ATOM 0 HB2 GLU A 27 7.822 11.563 -2.788 1.00 34.34 H new ATOM 0 HB3 GLU A 27 7.165 11.466 -1.166 1.00 34.34 H new ATOM 0 HG2 GLU A 27 9.463 11.972 -0.261 1.00 75.41 H new ATOM 0 HG3 GLU A 27 10.025 12.188 -1.906 1.00 75.41 H new ATOM 407 N HIS A 28 8.131 9.521 0.709 1.00 65.53 N ATOM 408 CA HIS A 28 8.524 9.371 2.111 1.00 31.10 C ATOM 409 C HIS A 28 9.175 8.002 2.377 1.00 71.14 C ATOM 410 O HIS A 28 10.196 7.916 3.060 1.00 24.22 O ATOM 411 CB HIS A 28 7.302 9.570 3.019 1.00 71.50 C ATOM 412 CG HIS A 28 7.652 9.924 4.434 1.00 43.52 C ATOM 413 ND1 HIS A 28 7.721 11.227 4.879 1.00 64.52 N ATOM 414 CD2 HIS A 28 7.945 9.150 5.508 1.00 22.31 C ATOM 415 CE1 HIS A 28 8.040 11.241 6.156 1.00 65.13 C ATOM 416 NE2 HIS A 28 8.182 9.997 6.564 1.00 30.24 N ATOM 0 H HIS A 28 7.126 9.625 0.567 1.00 65.53 H new ATOM 0 HA HIS A 28 9.269 10.134 2.336 1.00 31.10 H new ATOM 0 HB2 HIS A 28 6.675 10.358 2.601 1.00 71.50 H new ATOM 0 HB3 HIS A 28 6.708 8.656 3.019 1.00 71.50 H new ATOM 0 HD2 HIS A 28 7.985 8.071 5.530 1.00 22.31 H new ATOM 0 HE1 HIS A 28 8.164 12.124 6.766 1.00 65.13 H new ATOM 0 HE2 HIS A 28 8.428 9.709 7.511 1.00 30.24 H new ATOM 425 N VAL A 29 8.591 6.930 1.834 1.00 30.14 N ATOM 426 CA VAL A 29 9.173 5.587 1.988 1.00 72.33 C ATOM 427 C VAL A 29 10.524 5.482 1.254 1.00 64.40 C ATOM 428 O VAL A 29 11.409 4.730 1.664 1.00 22.24 O ATOM 429 CB VAL A 29 8.216 4.471 1.491 1.00 3.35 C ATOM 430 CG1 VAL A 29 6.905 4.492 2.280 1.00 63.01 C ATOM 431 CG2 VAL A 29 7.955 4.593 -0.011 1.00 1.24 C ATOM 0 H VAL A 29 7.728 6.960 1.291 1.00 30.14 H new ATOM 0 HA VAL A 29 9.334 5.439 3.056 1.00 72.33 H new ATOM 0 HB VAL A 29 8.701 3.510 1.664 1.00 3.35 H new ATOM 0 HG11 VAL A 29 6.248 3.702 1.916 1.00 63.01 H new ATOM 0 HG12 VAL A 29 7.114 4.331 3.338 1.00 63.01 H new ATOM 0 HG13 VAL A 29 6.417 5.458 2.149 1.00 63.01 H new ATOM 0 HG21 VAL A 29 7.281 3.797 -0.329 1.00 1.24 H new ATOM 0 HG22 VAL A 29 7.500 5.560 -0.224 1.00 1.24 H new ATOM 0 HG23 VAL A 29 8.897 4.508 -0.552 1.00 1.24 H new ATOM 441 N SER A 30 10.668 6.252 0.172 1.00 52.24 N ATOM 442 CA SER A 30 11.947 6.359 -0.550 1.00 70.42 C ATOM 443 C SER A 30 12.966 7.163 0.266 1.00 3.04 C ATOM 444 O SER A 30 14.168 6.893 0.220 1.00 72.03 O ATOM 445 CB SER A 30 11.740 7.023 -1.920 1.00 50.25 C ATOM 446 OG SER A 30 12.976 7.225 -2.598 1.00 61.12 O ATOM 0 H SER A 30 9.915 6.813 -0.227 1.00 52.24 H new ATOM 0 HA SER A 30 12.333 5.351 -0.699 1.00 70.42 H new ATOM 0 HB2 SER A 30 11.087 6.401 -2.531 1.00 50.25 H new ATOM 0 HB3 SER A 30 11.236 7.981 -1.788 1.00 50.25 H new ATOM 0 HG SER A 30 12.808 7.648 -3.466 1.00 61.12 H new ATOM 452 N GLU A 31 12.474 8.162 0.996 1.00 4.23 N ATOM 453 CA GLU A 31 13.303 8.957 1.905 1.00 1.43 C ATOM 454 C GLU A 31 13.878 8.079 3.024 1.00 72.40 C ATOM 455 O GLU A 31 15.056 8.188 3.376 1.00 54.41 O ATOM 456 CB GLU A 31 12.472 10.098 2.509 1.00 32.43 C ATOM 457 CG GLU A 31 13.209 10.913 3.566 1.00 42.41 C ATOM 458 CD GLU A 31 12.312 11.932 4.248 1.00 32.33 C ATOM 459 OE1 GLU A 31 11.390 11.517 4.982 1.00 45.41 O ATOM 460 OE2 GLU A 31 12.532 13.149 4.065 1.00 42.41 O ATOM 0 H GLU A 31 11.494 8.444 0.976 1.00 4.23 H new ATOM 0 HA GLU A 31 14.132 9.378 1.336 1.00 1.43 H new ATOM 0 HB2 GLU A 31 12.154 10.765 1.708 1.00 32.43 H new ATOM 0 HB3 GLU A 31 11.569 9.680 2.953 1.00 32.43 H new ATOM 0 HG2 GLU A 31 13.623 10.239 4.316 1.00 42.41 H new ATOM 0 HG3 GLU A 31 14.050 11.428 3.102 1.00 42.41 H new ATOM 467 N ASP A 32 13.038 7.209 3.575 1.00 4.55 N ATOM 468 CA ASP A 32 13.471 6.245 4.587 1.00 4.03 C ATOM 469 C ASP A 32 14.529 5.273 4.020 1.00 24.12 C ATOM 470 O ASP A 32 15.735 5.484 4.191 1.00 34.32 O ATOM 471 CB ASP A 32 12.257 5.478 5.130 1.00 3.52 C ATOM 472 CG ASP A 32 12.646 4.387 6.114 1.00 51.31 C ATOM 473 OD1 ASP A 32 12.960 4.711 7.278 1.00 33.32 O ATOM 474 OD2 ASP A 32 12.636 3.198 5.730 1.00 42.02 O ATOM 0 H ASP A 32 12.048 7.150 3.338 1.00 4.55 H new ATOM 0 HA ASP A 32 13.938 6.791 5.406 1.00 4.03 H new ATOM 0 HB2 ASP A 32 11.579 6.178 5.619 1.00 3.52 H new ATOM 0 HB3 ASP A 32 11.711 5.034 4.298 1.00 3.52 H new ATOM 479 N LYS A 33 14.075 4.218 3.337 1.00 51.43 N ATOM 480 CA LYS A 33 14.980 3.221 2.738 1.00 61.44 C ATOM 481 C LYS A 33 14.360 2.576 1.492 1.00 41.42 C ATOM 482 O LYS A 33 15.010 2.464 0.452 1.00 41.04 O ATOM 483 CB LYS A 33 15.350 2.115 3.750 1.00 41.04 C ATOM 484 CG LYS A 33 16.136 2.611 4.963 1.00 15.10 C ATOM 485 CD LYS A 33 16.726 1.468 5.788 1.00 43.50 C ATOM 486 CE LYS A 33 17.725 0.642 4.976 1.00 12.20 C ATOM 487 NZ LYS A 33 18.551 -0.247 5.837 1.00 63.44 N ATOM 0 H LYS A 33 13.085 4.028 3.183 1.00 51.43 H new ATOM 0 HA LYS A 33 15.885 3.756 2.448 1.00 61.44 H new ATOM 0 HB2 LYS A 33 14.435 1.634 4.096 1.00 41.04 H new ATOM 0 HB3 LYS A 33 15.937 1.352 3.238 1.00 41.04 H new ATOM 0 HG2 LYS A 33 16.941 3.265 4.627 1.00 15.10 H new ATOM 0 HG3 LYS A 33 15.481 3.210 5.595 1.00 15.10 H new ATOM 0 HD2 LYS A 33 17.221 1.874 6.670 1.00 43.50 H new ATOM 0 HD3 LYS A 33 15.923 0.822 6.142 1.00 43.50 H new ATOM 0 HE2 LYS A 33 17.186 0.039 4.245 1.00 12.20 H new ATOM 0 HE3 LYS A 33 18.378 1.312 4.417 1.00 12.20 H new ATOM 0 HZ1 LYS A 33 19.213 -0.787 5.244 1.00 63.44 H new ATOM 0 HZ2 LYS A 33 19.086 0.329 6.518 1.00 63.44 H new ATOM 0 HZ3 LYS A 33 17.932 -0.905 6.352 1.00 63.44 H new ATOM 501 N ALA A 34 13.104 2.129 1.622 1.00 73.21 N ATOM 502 CA ALA A 34 12.387 1.431 0.539 1.00 54.52 C ATOM 503 C ALA A 34 12.994 0.045 0.246 1.00 40.42 C ATOM 504 O ALA A 34 12.620 -0.620 -0.722 1.00 43.23 O ATOM 505 CB ALA A 34 12.347 2.287 -0.729 1.00 12.43 C ATOM 0 H ALA A 34 12.556 2.239 2.475 1.00 73.21 H new ATOM 0 HA ALA A 34 11.364 1.271 0.879 1.00 54.52 H new ATOM 0 HB1 ALA A 34 11.813 1.751 -1.513 1.00 12.43 H new ATOM 0 HB2 ALA A 34 11.835 3.226 -0.518 1.00 12.43 H new ATOM 0 HB3 ALA A 34 13.365 2.495 -1.060 1.00 12.43 H new ATOM 511 N PHE A 35 13.916 -0.389 1.105 1.00 11.13 N ATOM 512 CA PHE A 35 14.577 -1.689 0.962 1.00 41.43 C ATOM 513 C PHE A 35 13.867 -2.764 1.807 1.00 63.30 C ATOM 514 O PHE A 35 13.690 -2.592 3.014 1.00 64.42 O ATOM 515 CB PHE A 35 16.053 -1.570 1.385 1.00 63.41 C ATOM 516 CG PHE A 35 16.827 -2.863 1.295 1.00 24.34 C ATOM 517 CD1 PHE A 35 17.252 -3.347 0.067 1.00 61.32 C ATOM 518 CD2 PHE A 35 17.129 -3.593 2.437 1.00 3.21 C ATOM 519 CE1 PHE A 35 17.959 -4.530 -0.024 1.00 63.13 C ATOM 520 CE2 PHE A 35 17.839 -4.778 2.352 1.00 15.14 C ATOM 521 CZ PHE A 35 18.252 -5.247 1.120 1.00 51.13 C ATOM 0 H PHE A 35 14.226 0.146 1.916 1.00 11.13 H new ATOM 0 HA PHE A 35 14.524 -1.992 -0.084 1.00 41.43 H new ATOM 0 HB2 PHE A 35 16.540 -0.823 0.758 1.00 63.41 H new ATOM 0 HB3 PHE A 35 16.097 -1.203 2.411 1.00 63.41 H new ATOM 0 HD1 PHE A 35 17.027 -2.791 -0.831 1.00 61.32 H new ATOM 0 HD2 PHE A 35 16.806 -3.232 3.402 1.00 3.21 H new ATOM 0 HE1 PHE A 35 18.282 -4.894 -0.988 1.00 63.13 H new ATOM 0 HE2 PHE A 35 18.070 -5.335 3.248 1.00 15.14 H new ATOM 0 HZ PHE A 35 18.803 -6.173 1.051 1.00 51.13 H new ATOM 531 N PRO A 36 13.452 -3.888 1.180 1.00 4.42 N ATOM 532 CA PRO A 36 12.780 -4.999 1.886 1.00 3.00 C ATOM 533 C PRO A 36 13.633 -5.602 3.021 1.00 12.53 C ATOM 534 O PRO A 36 14.641 -6.273 2.779 1.00 51.02 O ATOM 535 CB PRO A 36 12.538 -6.037 0.777 1.00 50.13 C ATOM 536 CG PRO A 36 12.585 -5.258 -0.496 1.00 71.43 C ATOM 537 CD PRO A 36 13.587 -4.160 -0.262 1.00 1.22 C ATOM 0 HA PRO A 36 11.869 -4.663 2.382 1.00 3.00 H new ATOM 0 HB2 PRO A 36 13.300 -6.816 0.792 1.00 50.13 H new ATOM 0 HB3 PRO A 36 11.575 -6.531 0.902 1.00 50.13 H new ATOM 0 HG2 PRO A 36 12.885 -5.890 -1.332 1.00 71.43 H new ATOM 0 HG3 PRO A 36 11.605 -4.849 -0.741 1.00 71.43 H new ATOM 0 HD2 PRO A 36 14.598 -4.475 -0.520 1.00 1.22 H new ATOM 0 HD3 PRO A 36 13.365 -3.277 -0.862 1.00 1.22 H new ATOM 545 N ARG A 37 13.218 -5.359 4.258 1.00 45.55 N ATOM 546 CA ARG A 37 13.942 -5.845 5.439 1.00 63.00 C ATOM 547 C ARG A 37 13.230 -7.051 6.082 1.00 34.04 C ATOM 548 O ARG A 37 13.875 -7.980 6.572 1.00 3.10 O ATOM 549 CB ARG A 37 14.066 -4.703 6.459 1.00 43.21 C ATOM 550 CG ARG A 37 14.943 -3.537 5.985 1.00 15.40 C ATOM 551 CD ARG A 37 14.526 -2.209 6.618 1.00 11.14 C ATOM 552 NE ARG A 37 13.361 -1.627 5.945 1.00 32.31 N ATOM 553 CZ ARG A 37 12.120 -1.853 6.278 1.00 43.03 C ATOM 554 NH1 ARG A 37 11.828 -2.591 7.297 1.00 73.40 N ATOM 555 NH2 ARG A 37 11.163 -1.326 5.593 1.00 12.11 N ATOM 0 H ARG A 37 12.377 -4.824 4.476 1.00 45.55 H new ATOM 0 HA ARG A 37 14.932 -6.176 5.126 1.00 63.00 H new ATOM 0 HB2 ARG A 37 13.070 -4.325 6.689 1.00 43.21 H new ATOM 0 HB3 ARG A 37 14.478 -5.101 7.386 1.00 43.21 H new ATOM 0 HG2 ARG A 37 15.985 -3.744 6.231 1.00 15.40 H new ATOM 0 HG3 ARG A 37 14.882 -3.456 4.900 1.00 15.40 H new ATOM 0 HD2 ARG A 37 14.296 -2.365 7.672 1.00 11.14 H new ATOM 0 HD3 ARG A 37 15.359 -1.508 6.574 1.00 11.14 H new ATOM 0 HE ARG A 37 13.533 -1.000 5.159 1.00 32.31 H new ATOM 0 HH11 ARG A 37 12.573 -3.007 7.855 1.00 73.40 H new ATOM 0 HH12 ARG A 37 10.852 -2.757 7.543 1.00 73.40 H new ATOM 0 HH21 ARG A 37 11.376 -0.733 4.791 1.00 12.11 H new ATOM 0 HH22 ARG A 37 10.193 -1.502 5.853 1.00 12.11 H new ATOM 569 N LEU A 38 11.900 -7.030 6.062 1.00 33.12 N ATOM 570 CA LEU A 38 11.091 -8.065 6.722 1.00 4.43 C ATOM 571 C LEU A 38 9.687 -8.137 6.100 1.00 75.52 C ATOM 572 O LEU A 38 9.082 -9.205 6.003 1.00 15.02 O ATOM 573 CB LEU A 38 11.014 -7.756 8.237 1.00 60.12 C ATOM 574 CG LEU A 38 10.315 -8.804 9.136 1.00 44.40 C ATOM 575 CD1 LEU A 38 10.757 -8.641 10.589 1.00 21.32 C ATOM 576 CD2 LEU A 38 8.792 -8.695 9.050 1.00 45.11 C ATOM 0 H LEU A 38 11.353 -6.307 5.595 1.00 33.12 H new ATOM 0 HA LEU A 38 11.560 -9.039 6.580 1.00 4.43 H new ATOM 0 HB2 LEU A 38 12.030 -7.618 8.606 1.00 60.12 H new ATOM 0 HB3 LEU A 38 10.497 -6.804 8.362 1.00 60.12 H new ATOM 0 HG LEU A 38 10.609 -9.789 8.774 1.00 44.40 H new ATOM 0 HD11 LEU A 38 10.256 -9.386 11.207 1.00 21.32 H new ATOM 0 HD12 LEU A 38 11.836 -8.778 10.659 1.00 21.32 H new ATOM 0 HD13 LEU A 38 10.495 -7.643 10.939 1.00 21.32 H new ATOM 0 HD21 LEU A 38 8.336 -9.447 9.695 1.00 45.11 H new ATOM 0 HD22 LEU A 38 8.479 -7.702 9.373 1.00 45.11 H new ATOM 0 HD23 LEU A 38 8.473 -8.858 8.021 1.00 45.11 H new ATOM 588 N GLU A 39 9.184 -6.986 5.675 1.00 60.23 N ATOM 589 CA GLU A 39 7.817 -6.860 5.159 1.00 11.54 C ATOM 590 C GLU A 39 7.660 -7.381 3.715 1.00 62.22 C ATOM 591 O GLU A 39 7.274 -6.643 2.808 1.00 1.11 O ATOM 592 CB GLU A 39 7.334 -5.395 5.260 1.00 72.54 C ATOM 593 CG GLU A 39 8.269 -4.348 4.634 1.00 32.10 C ATOM 594 CD GLU A 39 9.481 -4.026 5.497 1.00 70.35 C ATOM 595 OE1 GLU A 39 9.337 -3.251 6.467 1.00 10.40 O ATOM 596 OE2 GLU A 39 10.581 -4.558 5.217 1.00 50.30 O ATOM 0 H GLU A 39 9.707 -6.110 5.676 1.00 60.23 H new ATOM 0 HA GLU A 39 7.190 -7.494 5.786 1.00 11.54 H new ATOM 0 HB2 GLU A 39 6.358 -5.318 4.781 1.00 72.54 H new ATOM 0 HB3 GLU A 39 7.193 -5.148 6.312 1.00 72.54 H new ATOM 0 HG2 GLU A 39 8.609 -4.710 3.664 1.00 32.10 H new ATOM 0 HG3 GLU A 39 7.707 -3.432 4.454 1.00 32.10 H new ATOM 603 N GLU A 40 7.940 -8.668 3.511 1.00 71.32 N ATOM 604 CA GLU A 40 7.657 -9.324 2.226 1.00 10.24 C ATOM 605 C GLU A 40 6.153 -9.607 2.089 1.00 54.31 C ATOM 606 O GLU A 40 5.648 -9.898 1.001 1.00 44.41 O ATOM 607 CB GLU A 40 8.433 -10.644 2.108 1.00 64.11 C ATOM 608 CG GLU A 40 8.075 -11.657 3.191 1.00 45.25 C ATOM 609 CD GLU A 40 8.660 -13.036 2.932 1.00 14.52 C ATOM 610 OE1 GLU A 40 9.854 -13.251 3.234 1.00 2.43 O ATOM 611 OE2 GLU A 40 7.920 -13.918 2.442 1.00 63.44 O ATOM 0 H GLU A 40 8.360 -9.278 4.212 1.00 71.32 H new ATOM 0 HA GLU A 40 7.973 -8.651 1.429 1.00 10.24 H new ATOM 0 HB2 GLU A 40 8.239 -11.085 1.130 1.00 64.11 H new ATOM 0 HB3 GLU A 40 9.502 -10.434 2.156 1.00 64.11 H new ATOM 0 HG2 GLU A 40 8.432 -11.292 4.154 1.00 45.25 H new ATOM 0 HG3 GLU A 40 6.990 -11.736 3.262 1.00 45.25 H new ATOM 618 N ARG A 41 5.453 -9.522 3.217 1.00 10.13 N ATOM 619 CA ARG A 41 4.024 -9.828 3.295 1.00 25.51 C ATOM 620 C ARG A 41 3.185 -8.540 3.274 1.00 13.24 C ATOM 621 O ARG A 41 3.261 -7.721 4.189 1.00 65.23 O ATOM 622 CB ARG A 41 3.764 -10.633 4.578 1.00 55.45 C ATOM 623 CG ARG A 41 4.557 -11.941 4.629 1.00 1.45 C ATOM 624 CD ARG A 41 4.767 -12.448 6.052 1.00 1.43 C ATOM 625 NE ARG A 41 3.515 -12.753 6.736 1.00 62.15 N ATOM 626 CZ ARG A 41 3.438 -13.498 7.806 1.00 34.33 C ATOM 627 NH1 ARG A 41 4.500 -14.055 8.304 1.00 2.35 N ATOM 628 NH2 ARG A 41 2.298 -13.690 8.375 1.00 3.12 N ATOM 0 H ARG A 41 5.861 -9.238 4.108 1.00 10.13 H new ATOM 0 HA ARG A 41 3.729 -10.419 2.428 1.00 25.51 H new ATOM 0 HB2 ARG A 41 4.023 -10.023 5.443 1.00 55.45 H new ATOM 0 HB3 ARG A 41 2.700 -10.856 4.652 1.00 55.45 H new ATOM 0 HG2 ARG A 41 4.033 -12.702 4.051 1.00 1.45 H new ATOM 0 HG3 ARG A 41 5.527 -11.792 4.154 1.00 1.45 H new ATOM 0 HD2 ARG A 41 5.388 -13.343 6.025 1.00 1.43 H new ATOM 0 HD3 ARG A 41 5.314 -11.697 6.623 1.00 1.43 H new ATOM 0 HE ARG A 41 2.652 -12.363 6.358 1.00 62.15 H new ATOM 0 HH11 ARG A 41 5.407 -13.913 7.859 1.00 2.35 H new ATOM 0 HH12 ARG A 41 4.427 -14.635 9.140 1.00 2.35 H new ATOM 0 HH21 ARG A 41 1.457 -13.260 7.990 1.00 3.12 H new ATOM 0 HH22 ARG A 41 2.237 -14.272 9.211 1.00 3.12 H new ATOM 642 N HIS A 42 2.379 -8.380 2.228 1.00 72.11 N ATOM 643 CA HIS A 42 1.582 -7.159 2.020 1.00 62.43 C ATOM 644 C HIS A 42 0.670 -6.850 3.224 1.00 44.45 C ATOM 645 O HIS A 42 0.342 -5.693 3.487 1.00 21.54 O ATOM 646 CB HIS A 42 0.734 -7.307 0.750 1.00 53.15 C ATOM 647 CG HIS A 42 1.528 -7.725 -0.452 1.00 11.02 C ATOM 648 ND1 HIS A 42 1.644 -9.038 -0.858 1.00 15.04 N ATOM 649 CD2 HIS A 42 2.246 -6.998 -1.341 1.00 25.43 C ATOM 650 CE1 HIS A 42 2.397 -9.101 -1.936 1.00 13.04 C ATOM 651 NE2 HIS A 42 2.773 -7.881 -2.251 1.00 64.13 N ATOM 0 H HIS A 42 2.255 -9.084 1.501 1.00 72.11 H new ATOM 0 HA HIS A 42 2.276 -6.325 1.911 1.00 62.43 H new ATOM 0 HB2 HIS A 42 -0.052 -8.041 0.930 1.00 53.15 H new ATOM 0 HB3 HIS A 42 0.241 -6.358 0.539 1.00 53.15 H new ATOM 0 HD2 HIS A 42 2.379 -5.926 -1.335 1.00 25.43 H new ATOM 0 HE1 HIS A 42 2.661 -10.001 -2.471 1.00 13.04 H new ATOM 0 HE2 HIS A 42 3.362 -7.630 -3.045 1.00 64.13 H new ATOM 660 N GLN A 43 0.276 -7.898 3.948 1.00 11.14 N ATOM 661 CA GLN A 43 -0.603 -7.774 5.120 1.00 14.30 C ATOM 662 C GLN A 43 -0.041 -6.804 6.180 1.00 64.11 C ATOM 663 O GLN A 43 -0.769 -5.974 6.727 1.00 23.14 O ATOM 664 CB GLN A 43 -0.816 -9.159 5.751 1.00 45.21 C ATOM 665 CG GLN A 43 -1.750 -9.166 6.959 1.00 15.43 C ATOM 666 CD GLN A 43 -1.913 -10.551 7.570 1.00 24.45 C ATOM 667 OE1 GLN A 43 -1.801 -11.565 6.886 1.00 65.13 O ATOM 668 NE2 GLN A 43 -2.171 -10.608 8.859 1.00 74.33 N ATOM 0 H GLN A 43 0.555 -8.857 3.742 1.00 11.14 H new ATOM 0 HA GLN A 43 -1.551 -7.363 4.774 1.00 14.30 H new ATOM 0 HB2 GLN A 43 -1.217 -9.832 4.993 1.00 45.21 H new ATOM 0 HB3 GLN A 43 0.152 -9.560 6.053 1.00 45.21 H new ATOM 0 HG2 GLN A 43 -1.363 -8.483 7.716 1.00 15.43 H new ATOM 0 HG3 GLN A 43 -2.728 -8.789 6.659 1.00 15.43 H new ATOM 0 HE21 GLN A 43 -2.258 -9.748 9.400 1.00 74.33 H new ATOM 0 HE22 GLN A 43 -2.284 -11.512 9.317 1.00 74.33 H new ATOM 677 N VAL A 44 1.259 -6.910 6.460 1.00 31.24 N ATOM 678 CA VAL A 44 1.884 -6.113 7.525 1.00 11.32 C ATOM 679 C VAL A 44 2.109 -4.648 7.108 1.00 14.00 C ATOM 680 O VAL A 44 2.245 -3.772 7.962 1.00 50.53 O ATOM 681 CB VAL A 44 3.230 -6.730 7.996 1.00 72.12 C ATOM 682 CG1 VAL A 44 3.020 -8.146 8.533 1.00 74.42 C ATOM 683 CG2 VAL A 44 4.267 -6.718 6.874 1.00 61.52 C ATOM 0 H VAL A 44 1.899 -7.535 5.970 1.00 31.24 H new ATOM 0 HA VAL A 44 1.179 -6.128 8.356 1.00 11.32 H new ATOM 0 HB VAL A 44 3.615 -6.113 8.808 1.00 72.12 H new ATOM 0 HG11 VAL A 44 3.976 -8.558 8.857 1.00 74.42 H new ATOM 0 HG12 VAL A 44 2.333 -8.116 9.378 1.00 74.42 H new ATOM 0 HG13 VAL A 44 2.602 -8.775 7.747 1.00 74.42 H new ATOM 0 HG21 VAL A 44 5.198 -7.156 7.234 1.00 61.52 H new ATOM 0 HG22 VAL A 44 3.896 -7.298 6.029 1.00 61.52 H new ATOM 0 HG23 VAL A 44 4.448 -5.691 6.557 1.00 61.52 H new ATOM 693 N ILE A 45 2.132 -4.384 5.799 1.00 54.34 N ATOM 694 CA ILE A 45 2.331 -3.019 5.282 1.00 51.51 C ATOM 695 C ILE A 45 1.280 -2.053 5.855 1.00 61.42 C ATOM 696 O ILE A 45 1.605 -0.958 6.323 1.00 51.24 O ATOM 697 CB ILE A 45 2.261 -2.985 3.730 1.00 72.32 C ATOM 698 CG1 ILE A 45 3.322 -3.916 3.115 1.00 53.33 C ATOM 699 CG2 ILE A 45 2.428 -1.555 3.208 1.00 72.11 C ATOM 700 CD1 ILE A 45 4.748 -3.516 3.428 1.00 43.15 C ATOM 0 H ILE A 45 2.016 -5.093 5.075 1.00 54.34 H new ATOM 0 HA ILE A 45 3.324 -2.701 5.599 1.00 51.51 H new ATOM 0 HB ILE A 45 1.277 -3.344 3.428 1.00 72.32 H new ATOM 0 HG12 ILE A 45 3.153 -4.931 3.475 1.00 53.33 H new ATOM 0 HG13 ILE A 45 3.190 -3.936 2.033 1.00 53.33 H new ATOM 0 HG21 ILE A 45 2.375 -1.557 2.119 1.00 72.11 H new ATOM 0 HG22 ILE A 45 1.633 -0.926 3.609 1.00 72.11 H new ATOM 0 HG23 ILE A 45 3.395 -1.163 3.524 1.00 72.11 H new ATOM 0 HD11 ILE A 45 5.435 -4.221 2.959 1.00 43.15 H new ATOM 0 HD12 ILE A 45 4.938 -2.514 3.043 1.00 43.15 H new ATOM 0 HD13 ILE A 45 4.900 -3.525 4.507 1.00 43.15 H new ATOM 712 N ARG A 46 0.018 -2.479 5.818 1.00 30.45 N ATOM 713 CA ARG A 46 -1.091 -1.706 6.392 1.00 3.23 C ATOM 714 C ARG A 46 -0.855 -1.413 7.885 1.00 44.32 C ATOM 715 O ARG A 46 -1.155 -0.317 8.370 1.00 54.32 O ATOM 716 CB ARG A 46 -2.416 -2.470 6.168 1.00 60.13 C ATOM 717 CG ARG A 46 -3.638 -1.897 6.898 1.00 53.03 C ATOM 718 CD ARG A 46 -3.835 -2.543 8.269 1.00 34.32 C ATOM 719 NE ARG A 46 -4.999 -2.009 8.969 1.00 32.15 N ATOM 720 CZ ARG A 46 -5.450 -2.480 10.098 1.00 12.35 C ATOM 721 NH1 ARG A 46 -4.899 -3.513 10.653 1.00 13.33 N ATOM 722 NH2 ARG A 46 -6.473 -1.929 10.663 1.00 1.04 N ATOM 0 H ARG A 46 -0.267 -3.362 5.394 1.00 30.45 H new ATOM 0 HA ARG A 46 -1.151 -0.741 5.888 1.00 3.23 H new ATOM 0 HB2 ARG A 46 -2.628 -2.489 5.099 1.00 60.13 H new ATOM 0 HB3 ARG A 46 -2.277 -3.504 6.484 1.00 60.13 H new ATOM 0 HG2 ARG A 46 -3.518 -0.820 7.017 1.00 53.03 H new ATOM 0 HG3 ARG A 46 -4.530 -2.053 6.291 1.00 53.03 H new ATOM 0 HD2 ARG A 46 -3.949 -3.620 8.148 1.00 34.32 H new ATOM 0 HD3 ARG A 46 -2.944 -2.383 8.875 1.00 34.32 H new ATOM 0 HE ARG A 46 -5.490 -1.219 8.549 1.00 32.15 H new ATOM 0 HH11 ARG A 46 -4.103 -3.968 10.207 1.00 13.33 H new ATOM 0 HH12 ARG A 46 -5.262 -3.871 11.536 1.00 13.33 H new ATOM 0 HH21 ARG A 46 -6.927 -1.127 10.226 1.00 1.04 H new ATOM 0 HH22 ARG A 46 -6.827 -2.296 11.546 1.00 1.04 H new ATOM 736 N ALA A 47 -0.307 -2.391 8.602 1.00 30.52 N ATOM 737 CA ALA A 47 -0.007 -2.238 10.027 1.00 44.31 C ATOM 738 C ALA A 47 1.110 -1.206 10.266 1.00 30.22 C ATOM 739 O ALA A 47 1.006 -0.368 11.162 1.00 42.22 O ATOM 740 CB ALA A 47 0.378 -3.587 10.630 1.00 25.40 C ATOM 0 H ALA A 47 -0.060 -3.303 8.219 1.00 30.52 H new ATOM 0 HA ALA A 47 -0.906 -1.868 10.519 1.00 44.31 H new ATOM 0 HB1 ALA A 47 0.599 -3.462 11.690 1.00 25.40 H new ATOM 0 HB2 ALA A 47 -0.449 -4.288 10.512 1.00 25.40 H new ATOM 0 HB3 ALA A 47 1.259 -3.976 10.119 1.00 25.40 H new ATOM 746 N TYR A 48 2.172 -1.266 9.455 1.00 4.45 N ATOM 747 CA TYR A 48 3.311 -0.340 9.586 1.00 74.24 C ATOM 748 C TYR A 48 2.868 1.131 9.656 1.00 63.21 C ATOM 749 O TYR A 48 3.149 1.828 10.633 1.00 65.34 O ATOM 750 CB TYR A 48 4.299 -0.523 8.420 1.00 64.22 C ATOM 751 CG TYR A 48 5.341 -1.599 8.658 1.00 50.35 C ATOM 752 CD1 TYR A 48 6.452 -1.345 9.457 1.00 54.12 C ATOM 753 CD2 TYR A 48 5.223 -2.860 8.085 1.00 4.12 C ATOM 754 CE1 TYR A 48 7.410 -2.312 9.676 1.00 53.24 C ATOM 755 CE2 TYR A 48 6.178 -3.834 8.302 1.00 52.04 C ATOM 756 CZ TYR A 48 7.269 -3.555 9.098 1.00 31.12 C ATOM 757 OH TYR A 48 8.226 -4.519 9.312 1.00 71.53 O ATOM 0 H TYR A 48 2.270 -1.945 8.700 1.00 4.45 H new ATOM 0 HA TYR A 48 3.803 -0.586 10.527 1.00 74.24 H new ATOM 0 HB2 TYR A 48 3.739 -0.767 7.517 1.00 64.22 H new ATOM 0 HB3 TYR A 48 4.805 0.424 8.234 1.00 64.22 H new ATOM 0 HD1 TYR A 48 6.566 -0.373 9.914 1.00 54.12 H new ATOM 0 HD2 TYR A 48 4.371 -3.082 7.460 1.00 4.12 H new ATOM 0 HE1 TYR A 48 8.267 -2.096 10.297 1.00 53.24 H new ATOM 0 HE2 TYR A 48 6.071 -4.809 7.851 1.00 52.04 H new ATOM 0 HH TYR A 48 7.977 -5.338 8.835 1.00 71.53 H new ATOM 767 N VAL A 49 2.176 1.598 8.621 1.00 41.31 N ATOM 768 CA VAL A 49 1.777 3.007 8.541 1.00 51.13 C ATOM 769 C VAL A 49 0.848 3.418 9.695 1.00 11.33 C ATOM 770 O VAL A 49 1.029 4.479 10.294 1.00 44.22 O ATOM 771 CB VAL A 49 1.104 3.339 7.183 1.00 4.42 C ATOM 772 CG1 VAL A 49 2.086 3.104 6.034 1.00 45.52 C ATOM 773 CG2 VAL A 49 -0.177 2.526 6.986 1.00 73.11 C ATOM 0 H VAL A 49 1.879 1.029 7.828 1.00 41.31 H new ATOM 0 HA VAL A 49 2.698 3.584 8.625 1.00 51.13 H new ATOM 0 HB VAL A 49 0.825 4.393 7.188 1.00 4.42 H new ATOM 0 HG11 VAL A 49 1.601 3.341 5.087 1.00 45.52 H new ATOM 0 HG12 VAL A 49 2.959 3.744 6.165 1.00 45.52 H new ATOM 0 HG13 VAL A 49 2.399 2.060 6.031 1.00 45.52 H new ATOM 0 HG21 VAL A 49 -0.626 2.781 6.026 1.00 73.11 H new ATOM 0 HG22 VAL A 49 0.061 1.462 7.005 1.00 73.11 H new ATOM 0 HG23 VAL A 49 -0.880 2.755 7.787 1.00 73.11 H new ATOM 783 N MET A 50 -0.121 2.567 10.027 1.00 42.51 N ATOM 784 CA MET A 50 -1.076 2.869 11.099 1.00 14.11 C ATOM 785 C MET A 50 -0.413 2.804 12.487 1.00 23.35 C ATOM 786 O MET A 50 -0.854 3.464 13.428 1.00 20.12 O ATOM 787 CB MET A 50 -2.268 1.903 11.037 1.00 45.00 C ATOM 788 CG MET A 50 -3.075 2.009 9.747 1.00 74.42 C ATOM 789 SD MET A 50 -4.483 0.881 9.703 1.00 23.14 S ATOM 790 CE MET A 50 -5.441 1.467 11.098 1.00 55.11 C ATOM 0 H MET A 50 -0.268 1.666 9.573 1.00 42.51 H new ATOM 0 HA MET A 50 -1.431 3.888 10.947 1.00 14.11 H new ATOM 0 HB2 MET A 50 -1.903 0.882 11.144 1.00 45.00 H new ATOM 0 HB3 MET A 50 -2.926 2.097 11.884 1.00 45.00 H new ATOM 0 HG2 MET A 50 -3.432 3.032 9.631 1.00 74.42 H new ATOM 0 HG3 MET A 50 -2.423 1.801 8.899 1.00 74.42 H new ATOM 0 HE1 MET A 50 -6.473 1.131 10.998 1.00 55.11 H new ATOM 0 HE2 MET A 50 -5.019 1.071 12.022 1.00 55.11 H new ATOM 0 HE3 MET A 50 -5.415 2.556 11.125 1.00 55.11 H new ATOM 800 N SER A 51 0.653 2.012 12.604 1.00 11.33 N ATOM 801 CA SER A 51 1.361 1.837 13.884 1.00 24.43 C ATOM 802 C SER A 51 2.572 2.775 14.011 1.00 22.03 C ATOM 803 O SER A 51 3.314 2.712 14.990 1.00 34.43 O ATOM 804 CB SER A 51 1.821 0.381 14.042 1.00 54.40 C ATOM 805 OG SER A 51 2.378 0.149 15.327 1.00 35.22 O ATOM 0 H SER A 51 1.050 1.479 11.830 1.00 11.33 H new ATOM 0 HA SER A 51 0.657 2.091 14.676 1.00 24.43 H new ATOM 0 HB2 SER A 51 0.975 -0.288 13.884 1.00 54.40 H new ATOM 0 HB3 SER A 51 2.560 0.146 13.276 1.00 54.40 H new ATOM 0 HG SER A 51 2.859 0.949 15.625 1.00 35.22 H new ATOM 811 N ASN A 52 2.775 3.640 13.020 1.00 31.10 N ATOM 812 CA ASN A 52 3.883 4.609 13.050 1.00 41.11 C ATOM 813 C ASN A 52 3.418 6.026 12.681 1.00 21.51 C ATOM 814 O ASN A 52 3.424 6.928 13.520 1.00 32.52 O ATOM 815 CB ASN A 52 5.010 4.176 12.102 1.00 43.13 C ATOM 816 CG ASN A 52 5.812 3.007 12.641 1.00 73.01 C ATOM 817 OD1 ASN A 52 6.797 3.187 13.350 1.00 54.01 O ATOM 818 ND2 ASN A 52 5.404 1.802 12.309 1.00 42.20 N ATOM 0 H ASN A 52 2.192 3.695 12.185 1.00 31.10 H new ATOM 0 HA ASN A 52 4.257 4.630 14.074 1.00 41.11 H new ATOM 0 HB2 ASN A 52 4.583 3.904 11.137 1.00 43.13 H new ATOM 0 HB3 ASN A 52 5.678 5.020 11.929 1.00 43.13 H new ATOM 0 HD21 ASN A 52 5.911 0.982 12.643 1.00 42.20 H new ATOM 0 HD22 ASN A 52 4.581 1.687 11.718 1.00 42.20 H new ATOM 825 N TYR A 53 3.010 6.211 11.427 1.00 4.54 N ATOM 826 CA TYR A 53 2.658 7.541 10.916 1.00 41.53 C ATOM 827 C TYR A 53 1.333 8.046 11.496 1.00 51.21 C ATOM 828 O TYR A 53 0.415 7.271 11.757 1.00 21.42 O ATOM 829 CB TYR A 53 2.556 7.523 9.384 1.00 0.41 C ATOM 830 CG TYR A 53 3.820 7.081 8.673 1.00 4.21 C ATOM 831 CD1 TYR A 53 4.903 7.941 8.533 1.00 4.41 C ATOM 832 CD2 TYR A 53 3.924 5.806 8.130 1.00 74.24 C ATOM 833 CE1 TYR A 53 6.047 7.542 7.870 1.00 24.52 C ATOM 834 CE2 TYR A 53 5.065 5.399 7.470 1.00 33.30 C ATOM 835 CZ TYR A 53 6.125 6.268 7.341 1.00 73.40 C ATOM 836 OH TYR A 53 7.259 5.866 6.676 1.00 44.45 O ATOM 0 H TYR A 53 2.914 5.460 10.744 1.00 4.54 H new ATOM 0 HA TYR A 53 3.454 8.218 11.228 1.00 41.53 H new ATOM 0 HB2 TYR A 53 1.741 6.859 9.095 1.00 0.41 H new ATOM 0 HB3 TYR A 53 2.291 8.522 9.039 1.00 0.41 H new ATOM 0 HD1 TYR A 53 4.849 8.936 8.949 1.00 4.41 H new ATOM 0 HD2 TYR A 53 3.095 5.120 8.227 1.00 74.24 H new ATOM 0 HE1 TYR A 53 6.878 8.224 7.765 1.00 24.52 H new ATOM 0 HE2 TYR A 53 5.126 4.403 7.056 1.00 33.30 H new ATOM 0 HH TYR A 53 7.148 4.942 6.369 1.00 44.45 H new ATOM 846 N THR A 54 1.249 9.355 11.701 1.00 5.05 N ATOM 847 CA THR A 54 -0.015 10.005 12.072 1.00 63.30 C ATOM 848 C THR A 54 -0.576 10.799 10.885 1.00 25.10 C ATOM 849 O THR A 54 -1.702 11.293 10.925 1.00 34.13 O ATOM 850 CB THR A 54 0.161 10.956 13.284 1.00 24.34 C ATOM 851 OG1 THR A 54 -1.090 11.587 13.618 1.00 3.12 O ATOM 852 CG2 THR A 54 1.218 12.026 13.005 1.00 64.31 C ATOM 0 H THR A 54 2.040 9.994 11.618 1.00 5.05 H new ATOM 0 HA THR A 54 -0.713 9.216 12.352 1.00 63.30 H new ATOM 0 HB THR A 54 0.496 10.352 14.127 1.00 24.34 H new ATOM 0 HG1 THR A 54 -1.667 11.608 12.826 1.00 3.12 H new ATOM 0 HG21 THR A 54 1.316 12.676 13.875 1.00 64.31 H new ATOM 0 HG22 THR A 54 2.175 11.547 12.800 1.00 64.31 H new ATOM 0 HG23 THR A 54 0.916 12.619 12.141 1.00 64.31 H new ATOM 860 N ASP A 55 0.230 10.909 9.832 1.00 62.01 N ATOM 861 CA ASP A 55 -0.138 11.649 8.623 1.00 5.34 C ATOM 862 C ASP A 55 -1.278 10.950 7.865 1.00 34.33 C ATOM 863 O ASP A 55 -1.071 9.903 7.247 1.00 61.24 O ATOM 864 CB ASP A 55 1.084 11.776 7.712 1.00 73.20 C ATOM 865 CG ASP A 55 2.312 12.247 8.463 1.00 5.25 C ATOM 866 OD1 ASP A 55 2.904 11.433 9.207 1.00 63.41 O ATOM 867 OD2 ASP A 55 2.684 13.427 8.324 1.00 53.14 O ATOM 0 H ASP A 55 1.158 10.488 9.791 1.00 62.01 H new ATOM 0 HA ASP A 55 -0.486 12.638 8.920 1.00 5.34 H new ATOM 0 HB2 ASP A 55 1.291 10.811 7.249 1.00 73.20 H new ATOM 0 HB3 ASP A 55 0.863 12.476 6.906 1.00 73.20 H new ATOM 872 N HIS A 56 -2.472 11.537 7.903 1.00 4.15 N ATOM 873 CA HIS A 56 -3.651 10.933 7.267 1.00 35.14 C ATOM 874 C HIS A 56 -3.411 10.630 5.777 1.00 61.31 C ATOM 875 O HIS A 56 -3.850 9.600 5.273 1.00 1.22 O ATOM 876 CB HIS A 56 -4.871 11.846 7.431 1.00 25.55 C ATOM 877 CG HIS A 56 -6.141 11.243 6.904 1.00 3.13 C ATOM 878 ND1 HIS A 56 -6.906 10.352 7.624 1.00 10.44 N ATOM 879 CD2 HIS A 56 -6.769 11.390 5.712 1.00 13.32 C ATOM 880 CE1 HIS A 56 -7.944 9.979 6.903 1.00 72.42 C ATOM 881 NE2 HIS A 56 -7.886 10.592 5.740 1.00 43.04 N ATOM 0 H HIS A 56 -2.653 12.428 8.365 1.00 4.15 H new ATOM 0 HA HIS A 56 -3.841 9.984 7.769 1.00 35.14 H new ATOM 0 HB2 HIS A 56 -5.000 12.081 8.487 1.00 25.55 H new ATOM 0 HB3 HIS A 56 -4.683 12.788 6.915 1.00 25.55 H new ATOM 0 HD2 HIS A 56 -6.450 12.018 4.893 1.00 13.32 H new ATOM 0 HE1 HIS A 56 -8.713 9.287 7.214 1.00 72.42 H new ATOM 0 HE2 HIS A 56 -8.561 10.491 4.982 1.00 43.04 H new ATOM 890 N GLN A 57 -2.714 11.526 5.082 1.00 71.22 N ATOM 891 CA GLN A 57 -2.406 11.330 3.658 1.00 64.30 C ATOM 892 C GLN A 57 -1.499 10.108 3.427 1.00 51.43 C ATOM 893 O GLN A 57 -1.714 9.338 2.493 1.00 21.34 O ATOM 894 CB GLN A 57 -1.756 12.592 3.065 1.00 55.00 C ATOM 895 CG GLN A 57 -2.743 13.715 2.742 1.00 75.24 C ATOM 896 CD GLN A 57 -3.513 14.218 3.953 1.00 13.41 C ATOM 897 OE1 GLN A 57 -3.072 15.118 4.655 1.00 64.10 O ATOM 898 NE2 GLN A 57 -4.677 13.651 4.198 1.00 23.22 N ATOM 0 H GLN A 57 -2.351 12.394 5.476 1.00 71.22 H new ATOM 0 HA GLN A 57 -3.351 11.142 3.148 1.00 64.30 H new ATOM 0 HB2 GLN A 57 -1.013 12.968 3.768 1.00 55.00 H new ATOM 0 HB3 GLN A 57 -1.224 12.319 2.154 1.00 55.00 H new ATOM 0 HG2 GLN A 57 -2.199 14.548 2.296 1.00 75.24 H new ATOM 0 HG3 GLN A 57 -3.451 13.360 1.994 1.00 75.24 H new ATOM 0 HE21 GLN A 57 -5.017 12.903 3.594 1.00 23.22 H new ATOM 0 HE22 GLN A 57 -5.238 13.960 4.992 1.00 23.22 H new ATOM 907 N LEU A 58 -0.490 9.926 4.281 1.00 51.43 N ATOM 908 CA LEU A 58 0.429 8.788 4.144 1.00 5.22 C ATOM 909 C LEU A 58 -0.278 7.462 4.473 1.00 71.21 C ATOM 910 O LEU A 58 -0.104 6.457 3.779 1.00 55.44 O ATOM 911 CB LEU A 58 1.660 8.967 5.049 1.00 22.42 C ATOM 912 CG LEU A 58 2.494 10.238 4.791 1.00 13.50 C ATOM 913 CD1 LEU A 58 3.741 10.257 5.674 1.00 73.11 C ATOM 914 CD2 LEU A 58 2.879 10.352 3.318 1.00 11.10 C ATOM 0 H LEU A 58 -0.287 10.543 5.068 1.00 51.43 H new ATOM 0 HA LEU A 58 0.759 8.754 3.106 1.00 5.22 H new ATOM 0 HB2 LEU A 58 1.328 8.976 6.087 1.00 22.42 H new ATOM 0 HB3 LEU A 58 2.307 8.098 4.929 1.00 22.42 H new ATOM 0 HG LEU A 58 1.878 11.100 5.048 1.00 13.50 H new ATOM 0 HD11 LEU A 58 4.314 11.163 5.475 1.00 73.11 H new ATOM 0 HD12 LEU A 58 3.445 10.238 6.723 1.00 73.11 H new ATOM 0 HD13 LEU A 58 4.355 9.384 5.455 1.00 73.11 H new ATOM 0 HD21 LEU A 58 3.466 11.257 3.164 1.00 11.10 H new ATOM 0 HD22 LEU A 58 3.469 9.483 3.028 1.00 11.10 H new ATOM 0 HD23 LEU A 58 1.976 10.398 2.709 1.00 11.10 H new ATOM 926 N ILE A 59 -1.083 7.470 5.531 1.00 44.12 N ATOM 927 CA ILE A 59 -1.838 6.279 5.937 1.00 31.41 C ATOM 928 C ILE A 59 -2.896 5.896 4.885 1.00 74.44 C ATOM 929 O ILE A 59 -2.890 4.776 4.367 1.00 55.35 O ATOM 930 CB ILE A 59 -2.535 6.493 7.307 1.00 24.34 C ATOM 931 CG1 ILE A 59 -1.499 6.857 8.386 1.00 33.15 C ATOM 932 CG2 ILE A 59 -3.325 5.245 7.711 1.00 4.04 C ATOM 933 CD1 ILE A 59 -2.111 7.180 9.734 1.00 72.21 C ATOM 0 H ILE A 59 -1.232 8.285 6.125 1.00 44.12 H new ATOM 0 HA ILE A 59 -1.117 5.466 6.026 1.00 31.41 H new ATOM 0 HB ILE A 59 -3.236 7.322 7.212 1.00 24.34 H new ATOM 0 HG12 ILE A 59 -0.802 6.027 8.503 1.00 33.15 H new ATOM 0 HG13 ILE A 59 -0.919 7.715 8.045 1.00 33.15 H new ATOM 0 HG21 ILE A 59 -3.806 5.415 8.674 1.00 4.04 H new ATOM 0 HG22 ILE A 59 -4.085 5.036 6.958 1.00 4.04 H new ATOM 0 HG23 ILE A 59 -2.647 4.395 7.789 1.00 4.04 H new ATOM 0 HD11 ILE A 59 -1.320 7.427 10.443 1.00 72.21 H new ATOM 0 HD12 ILE A 59 -2.786 8.030 9.633 1.00 72.21 H new ATOM 0 HD13 ILE A 59 -2.667 6.316 10.097 1.00 72.21 H new ATOM 945 N GLU A 60 -3.779 6.845 4.557 1.00 10.55 N ATOM 946 CA GLU A 60 -4.898 6.597 3.632 1.00 55.21 C ATOM 947 C GLU A 60 -4.418 6.037 2.283 1.00 5.14 C ATOM 948 O GLU A 60 -5.006 5.094 1.744 1.00 2.41 O ATOM 949 CB GLU A 60 -5.709 7.884 3.415 1.00 54.31 C ATOM 950 CG GLU A 60 -6.973 7.688 2.577 1.00 53.31 C ATOM 951 CD GLU A 60 -7.824 8.946 2.491 1.00 73.34 C ATOM 952 OE1 GLU A 60 -8.611 9.201 3.427 1.00 42.34 O ATOM 953 OE2 GLU A 60 -7.709 9.691 1.494 1.00 73.23 O ATOM 0 H GLU A 60 -3.743 7.798 4.919 1.00 10.55 H new ATOM 0 HA GLU A 60 -5.537 5.843 4.091 1.00 55.21 H new ATOM 0 HB2 GLU A 60 -5.989 8.293 4.386 1.00 54.31 H new ATOM 0 HB3 GLU A 60 -5.074 8.624 2.928 1.00 54.31 H new ATOM 0 HG2 GLU A 60 -6.692 7.376 1.571 1.00 53.31 H new ATOM 0 HG3 GLU A 60 -7.567 6.882 3.007 1.00 53.31 H new ATOM 960 N THR A 61 -3.348 6.616 1.745 1.00 43.34 N ATOM 961 CA THR A 61 -2.753 6.133 0.490 1.00 42.54 C ATOM 962 C THR A 61 -2.357 4.651 0.595 1.00 61.44 C ATOM 963 O THR A 61 -2.536 3.879 -0.348 1.00 10.33 O ATOM 964 CB THR A 61 -1.499 6.955 0.102 1.00 51.44 C ATOM 965 OG1 THR A 61 -1.844 8.338 -0.045 1.00 61.24 O ATOM 966 CG2 THR A 61 -0.875 6.452 -1.200 1.00 45.43 C ATOM 0 H THR A 61 -2.871 7.420 2.154 1.00 43.34 H new ATOM 0 HA THR A 61 -3.514 6.253 -0.281 1.00 42.54 H new ATOM 0 HB THR A 61 -0.769 6.835 0.902 1.00 51.44 H new ATOM 0 HG1 THR A 61 -1.714 8.800 0.809 1.00 61.24 H new ATOM 0 HG21 THR A 61 0.002 7.053 -1.439 1.00 45.43 H new ATOM 0 HG22 THR A 61 -0.579 5.409 -1.083 1.00 45.43 H new ATOM 0 HG23 THR A 61 -1.602 6.534 -2.008 1.00 45.43 H new ATOM 974 N THR A 62 -1.843 4.259 1.760 1.00 41.54 N ATOM 975 CA THR A 62 -1.369 2.887 1.981 1.00 42.35 C ATOM 976 C THR A 62 -2.513 1.862 1.953 1.00 33.12 C ATOM 977 O THR A 62 -2.473 0.903 1.177 1.00 64.22 O ATOM 978 CB THR A 62 -0.610 2.756 3.320 1.00 4.52 C ATOM 979 OG1 THR A 62 0.534 3.622 3.316 1.00 74.41 O ATOM 980 CG2 THR A 62 -0.160 1.315 3.568 1.00 44.40 C ATOM 0 H THR A 62 -1.743 4.872 2.569 1.00 41.54 H new ATOM 0 HA THR A 62 -0.689 2.672 1.157 1.00 42.35 H new ATOM 0 HB THR A 62 -1.290 3.043 4.122 1.00 4.52 H new ATOM 0 HG1 THR A 62 0.246 4.545 3.474 1.00 74.41 H new ATOM 0 HG21 THR A 62 0.371 1.258 4.518 1.00 44.40 H new ATOM 0 HG22 THR A 62 -1.032 0.662 3.600 1.00 44.40 H new ATOM 0 HG23 THR A 62 0.502 0.997 2.763 1.00 44.40 H new ATOM 988 N ASN A 63 -3.534 2.057 2.796 1.00 72.14 N ATOM 989 CA ASN A 63 -4.692 1.144 2.815 1.00 43.32 C ATOM 990 C ASN A 63 -5.412 1.149 1.456 1.00 71.20 C ATOM 991 O ASN A 63 -5.901 0.117 0.998 1.00 25.22 O ATOM 992 CB ASN A 63 -5.673 1.500 3.947 1.00 33.22 C ATOM 993 CG ASN A 63 -6.095 2.958 3.930 1.00 12.12 C ATOM 994 OD1 ASN A 63 -5.469 3.796 4.554 1.00 24.51 O ATOM 995 ND2 ASN A 63 -7.165 3.273 3.226 1.00 11.50 N ATOM 0 H ASN A 63 -3.586 2.825 3.465 1.00 72.14 H new ATOM 0 HA ASN A 63 -4.315 0.139 3.005 1.00 43.32 H new ATOM 0 HB2 ASN A 63 -6.559 0.870 3.864 1.00 33.22 H new ATOM 0 HB3 ASN A 63 -5.209 1.273 4.907 1.00 33.22 H new ATOM 0 HD21 ASN A 63 -7.488 4.240 3.194 1.00 11.50 H new ATOM 0 HD22 ASN A 63 -7.669 2.550 2.713 1.00 11.50 H new ATOM 1002 N ARG A 64 -5.456 2.318 0.817 1.00 45.13 N ATOM 1003 CA ARG A 64 -6.018 2.452 -0.533 1.00 64.25 C ATOM 1004 C ARG A 64 -5.223 1.591 -1.535 1.00 5.42 C ATOM 1005 O ARG A 64 -5.798 0.943 -2.409 1.00 75.43 O ATOM 1006 CB ARG A 64 -6.006 3.942 -0.945 1.00 1.50 C ATOM 1007 CG ARG A 64 -6.841 4.296 -2.183 1.00 55.44 C ATOM 1008 CD ARG A 64 -6.161 3.895 -3.488 1.00 24.43 C ATOM 1009 NE ARG A 64 -6.905 4.362 -4.653 1.00 21.11 N ATOM 1010 CZ ARG A 64 -6.781 3.874 -5.854 1.00 20.33 C ATOM 1011 NH1 ARG A 64 -5.970 2.894 -6.088 1.00 1.55 N ATOM 1012 NH2 ARG A 64 -7.479 4.370 -6.822 1.00 13.51 N ATOM 0 H ARG A 64 -5.108 3.192 1.212 1.00 45.13 H new ATOM 0 HA ARG A 64 -7.048 2.095 -0.536 1.00 64.25 H new ATOM 0 HB2 ARG A 64 -6.366 4.535 -0.105 1.00 1.50 H new ATOM 0 HB3 ARG A 64 -4.974 4.241 -1.128 1.00 1.50 H new ATOM 0 HG2 ARG A 64 -7.810 3.801 -2.116 1.00 55.44 H new ATOM 0 HG3 ARG A 64 -7.032 5.369 -2.193 1.00 55.44 H new ATOM 0 HD2 ARG A 64 -5.152 4.306 -3.513 1.00 24.43 H new ATOM 0 HD3 ARG A 64 -6.065 2.810 -3.529 1.00 24.43 H new ATOM 0 HE ARG A 64 -7.569 5.124 -4.517 1.00 21.11 H new ATOM 0 HH11 ARG A 64 -5.419 2.495 -5.328 1.00 1.55 H new ATOM 0 HH12 ARG A 64 -5.881 2.520 -7.033 1.00 1.55 H new ATOM 0 HH21 ARG A 64 -8.123 5.140 -6.644 1.00 13.51 H new ATOM 0 HH22 ARG A 64 -7.385 3.991 -7.764 1.00 13.51 H new ATOM 1026 N ALA A 65 -3.900 1.587 -1.395 1.00 14.12 N ATOM 1027 CA ALA A 65 -3.027 0.795 -2.266 1.00 72.22 C ATOM 1028 C ALA A 65 -3.202 -0.715 -2.029 1.00 71.11 C ATOM 1029 O ALA A 65 -3.640 -1.445 -2.917 1.00 11.54 O ATOM 1030 CB ALA A 65 -1.571 1.204 -2.059 1.00 22.51 C ATOM 0 H ALA A 65 -3.404 2.125 -0.684 1.00 14.12 H new ATOM 0 HA ALA A 65 -3.312 0.997 -3.298 1.00 72.22 H new ATOM 0 HB1 ALA A 65 -0.930 0.610 -2.710 1.00 22.51 H new ATOM 0 HB2 ALA A 65 -1.452 2.261 -2.299 1.00 22.51 H new ATOM 0 HB3 ALA A 65 -1.289 1.034 -1.020 1.00 22.51 H new ATOM 1036 N ILE A 66 -2.873 -1.168 -0.817 1.00 30.53 N ATOM 1037 CA ILE A 66 -2.919 -2.600 -0.470 1.00 75.15 C ATOM 1038 C ILE A 66 -4.307 -3.225 -0.706 1.00 33.41 C ATOM 1039 O ILE A 66 -4.423 -4.284 -1.331 1.00 33.53 O ATOM 1040 CB ILE A 66 -2.500 -2.830 1.009 1.00 30.24 C ATOM 1041 CG1 ILE A 66 -1.036 -2.414 1.225 1.00 63.45 C ATOM 1042 CG2 ILE A 66 -2.706 -4.291 1.421 1.00 22.32 C ATOM 1043 CD1 ILE A 66 -0.044 -3.213 0.402 1.00 11.34 C ATOM 0 H ILE A 66 -2.570 -0.565 -0.053 1.00 30.53 H new ATOM 0 HA ILE A 66 -2.210 -3.093 -1.135 1.00 75.15 H new ATOM 0 HB ILE A 66 -3.137 -2.209 1.639 1.00 30.24 H new ATOM 0 HG12 ILE A 66 -0.929 -1.357 0.980 1.00 63.45 H new ATOM 0 HG13 ILE A 66 -0.789 -2.524 2.281 1.00 63.45 H new ATOM 0 HG21 ILE A 66 -2.404 -4.422 2.460 1.00 22.32 H new ATOM 0 HG22 ILE A 66 -3.758 -4.555 1.312 1.00 22.32 H new ATOM 0 HG23 ILE A 66 -2.102 -4.937 0.784 1.00 22.32 H new ATOM 0 HD11 ILE A 66 0.967 -2.862 0.609 1.00 11.34 H new ATOM 0 HD12 ILE A 66 -0.122 -4.269 0.663 1.00 11.34 H new ATOM 0 HD13 ILE A 66 -0.263 -3.084 -0.658 1.00 11.34 H new ATOM 1055 N SER A 67 -5.358 -2.569 -0.212 1.00 25.52 N ATOM 1056 CA SER A 67 -6.723 -3.116 -0.311 1.00 63.53 C ATOM 1057 C SER A 67 -7.175 -3.263 -1.771 1.00 50.53 C ATOM 1058 O SER A 67 -7.619 -4.335 -2.187 1.00 71.40 O ATOM 1059 CB SER A 67 -7.721 -2.240 0.457 1.00 43.44 C ATOM 1060 OG SER A 67 -9.013 -2.830 0.485 1.00 5.53 O ATOM 0 H SER A 67 -5.298 -1.666 0.258 1.00 25.52 H new ATOM 0 HA SER A 67 -6.701 -4.109 0.138 1.00 63.53 H new ATOM 0 HB2 SER A 67 -7.366 -2.089 1.476 1.00 43.44 H new ATOM 0 HB3 SER A 67 -7.778 -1.256 -0.009 1.00 43.44 H new ATOM 0 HG SER A 67 -9.627 -2.250 0.982 1.00 5.53 H new ATOM 1066 N LEU A 68 -7.050 -2.191 -2.553 1.00 63.40 N ATOM 1067 CA LEU A 68 -7.441 -2.226 -3.969 1.00 1.52 C ATOM 1068 C LEU A 68 -6.525 -3.154 -4.786 1.00 2.55 C ATOM 1069 O LEU A 68 -6.961 -3.756 -5.766 1.00 64.31 O ATOM 1070 CB LEU A 68 -7.450 -0.804 -4.566 1.00 40.14 C ATOM 1071 CG LEU A 68 -8.685 0.059 -4.231 1.00 21.23 C ATOM 1072 CD1 LEU A 68 -9.958 -0.583 -4.780 1.00 5.14 C ATOM 1073 CD2 LEU A 68 -8.808 0.294 -2.726 1.00 64.24 C ATOM 0 H LEU A 68 -6.685 -1.293 -2.237 1.00 63.40 H new ATOM 0 HA LEU A 68 -8.452 -2.631 -4.023 1.00 1.52 H new ATOM 0 HB2 LEU A 68 -6.559 -0.280 -4.220 1.00 40.14 H new ATOM 0 HB3 LEU A 68 -7.371 -0.885 -5.650 1.00 40.14 H new ATOM 0 HG LEU A 68 -8.552 1.029 -4.711 1.00 21.23 H new ATOM 0 HD11 LEU A 68 -10.816 0.042 -4.533 1.00 5.14 H new ATOM 0 HD12 LEU A 68 -9.879 -0.679 -5.863 1.00 5.14 H new ATOM 0 HD13 LEU A 68 -10.088 -1.570 -4.337 1.00 5.14 H new ATOM 0 HD21 LEU A 68 -9.688 0.905 -2.524 1.00 64.24 H new ATOM 0 HD22 LEU A 68 -8.906 -0.664 -2.215 1.00 64.24 H new ATOM 0 HD23 LEU A 68 -7.918 0.809 -2.364 1.00 64.24 H new ATOM 1085 N TYR A 69 -5.263 -3.276 -4.371 1.00 11.44 N ATOM 1086 CA TYR A 69 -4.310 -4.175 -5.039 1.00 73.31 C ATOM 1087 C TYR A 69 -4.786 -5.639 -4.969 1.00 11.34 C ATOM 1088 O TYR A 69 -4.899 -6.319 -5.994 1.00 2.03 O ATOM 1089 CB TYR A 69 -2.919 -4.034 -4.402 1.00 75.15 C ATOM 1090 CG TYR A 69 -1.822 -4.824 -5.103 1.00 21.11 C ATOM 1091 CD1 TYR A 69 -1.360 -4.444 -6.360 1.00 55.24 C ATOM 1092 CD2 TYR A 69 -1.241 -5.937 -4.504 1.00 31.54 C ATOM 1093 CE1 TYR A 69 -0.355 -5.150 -6.999 1.00 72.13 C ATOM 1094 CE2 TYR A 69 -0.236 -6.648 -5.138 1.00 3.14 C ATOM 1095 CZ TYR A 69 0.203 -6.250 -6.386 1.00 71.13 C ATOM 1096 OH TYR A 69 1.208 -6.952 -7.017 1.00 23.43 O ATOM 0 H TYR A 69 -4.874 -2.766 -3.578 1.00 11.44 H new ATOM 0 HA TYR A 69 -4.251 -3.891 -6.090 1.00 73.31 H new ATOM 0 HB2 TYR A 69 -2.642 -2.980 -4.394 1.00 75.15 H new ATOM 0 HB3 TYR A 69 -2.975 -4.357 -3.362 1.00 75.15 H new ATOM 0 HD1 TYR A 69 -1.794 -3.582 -6.846 1.00 55.24 H new ATOM 0 HD2 TYR A 69 -1.579 -6.252 -3.528 1.00 31.54 H new ATOM 0 HE1 TYR A 69 -0.010 -4.839 -7.974 1.00 72.13 H new ATOM 0 HE2 TYR A 69 0.203 -7.510 -4.659 1.00 3.14 H new ATOM 0 HH TYR A 69 1.492 -7.698 -6.449 1.00 23.43 H new ATOM 1106 N MET A 70 -5.081 -6.116 -3.756 1.00 32.34 N ATOM 1107 CA MET A 70 -5.578 -7.488 -3.569 1.00 61.32 C ATOM 1108 C MET A 70 -7.000 -7.653 -4.136 1.00 3.43 C ATOM 1109 O MET A 70 -7.346 -8.707 -4.678 1.00 43.33 O ATOM 1110 CB MET A 70 -5.555 -7.883 -2.081 1.00 73.45 C ATOM 1111 CG MET A 70 -6.443 -7.017 -1.195 1.00 22.23 C ATOM 1112 SD MET A 70 -6.564 -7.637 0.494 1.00 22.32 S ATOM 1113 CE MET A 70 -4.846 -7.582 1.004 1.00 71.21 C ATOM 0 H MET A 70 -4.986 -5.580 -2.894 1.00 32.34 H new ATOM 0 HA MET A 70 -4.911 -8.152 -4.119 1.00 61.32 H new ATOM 0 HB2 MET A 70 -5.869 -8.923 -1.987 1.00 73.45 H new ATOM 0 HB3 MET A 70 -4.529 -7.826 -1.716 1.00 73.45 H new ATOM 0 HG2 MET A 70 -6.049 -6.001 -1.177 1.00 22.23 H new ATOM 0 HG3 MET A 70 -7.441 -6.964 -1.630 1.00 22.23 H new ATOM 0 HE1 MET A 70 -4.790 -7.551 2.092 1.00 71.21 H new ATOM 0 HE2 MET A 70 -4.330 -8.470 0.640 1.00 71.21 H new ATOM 0 HE3 MET A 70 -4.372 -6.692 0.591 1.00 71.21 H new ATOM 1123 N ALA A 71 -7.821 -6.604 -4.007 1.00 53.30 N ATOM 1124 CA ALA A 71 -9.193 -6.619 -4.530 1.00 64.43 C ATOM 1125 C ALA A 71 -9.204 -6.730 -6.060 1.00 72.50 C ATOM 1126 O ALA A 71 -10.060 -7.400 -6.645 1.00 23.15 O ATOM 1127 CB ALA A 71 -9.946 -5.370 -4.081 1.00 61.04 C ATOM 0 H ALA A 71 -7.559 -5.733 -3.545 1.00 53.30 H new ATOM 0 HA ALA A 71 -9.697 -7.498 -4.127 1.00 64.43 H new ATOM 0 HB1 ALA A 71 -10.961 -5.395 -4.477 1.00 61.04 H new ATOM 0 HB2 ALA A 71 -9.981 -5.338 -2.992 1.00 61.04 H new ATOM 0 HB3 ALA A 71 -9.434 -4.483 -4.453 1.00 61.04 H new ATOM 1133 N ASN A 72 -8.257 -6.058 -6.706 1.00 55.12 N ATOM 1134 CA ASN A 72 -8.089 -6.159 -8.154 1.00 44.45 C ATOM 1135 C ASN A 72 -7.570 -7.551 -8.539 1.00 64.52 C ATOM 1136 O ASN A 72 -8.123 -8.203 -9.423 1.00 40.32 O ATOM 1137 CB ASN A 72 -7.126 -5.075 -8.652 1.00 12.14 C ATOM 1138 CG ASN A 72 -6.879 -5.152 -10.148 1.00 73.34 C ATOM 1139 OD1 ASN A 72 -5.960 -5.823 -10.606 1.00 32.35 O ATOM 1140 ND2 ASN A 72 -7.685 -4.459 -10.923 1.00 52.04 N ATOM 0 H ASN A 72 -7.591 -5.435 -6.249 1.00 55.12 H new ATOM 0 HA ASN A 72 -9.059 -6.010 -8.627 1.00 44.45 H new ATOM 0 HB2 ASN A 72 -7.531 -4.094 -8.405 1.00 12.14 H new ATOM 0 HB3 ASN A 72 -6.176 -5.169 -8.126 1.00 12.14 H new ATOM 0 HD21 ASN A 72 -7.554 -4.470 -11.935 1.00 52.04 H new ATOM 0 HD22 ASN A 72 -8.441 -3.910 -10.512 1.00 52.04 H new ATOM 1147 N LEU A 73 -6.515 -8.002 -7.849 1.00 72.33 N ATOM 1148 CA LEU A 73 -5.911 -9.319 -8.098 1.00 43.33 C ATOM 1149 C LEU A 73 -6.981 -10.428 -8.088 1.00 2.41 C ATOM 1150 O LEU A 73 -6.980 -11.309 -8.951 1.00 10.01 O ATOM 1151 CB LEU A 73 -4.818 -9.595 -7.040 1.00 51.41 C ATOM 1152 CG LEU A 73 -3.775 -10.685 -7.385 1.00 44.31 C ATOM 1153 CD1 LEU A 73 -4.382 -12.088 -7.374 1.00 64.15 C ATOM 1154 CD2 LEU A 73 -3.121 -10.394 -8.735 1.00 0.10 C ATOM 0 H LEU A 73 -6.058 -7.470 -7.108 1.00 72.33 H new ATOM 0 HA LEU A 73 -5.453 -9.316 -9.087 1.00 43.33 H new ATOM 0 HB2 LEU A 73 -4.286 -8.663 -6.850 1.00 51.41 H new ATOM 0 HB3 LEU A 73 -5.309 -9.877 -6.109 1.00 51.41 H new ATOM 0 HG LEU A 73 -3.011 -10.658 -6.608 1.00 44.31 H new ATOM 0 HD11 LEU A 73 -3.613 -12.819 -7.622 1.00 64.15 H new ATOM 0 HD12 LEU A 73 -4.782 -12.304 -6.383 1.00 64.15 H new ATOM 0 HD13 LEU A 73 -5.185 -12.143 -8.109 1.00 64.15 H new ATOM 0 HD21 LEU A 73 -2.391 -11.171 -8.961 1.00 0.10 H new ATOM 0 HD22 LEU A 73 -3.884 -10.377 -9.513 1.00 0.10 H new ATOM 0 HD23 LEU A 73 -2.621 -9.426 -8.696 1.00 0.10 H new ATOM 1166 N GLU A 74 -7.907 -10.360 -7.124 1.00 72.43 N ATOM 1167 CA GLU A 74 -9.004 -11.335 -7.026 1.00 3.31 C ATOM 1168 C GLU A 74 -9.741 -11.462 -8.372 1.00 23.21 C ATOM 1169 O GLU A 74 -9.766 -12.534 -8.976 1.00 5.33 O ATOM 1170 CB GLU A 74 -9.985 -10.924 -5.905 1.00 52.11 C ATOM 1171 CG GLU A 74 -10.996 -12.005 -5.492 1.00 50.25 C ATOM 1172 CD GLU A 74 -12.161 -12.177 -6.463 1.00 22.33 C ATOM 1173 OE1 GLU A 74 -13.048 -11.300 -6.488 1.00 53.14 O ATOM 1174 OE2 GLU A 74 -12.197 -13.191 -7.195 1.00 60.44 O ATOM 0 H GLU A 74 -7.920 -9.641 -6.400 1.00 72.43 H new ATOM 0 HA GLU A 74 -8.581 -12.309 -6.778 1.00 3.31 H new ATOM 0 HB2 GLU A 74 -9.408 -10.635 -5.027 1.00 52.11 H new ATOM 0 HB3 GLU A 74 -10.534 -10.041 -6.231 1.00 52.11 H new ATOM 0 HG2 GLU A 74 -10.474 -12.957 -5.396 1.00 50.25 H new ATOM 0 HG3 GLU A 74 -11.392 -11.758 -4.507 1.00 50.25 H new ATOM 1181 N HIS A 75 -10.304 -10.350 -8.850 1.00 51.34 N ATOM 1182 CA HIS A 75 -11.060 -10.348 -10.112 1.00 10.12 C ATOM 1183 C HIS A 75 -10.136 -10.423 -11.340 1.00 61.44 C ATOM 1184 O HIS A 75 -10.584 -10.716 -12.449 1.00 20.32 O ATOM 1185 CB HIS A 75 -11.953 -9.105 -10.199 1.00 30.21 C ATOM 1186 CG HIS A 75 -13.041 -9.072 -9.172 1.00 5.44 C ATOM 1187 ND1 HIS A 75 -14.238 -9.733 -9.330 1.00 3.31 N ATOM 1188 CD2 HIS A 75 -13.116 -8.453 -7.971 1.00 64.44 C ATOM 1189 CE1 HIS A 75 -15.000 -9.520 -8.280 1.00 23.44 C ATOM 1190 NE2 HIS A 75 -14.345 -8.749 -7.440 1.00 34.11 N ATOM 0 H HIS A 75 -10.253 -9.442 -8.388 1.00 51.34 H new ATOM 0 HA HIS A 75 -11.685 -11.241 -10.116 1.00 10.12 H new ATOM 0 HB2 HIS A 75 -11.333 -8.215 -10.088 1.00 30.21 H new ATOM 0 HB3 HIS A 75 -12.401 -9.059 -11.192 1.00 30.21 H new ATOM 0 HD2 HIS A 75 -12.351 -7.841 -7.516 1.00 64.44 H new ATOM 0 HE1 HIS A 75 -15.995 -9.912 -8.132 1.00 23.44 H new ATOM 0 HE2 HIS A 75 -14.695 -8.424 -6.539 1.00 34.11 H new ATOM 1199 N HIS A 76 -8.847 -10.151 -11.140 1.00 74.14 N ATOM 1200 CA HIS A 76 -7.855 -10.245 -12.220 1.00 2.43 C ATOM 1201 C HIS A 76 -7.519 -11.718 -12.514 1.00 61.33 C ATOM 1202 O HIS A 76 -7.188 -12.085 -13.640 1.00 54.03 O ATOM 1203 CB HIS A 76 -6.584 -9.474 -11.830 1.00 22.45 C ATOM 1204 CG HIS A 76 -5.748 -9.050 -12.998 1.00 63.32 C ATOM 1205 ND1 HIS A 76 -4.604 -9.709 -13.396 1.00 21.13 N ATOM 1206 CD2 HIS A 76 -5.889 -8.007 -13.848 1.00 11.53 C ATOM 1207 CE1 HIS A 76 -4.081 -9.089 -14.434 1.00 15.32 C ATOM 1208 NE2 HIS A 76 -4.840 -8.054 -14.729 1.00 51.02 N ATOM 0 H HIS A 76 -8.461 -9.863 -10.241 1.00 74.14 H new ATOM 0 HA HIS A 76 -8.274 -9.802 -13.123 1.00 2.43 H new ATOM 0 HB2 HIS A 76 -6.868 -8.590 -11.259 1.00 22.45 H new ATOM 0 HB3 HIS A 76 -5.980 -10.098 -11.171 1.00 22.45 H new ATOM 0 HD2 HIS A 76 -6.681 -7.273 -13.835 1.00 11.53 H new ATOM 0 HE1 HIS A 76 -3.181 -9.380 -14.955 1.00 15.32 H new ATOM 0 HE2 HIS A 76 -4.674 -7.395 -15.489 1.00 51.02 H new ATOM 1217 N HIS A 77 -7.593 -12.547 -11.475 1.00 53.11 N ATOM 1218 CA HIS A 77 -7.433 -14.000 -11.613 1.00 11.50 C ATOM 1219 C HIS A 77 -8.797 -14.693 -11.788 1.00 14.21 C ATOM 1220 O HIS A 77 -8.882 -15.798 -12.329 1.00 71.43 O ATOM 1221 CB HIS A 77 -6.704 -14.565 -10.383 1.00 63.13 C ATOM 1222 CG HIS A 77 -6.684 -16.064 -10.323 1.00 15.14 C ATOM 1223 ND1 HIS A 77 -6.074 -16.848 -11.276 1.00 73.21 N ATOM 1224 CD2 HIS A 77 -7.228 -16.924 -9.429 1.00 41.03 C ATOM 1225 CE1 HIS A 77 -6.242 -18.117 -10.975 1.00 3.42 C ATOM 1226 NE2 HIS A 77 -6.937 -18.195 -9.860 1.00 32.32 N ATOM 0 H HIS A 77 -7.764 -12.237 -10.518 1.00 53.11 H new ATOM 0 HA HIS A 77 -6.838 -14.197 -12.505 1.00 11.50 H new ATOM 0 HB2 HIS A 77 -5.678 -14.197 -10.381 1.00 63.13 H new ATOM 0 HB3 HIS A 77 -7.182 -14.182 -9.482 1.00 63.13 H new ATOM 0 HD2 HIS A 77 -7.786 -16.660 -8.543 1.00 41.03 H new ATOM 0 HE1 HIS A 77 -5.872 -18.955 -11.547 1.00 3.42 H new ATOM 0 HE2 HIS A 77 -7.214 -19.058 -9.393 1.00 32.32 H new ATOM 1235 N HIS A 78 -9.853 -14.041 -11.315 1.00 73.45 N ATOM 1236 CA HIS A 78 -11.213 -14.581 -11.408 1.00 4.00 C ATOM 1237 C HIS A 78 -11.647 -14.727 -12.879 1.00 34.33 C ATOM 1238 O HIS A 78 -11.846 -13.728 -13.574 1.00 71.13 O ATOM 1239 CB HIS A 78 -12.181 -13.659 -10.655 1.00 4.24 C ATOM 1240 CG HIS A 78 -13.508 -14.273 -10.344 1.00 62.44 C ATOM 1241 ND1 HIS A 78 -13.924 -14.537 -9.058 1.00 72.11 N ATOM 1242 CD2 HIS A 78 -14.522 -14.670 -11.152 1.00 62.41 C ATOM 1243 CE1 HIS A 78 -15.127 -15.068 -9.086 1.00 14.04 C ATOM 1244 NE2 HIS A 78 -15.517 -15.160 -10.342 1.00 11.13 N ATOM 0 H HIS A 78 -9.797 -13.130 -10.859 1.00 73.45 H new ATOM 0 HA HIS A 78 -11.230 -15.572 -10.954 1.00 4.00 H new ATOM 0 HB2 HIS A 78 -11.712 -13.346 -9.722 1.00 4.24 H new ATOM 0 HB3 HIS A 78 -12.342 -12.759 -11.249 1.00 4.24 H new ATOM 0 HD1 HIS A 78 -13.383 -14.350 -8.214 1.00 72.11 H new ATOM 0 HD2 HIS A 78 -14.543 -14.612 -12.230 1.00 62.41 H new ATOM 0 HE1 HIS A 78 -15.700 -15.377 -8.224 1.00 14.04 H new ATOM 1253 N HIS A 79 -11.794 -15.973 -13.338 1.00 60.45 N ATOM 1254 CA HIS A 79 -12.119 -16.257 -14.743 1.00 41.25 C ATOM 1255 C HIS A 79 -11.044 -15.668 -15.682 1.00 15.31 C ATOM 1256 O HIS A 79 -11.319 -14.779 -16.492 1.00 32.21 O ATOM 1257 CB HIS A 79 -13.521 -15.715 -15.089 1.00 3.31 C ATOM 1258 CG HIS A 79 -13.945 -15.961 -16.508 1.00 43.14 C ATOM 1259 ND1 HIS A 79 -13.931 -14.980 -17.476 1.00 71.45 N ATOM 1260 CD2 HIS A 79 -14.402 -17.078 -17.122 1.00 53.12 C ATOM 1261 CE1 HIS A 79 -14.360 -15.479 -18.615 1.00 53.44 C ATOM 1262 NE2 HIS A 79 -14.651 -16.749 -18.432 1.00 24.33 N ATOM 0 H HIS A 79 -11.693 -16.805 -12.757 1.00 60.45 H new ATOM 0 HA HIS A 79 -12.129 -17.337 -14.887 1.00 41.25 H new ATOM 0 HB2 HIS A 79 -14.250 -16.172 -14.420 1.00 3.31 H new ATOM 0 HB3 HIS A 79 -13.541 -14.642 -14.897 1.00 3.31 H new ATOM 0 HD2 HIS A 79 -14.544 -18.047 -16.667 1.00 53.12 H new ATOM 0 HE1 HIS A 79 -14.457 -14.937 -19.544 1.00 53.44 H new ATOM 0 HE2 HIS A 79 -15.004 -17.386 -19.147 1.00 24.33 H new ATOM 1271 N HIS A 80 -9.812 -16.159 -15.544 1.00 21.22 N ATOM 1272 CA HIS A 80 -8.684 -15.690 -16.365 1.00 51.31 C ATOM 1273 C HIS A 80 -7.527 -16.717 -16.371 1.00 14.20 C ATOM 1274 O HIS A 80 -7.594 -17.683 -17.160 1.00 38.22 O ATOM 1275 CB HIS A 80 -8.193 -14.324 -15.849 1.00 53.42 C ATOM 1276 CG HIS A 80 -7.111 -13.710 -16.686 1.00 55.03 C ATOM 1277 ND1 HIS A 80 -5.798 -14.128 -16.643 1.00 31.34 N ATOM 1278 CD2 HIS A 80 -7.151 -12.710 -17.597 1.00 22.52 C ATOM 1279 CE1 HIS A 80 -5.079 -13.414 -17.485 1.00 13.43 C ATOM 1280 NE2 HIS A 80 -5.874 -12.548 -18.076 1.00 3.04 N ATOM 1281 OXT HIS A 80 -6.555 -16.556 -15.590 1.00 38.22 O ATOM 0 H HIS A 80 -9.565 -16.884 -14.870 1.00 21.22 H new ATOM 0 HA HIS A 80 -9.031 -15.579 -17.392 1.00 51.31 H new ATOM 0 HB2 HIS A 80 -9.039 -13.638 -15.806 1.00 53.42 H new ATOM 0 HB3 HIS A 80 -7.827 -14.442 -14.829 1.00 53.42 H new ATOM 0 HD1 HIS A 80 -5.438 -14.876 -16.050 1.00 31.34 H new ATOM 0 HD2 HIS A 80 -8.023 -12.145 -17.892 1.00 22.52 H new ATOM 0 HE1 HIS A 80 -4.019 -13.521 -17.660 1.00 13.43 H new TER 1290 HIS A 80