USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 686 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 Single : A 1 GLU N :NH3+ 173:sc= -1.04 (180deg=-1.26) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -150:sc= -0.187 USER MOD Single : A 8 ASN : amide:sc= 0.0394 X(o=0.039,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0996 X(o=-0.1,f=-0.3) USER MOD Single : A 12 SER OG : rot 70:sc= 0.577 USER MOD Single : A 13 TYR OH : rot 141:sc= -0.726 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0628 F(o=-1.3!,f=-0.063) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.08) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= 0.337 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 30 SER OG : rot 79:sc= 1.27 USER MOD Single : A 36 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.2) USER MOD Single : A 42 GLN : amide:sc= 1.14 K(o=1.1,f=-0.47) USER MOD Single : A 44 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.047) USER MOD Single : A 45 THR OG1 : rot 44:sc= 0.0608 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.79 (180deg=1.4) USER MOD Single : A 53 MET CE :methyl -152:sc= -4.66! (180deg=-5.41!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 67:sc= 0.829 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.046) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.83) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= 1.14 (180deg=-0.386!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 15.106 -10.944 7.266 1.00 12.43 N ATOM 2 CA GLU A 1 14.670 -9.557 7.332 1.00 15.43 C ATOM 3 C GLU A 1 15.869 -8.642 7.444 1.00 72.44 C ATOM 4 O GLU A 1 15.747 -7.413 7.532 1.00 11.02 O ATOM 5 CB GLU A 1 13.646 -9.310 8.473 1.00 33.13 C ATOM 6 CG GLU A 1 14.123 -9.637 9.898 1.00 52.45 C ATOM 7 CD GLU A 1 14.402 -11.104 10.112 1.00 72.11 C ATOM 8 OE1 GLU A 1 13.454 -11.886 10.242 1.00 65.23 O ATOM 9 OE2 GLU A 1 15.587 -11.507 10.105 1.00 2.42 O ATOM 0 H1 GLU A 1 14.277 -11.571 7.309 1.00 12.43 H new ATOM 0 H2 GLU A 1 15.617 -11.105 6.374 1.00 12.43 H new ATOM 0 H3 GLU A 1 15.736 -11.148 8.068 1.00 12.43 H new ATOM 0 HA GLU A 1 14.144 -9.328 6.405 1.00 15.43 H new ATOM 0 HB2 GLU A 1 13.347 -8.262 8.444 1.00 33.13 H new ATOM 0 HB3 GLU A 1 12.754 -9.901 8.266 1.00 33.13 H new ATOM 0 HG2 GLU A 1 15.028 -9.067 10.110 1.00 52.45 H new ATOM 0 HG3 GLU A 1 13.366 -9.310 10.611 1.00 52.45 H new ATOM 16 N SER A 2 17.014 -9.252 7.441 1.00 52.21 N ATOM 17 CA SER A 2 18.258 -8.546 7.450 1.00 5.20 C ATOM 18 C SER A 2 18.623 -8.315 5.995 1.00 11.41 C ATOM 19 O SER A 2 18.844 -7.183 5.553 1.00 50.04 O ATOM 20 CB SER A 2 19.330 -9.377 8.173 1.00 71.43 C ATOM 21 OG SER A 2 20.534 -8.648 8.341 1.00 40.20 O ATOM 0 H SER A 2 17.112 -10.267 7.432 1.00 52.21 H new ATOM 0 HA SER A 2 18.185 -7.597 7.982 1.00 5.20 H new ATOM 0 HB2 SER A 2 18.954 -9.687 9.148 1.00 71.43 H new ATOM 0 HB3 SER A 2 19.531 -10.285 7.605 1.00 71.43 H new ATOM 0 HG SER A 2 21.192 -9.206 8.805 1.00 40.20 H new ATOM 27 N ASP A 3 18.627 -9.390 5.246 1.00 74.31 N ATOM 28 CA ASP A 3 18.818 -9.335 3.836 1.00 50.21 C ATOM 29 C ASP A 3 17.596 -9.812 3.149 1.00 12.55 C ATOM 30 O ASP A 3 17.290 -11.003 3.094 1.00 55.42 O ATOM 31 CB ASP A 3 20.038 -10.072 3.351 1.00 35.01 C ATOM 32 CG ASP A 3 21.226 -9.173 3.208 1.00 14.22 C ATOM 33 OD1 ASP A 3 21.299 -8.447 2.193 1.00 45.00 O ATOM 34 OD2 ASP A 3 22.127 -9.178 4.083 1.00 61.14 O ATOM 0 H ASP A 3 18.495 -10.333 5.612 1.00 74.31 H new ATOM 0 HA ASP A 3 19.001 -8.290 3.585 1.00 50.21 H new ATOM 0 HB2 ASP A 3 20.275 -10.876 4.048 1.00 35.01 H new ATOM 0 HB3 ASP A 3 19.820 -10.538 2.390 1.00 35.01 H new ATOM 39 N SER A 4 16.878 -8.876 2.694 1.00 63.44 N ATOM 40 CA SER A 4 15.643 -9.053 2.033 1.00 33.45 C ATOM 41 C SER A 4 15.579 -8.001 0.964 1.00 74.23 C ATOM 42 O SER A 4 15.242 -6.867 1.235 1.00 34.11 O ATOM 43 CB SER A 4 14.512 -8.917 3.048 1.00 3.33 C ATOM 44 OG SER A 4 14.652 -9.872 4.097 1.00 2.24 O ATOM 0 H SER A 4 17.147 -7.895 2.774 1.00 63.44 H new ATOM 0 HA SER A 4 15.545 -10.039 1.579 1.00 33.45 H new ATOM 0 HB2 SER A 4 14.512 -7.910 3.465 1.00 3.33 H new ATOM 0 HB3 SER A 4 13.552 -9.056 2.550 1.00 3.33 H new ATOM 0 HG SER A 4 13.766 -10.111 4.442 1.00 2.24 H new ATOM 50 N VAL A 5 15.991 -8.372 -0.235 1.00 63.12 N ATOM 51 CA VAL A 5 16.160 -7.440 -1.330 1.00 44.21 C ATOM 52 C VAL A 5 14.881 -6.689 -1.665 1.00 75.44 C ATOM 53 O VAL A 5 14.854 -5.452 -1.615 1.00 30.14 O ATOM 54 CB VAL A 5 16.695 -8.133 -2.592 1.00 2.43 C ATOM 55 CG1 VAL A 5 16.955 -7.104 -3.660 1.00 44.21 C ATOM 56 CG2 VAL A 5 17.960 -8.918 -2.288 1.00 54.34 C ATOM 0 H VAL A 5 16.219 -9.337 -0.476 1.00 63.12 H new ATOM 0 HA VAL A 5 16.896 -6.714 -0.985 1.00 44.21 H new ATOM 0 HB VAL A 5 15.945 -8.839 -2.949 1.00 2.43 H new ATOM 0 HG11 VAL A 5 17.335 -7.597 -4.555 1.00 44.21 H new ATOM 0 HG12 VAL A 5 16.027 -6.584 -3.898 1.00 44.21 H new ATOM 0 HG13 VAL A 5 17.692 -6.385 -3.301 1.00 44.21 H new ATOM 0 HG21 VAL A 5 18.318 -9.399 -3.199 1.00 54.34 H new ATOM 0 HG22 VAL A 5 18.726 -8.241 -1.910 1.00 54.34 H new ATOM 0 HG23 VAL A 5 17.745 -9.678 -1.537 1.00 54.34 H new ATOM 66 N GLU A 6 13.828 -7.423 -1.953 1.00 73.42 N ATOM 67 CA GLU A 6 12.565 -6.824 -2.355 1.00 12.44 C ATOM 68 C GLU A 6 11.971 -6.048 -1.208 1.00 53.41 C ATOM 69 O GLU A 6 11.378 -4.996 -1.396 1.00 34.24 O ATOM 70 CB GLU A 6 11.600 -7.888 -2.827 1.00 24.03 C ATOM 71 CG GLU A 6 12.159 -8.742 -3.941 1.00 32.15 C ATOM 72 CD GLU A 6 12.536 -7.932 -5.148 1.00 62.24 C ATOM 73 OE1 GLU A 6 11.662 -7.666 -5.991 1.00 60.52 O ATOM 74 OE2 GLU A 6 13.703 -7.551 -5.276 1.00 54.04 O ATOM 0 H GLU A 6 13.818 -8.442 -1.917 1.00 73.42 H new ATOM 0 HA GLU A 6 12.752 -6.139 -3.182 1.00 12.44 H new ATOM 0 HB2 GLU A 6 11.333 -8.528 -1.986 1.00 24.03 H new ATOM 0 HB3 GLU A 6 10.681 -7.411 -3.169 1.00 24.03 H new ATOM 0 HG2 GLU A 6 13.036 -9.279 -3.579 1.00 32.15 H new ATOM 0 HG3 GLU A 6 11.421 -9.492 -4.226 1.00 32.15 H new ATOM 81 N PHE A 7 12.171 -6.563 -0.017 1.00 34.42 N ATOM 82 CA PHE A 7 11.746 -5.930 1.191 1.00 73.23 C ATOM 83 C PHE A 7 12.486 -4.631 1.369 1.00 61.54 C ATOM 84 O PHE A 7 11.889 -3.657 1.670 1.00 42.42 O ATOM 85 CB PHE A 7 11.984 -6.873 2.351 1.00 14.01 C ATOM 86 CG PHE A 7 11.530 -6.385 3.686 1.00 12.21 C ATOM 87 CD1 PHE A 7 10.186 -6.252 3.952 1.00 14.40 C ATOM 88 CD2 PHE A 7 12.444 -6.091 4.676 1.00 54.21 C ATOM 89 CE1 PHE A 7 9.749 -5.827 5.192 1.00 35.42 C ATOM 90 CE2 PHE A 7 12.024 -5.663 5.922 1.00 53.42 C ATOM 91 CZ PHE A 7 10.671 -5.530 6.182 1.00 53.43 C ATOM 0 H PHE A 7 12.645 -7.454 0.133 1.00 34.42 H new ATOM 0 HA PHE A 7 10.681 -5.701 1.147 1.00 73.23 H new ATOM 0 HB2 PHE A 7 11.479 -7.815 2.138 1.00 14.01 H new ATOM 0 HB3 PHE A 7 13.051 -7.088 2.407 1.00 14.01 H new ATOM 0 HD1 PHE A 7 9.464 -6.483 3.182 1.00 14.40 H new ATOM 0 HD2 PHE A 7 13.500 -6.196 4.476 1.00 54.21 H new ATOM 0 HE1 PHE A 7 8.692 -5.727 5.389 1.00 35.42 H new ATOM 0 HE2 PHE A 7 12.749 -5.433 6.689 1.00 53.42 H new ATOM 0 HZ PHE A 7 10.336 -5.196 7.153 1.00 53.43 H new ATOM 101 N ASN A 8 13.777 -4.618 1.092 1.00 72.42 N ATOM 102 CA ASN A 8 14.584 -3.434 1.197 1.00 22.01 C ATOM 103 C ASN A 8 14.129 -2.402 0.168 1.00 12.31 C ATOM 104 O ASN A 8 14.079 -1.210 0.465 1.00 12.23 O ATOM 105 CB ASN A 8 16.067 -3.814 1.037 1.00 13.14 C ATOM 106 CG ASN A 8 16.850 -2.804 0.267 1.00 11.31 C ATOM 107 OD1 ASN A 8 17.383 -1.836 0.813 1.00 54.51 O ATOM 108 ND2 ASN A 8 16.929 -3.034 -1.003 1.00 32.05 N ATOM 0 H ASN A 8 14.293 -5.443 0.785 1.00 72.42 H new ATOM 0 HA ASN A 8 14.464 -2.978 2.180 1.00 22.01 H new ATOM 0 HB2 ASN A 8 16.513 -3.936 2.024 1.00 13.14 H new ATOM 0 HB3 ASN A 8 16.137 -4.779 0.535 1.00 13.14 H new ATOM 0 HD21 ASN A 8 17.452 -2.398 -1.605 1.00 32.05 H new ATOM 0 HD22 ASN A 8 16.468 -3.851 -1.403 1.00 32.05 H new ATOM 115 N ASN A 9 13.754 -2.881 -1.023 1.00 65.44 N ATOM 116 CA ASN A 9 13.207 -2.011 -2.075 1.00 43.23 C ATOM 117 C ASN A 9 11.900 -1.424 -1.580 1.00 24.54 C ATOM 118 O ASN A 9 11.584 -0.259 -1.816 1.00 64.00 O ATOM 119 CB ASN A 9 12.937 -2.782 -3.387 1.00 65.24 C ATOM 120 CG ASN A 9 14.171 -3.366 -4.062 1.00 75.11 C ATOM 121 OD1 ASN A 9 15.279 -2.834 -3.963 1.00 15.20 O ATOM 122 ND2 ASN A 9 13.983 -4.448 -4.770 1.00 54.32 N ATOM 0 H ASN A 9 13.818 -3.865 -1.284 1.00 65.44 H new ATOM 0 HA ASN A 9 13.941 -1.234 -2.288 1.00 43.23 H new ATOM 0 HB2 ASN A 9 12.240 -3.593 -3.176 1.00 65.24 H new ATOM 0 HB3 ASN A 9 12.442 -2.111 -4.089 1.00 65.24 H new ATOM 0 HD21 ASN A 9 14.766 -4.878 -5.262 1.00 54.32 H new ATOM 0 HD22 ASN A 9 13.053 -4.863 -4.831 1.00 54.32 H new ATOM 129 N ALA A 10 11.148 -2.249 -0.878 1.00 65.14 N ATOM 130 CA ALA A 10 9.890 -1.862 -0.288 1.00 42.23 C ATOM 131 C ALA A 10 10.109 -0.901 0.862 1.00 3.43 C ATOM 132 O ALA A 10 9.313 -0.007 1.076 1.00 73.43 O ATOM 133 CB ALA A 10 9.118 -3.094 0.157 1.00 44.42 C ATOM 0 H ALA A 10 11.401 -3.221 -0.701 1.00 65.14 H new ATOM 0 HA ALA A 10 9.295 -1.343 -1.039 1.00 42.23 H new ATOM 0 HB1 ALA A 10 8.170 -2.789 0.601 1.00 44.42 H new ATOM 0 HB2 ALA A 10 8.926 -3.734 -0.704 1.00 44.42 H new ATOM 0 HB3 ALA A 10 9.703 -3.644 0.894 1.00 44.42 H new ATOM 139 N ILE A 11 11.199 -1.072 1.586 1.00 53.34 N ATOM 140 CA ILE A 11 11.527 -0.172 2.664 1.00 72.12 C ATOM 141 C ILE A 11 11.890 1.166 2.086 1.00 34.53 C ATOM 142 O ILE A 11 11.501 2.180 2.608 1.00 25.03 O ATOM 143 CB ILE A 11 12.682 -0.653 3.560 1.00 21.44 C ATOM 144 CG1 ILE A 11 12.441 -2.073 4.082 1.00 43.43 C ATOM 145 CG2 ILE A 11 12.888 0.312 4.714 1.00 63.10 C ATOM 146 CD1 ILE A 11 11.018 -2.398 4.501 1.00 12.24 C ATOM 0 H ILE A 11 11.869 -1.827 1.444 1.00 53.34 H new ATOM 0 HA ILE A 11 10.643 -0.119 3.300 1.00 72.12 H new ATOM 0 HB ILE A 11 13.587 -0.678 2.952 1.00 21.44 H new ATOM 0 HG12 ILE A 11 12.740 -2.779 3.307 1.00 43.43 H new ATOM 0 HG13 ILE A 11 13.097 -2.240 4.936 1.00 43.43 H new ATOM 0 HG21 ILE A 11 13.708 -0.040 5.340 1.00 63.10 H new ATOM 0 HG22 ILE A 11 13.128 1.301 4.323 1.00 63.10 H new ATOM 0 HG23 ILE A 11 11.976 0.369 5.308 1.00 63.10 H new ATOM 0 HD11 ILE A 11 10.969 -3.429 4.852 1.00 12.24 H new ATOM 0 HD12 ILE A 11 10.712 -1.726 5.303 1.00 12.24 H new ATOM 0 HD13 ILE A 11 10.350 -2.273 3.649 1.00 12.24 H new ATOM 158 N SER A 12 12.626 1.152 0.983 1.00 25.11 N ATOM 159 CA SER A 12 12.945 2.363 0.269 1.00 52.13 C ATOM 160 C SER A 12 11.648 3.033 -0.200 1.00 21.51 C ATOM 161 O SER A 12 11.500 4.240 -0.094 1.00 24.11 O ATOM 162 CB SER A 12 13.861 2.042 -0.906 1.00 2.34 C ATOM 163 OG SER A 12 15.059 1.421 -0.448 1.00 23.40 O ATOM 0 H SER A 12 13.012 0.304 0.567 1.00 25.11 H new ATOM 0 HA SER A 12 13.471 3.056 0.926 1.00 52.13 H new ATOM 0 HB2 SER A 12 13.347 1.383 -1.606 1.00 2.34 H new ATOM 0 HB3 SER A 12 14.102 2.957 -1.447 1.00 2.34 H new ATOM 0 HG SER A 12 14.857 0.517 -0.127 1.00 23.40 H new ATOM 169 N TYR A 13 10.697 2.214 -0.656 1.00 15.25 N ATOM 170 CA TYR A 13 9.377 2.683 -1.051 1.00 44.42 C ATOM 171 C TYR A 13 8.670 3.354 0.129 1.00 43.52 C ATOM 172 O TYR A 13 8.091 4.430 -0.005 1.00 74.53 O ATOM 173 CB TYR A 13 8.534 1.516 -1.608 1.00 51.32 C ATOM 174 CG TYR A 13 7.075 1.845 -1.846 1.00 41.15 C ATOM 175 CD1 TYR A 13 6.677 2.597 -2.937 1.00 23.33 C ATOM 176 CD2 TYR A 13 6.097 1.406 -0.960 1.00 13.33 C ATOM 177 CE1 TYR A 13 5.347 2.906 -3.137 1.00 74.44 C ATOM 178 CE2 TYR A 13 4.768 1.708 -1.158 1.00 12.11 C ATOM 179 CZ TYR A 13 4.399 2.461 -2.245 1.00 50.00 C ATOM 180 OH TYR A 13 3.075 2.779 -2.436 1.00 65.31 O ATOM 0 H TYR A 13 10.826 1.207 -0.760 1.00 15.25 H new ATOM 0 HA TYR A 13 9.494 3.425 -1.841 1.00 44.42 H new ATOM 0 HB2 TYR A 13 8.975 1.183 -2.548 1.00 51.32 H new ATOM 0 HB3 TYR A 13 8.595 0.678 -0.913 1.00 51.32 H new ATOM 0 HD1 TYR A 13 7.417 2.947 -3.642 1.00 23.33 H new ATOM 0 HD2 TYR A 13 6.385 0.818 -0.101 1.00 13.33 H new ATOM 0 HE1 TYR A 13 5.051 3.496 -3.992 1.00 74.44 H new ATOM 0 HE2 TYR A 13 4.021 1.355 -0.463 1.00 12.11 H new ATOM 0 HH TYR A 13 2.516 2.010 -2.197 1.00 65.31 H new ATOM 190 N VAL A 14 8.732 2.717 1.274 1.00 24.04 N ATOM 191 CA VAL A 14 8.136 3.251 2.474 1.00 72.34 C ATOM 192 C VAL A 14 8.884 4.510 2.944 1.00 63.24 C ATOM 193 O VAL A 14 8.264 5.504 3.319 1.00 35.32 O ATOM 194 CB VAL A 14 8.061 2.198 3.609 1.00 52.33 C ATOM 195 CG1 VAL A 14 7.534 2.844 4.864 1.00 74.20 C ATOM 196 CG2 VAL A 14 7.146 1.050 3.204 1.00 41.22 C ATOM 0 H VAL A 14 9.195 1.817 1.399 1.00 24.04 H new ATOM 0 HA VAL A 14 7.112 3.529 2.226 1.00 72.34 H new ATOM 0 HB VAL A 14 9.061 1.805 3.792 1.00 52.33 H new ATOM 0 HG11 VAL A 14 7.482 2.102 5.661 1.00 74.20 H new ATOM 0 HG12 VAL A 14 8.200 3.653 5.164 1.00 74.20 H new ATOM 0 HG13 VAL A 14 6.538 3.245 4.676 1.00 74.20 H new ATOM 0 HG21 VAL A 14 7.102 0.318 4.010 1.00 41.22 H new ATOM 0 HG22 VAL A 14 6.145 1.434 3.008 1.00 41.22 H new ATOM 0 HG23 VAL A 14 7.535 0.575 2.303 1.00 41.22 H new ATOM 206 N ASN A 15 10.205 4.455 2.915 1.00 31.24 N ATOM 207 CA ASN A 15 11.066 5.573 3.264 1.00 10.30 C ATOM 208 C ASN A 15 10.713 6.809 2.419 1.00 74.54 C ATOM 209 O ASN A 15 10.744 7.952 2.925 1.00 71.15 O ATOM 210 CB ASN A 15 12.525 5.190 3.027 1.00 34.31 C ATOM 211 CG ASN A 15 13.504 6.109 3.709 1.00 60.25 C ATOM 212 OD1 ASN A 15 13.173 6.528 4.894 1.00 21.52 O flip ATOM 213 ND2 ASN A 15 14.593 6.378 3.194 1.00 64.33 N flip ATOM 0 H ASN A 15 10.719 3.617 2.643 1.00 31.24 H new ATOM 0 HA ASN A 15 10.917 5.814 4.316 1.00 10.30 H new ATOM 0 HB2 ASN A 15 12.687 4.172 3.380 1.00 34.31 H new ATOM 0 HB3 ASN A 15 12.723 5.191 1.955 1.00 34.31 H new ATOM 0 HD21 ASN A 15 14.816 6.030 2.261 1.00 64.33 H new ATOM 0 HD22 ASN A 15 15.270 6.948 3.701 1.00 64.33 H new ATOM 220 N LYS A 16 10.384 6.564 1.138 1.00 73.22 N ATOM 221 CA LYS A 16 9.900 7.610 0.227 1.00 63.44 C ATOM 222 C LYS A 16 8.681 8.266 0.838 1.00 13.31 C ATOM 223 O LYS A 16 8.646 9.476 1.021 1.00 51.12 O ATOM 224 CB LYS A 16 9.451 7.032 -1.123 1.00 43.43 C ATOM 225 CG LYS A 16 10.490 6.437 -2.024 1.00 2.32 C ATOM 226 CD LYS A 16 9.771 5.749 -3.174 1.00 42.54 C ATOM 227 CE LYS A 16 10.704 5.156 -4.182 1.00 45.44 C ATOM 228 NZ LYS A 16 11.233 6.170 -5.106 1.00 64.45 N ATOM 0 H LYS A 16 10.446 5.640 0.710 1.00 73.22 H new ATOM 0 HA LYS A 16 10.721 8.310 0.072 1.00 63.44 H new ATOM 0 HB2 LYS A 16 8.705 6.263 -0.923 1.00 43.43 H new ATOM 0 HB3 LYS A 16 8.949 7.827 -1.674 1.00 43.43 H new ATOM 0 HG2 LYS A 16 11.158 7.212 -2.400 1.00 2.32 H new ATOM 0 HG3 LYS A 16 11.106 5.723 -1.477 1.00 2.32 H new ATOM 0 HD2 LYS A 16 9.130 4.963 -2.775 1.00 42.54 H new ATOM 0 HD3 LYS A 16 9.120 6.469 -3.670 1.00 42.54 H new ATOM 0 HE2 LYS A 16 11.531 4.668 -3.667 1.00 45.44 H new ATOM 0 HE3 LYS A 16 10.182 4.385 -4.749 1.00 45.44 H new ATOM 0 HZ1 LYS A 16 12.111 5.820 -5.540 1.00 64.45 H new ATOM 0 HZ2 LYS A 16 10.532 6.362 -5.850 1.00 64.45 H new ATOM 0 HZ3 LYS A 16 11.431 7.047 -4.583 1.00 64.45 H new ATOM 242 N ILE A 17 7.698 7.431 1.185 1.00 34.34 N ATOM 243 CA ILE A 17 6.433 7.864 1.745 1.00 1.12 C ATOM 244 C ILE A 17 6.665 8.663 3.019 1.00 74.32 C ATOM 245 O ILE A 17 6.137 9.765 3.175 1.00 63.42 O ATOM 246 CB ILE A 17 5.535 6.652 2.086 1.00 73.51 C ATOM 247 CG1 ILE A 17 5.311 5.760 0.863 1.00 51.10 C ATOM 248 CG2 ILE A 17 4.213 7.132 2.625 1.00 22.21 C ATOM 249 CD1 ILE A 17 4.518 4.503 1.172 1.00 62.14 C ATOM 0 H ILE A 17 7.769 6.419 1.079 1.00 34.34 H new ATOM 0 HA ILE A 17 5.938 8.484 0.998 1.00 1.12 H new ATOM 0 HB ILE A 17 6.043 6.057 2.845 1.00 73.51 H new ATOM 0 HG12 ILE A 17 4.788 6.332 0.096 1.00 51.10 H new ATOM 0 HG13 ILE A 17 6.278 5.478 0.446 1.00 51.10 H new ATOM 0 HG21 ILE A 17 3.584 6.274 2.864 1.00 22.21 H new ATOM 0 HG22 ILE A 17 4.380 7.721 3.527 1.00 22.21 H new ATOM 0 HG23 ILE A 17 3.717 7.748 1.875 1.00 22.21 H new ATOM 0 HD11 ILE A 17 4.396 3.917 0.261 1.00 62.14 H new ATOM 0 HD12 ILE A 17 5.050 3.911 1.916 1.00 62.14 H new ATOM 0 HD13 ILE A 17 3.537 4.778 1.561 1.00 62.14 H new ATOM 261 N LYS A 18 7.486 8.106 3.902 1.00 64.25 N ATOM 262 CA LYS A 18 7.822 8.731 5.171 1.00 53.32 C ATOM 263 C LYS A 18 8.310 10.155 4.970 1.00 75.32 C ATOM 264 O LYS A 18 7.844 11.048 5.622 1.00 24.01 O ATOM 265 CB LYS A 18 8.904 7.938 5.922 1.00 74.44 C ATOM 266 CG LYS A 18 8.471 6.638 6.483 1.00 10.23 C ATOM 267 CD LYS A 18 9.590 6.007 7.266 1.00 61.13 C ATOM 268 CE LYS A 18 9.195 4.640 7.707 1.00 50.52 C ATOM 269 NZ LYS A 18 10.261 3.956 8.447 1.00 53.21 N ATOM 0 H LYS A 18 7.938 7.204 3.755 1.00 64.25 H new ATOM 0 HA LYS A 18 6.908 8.740 5.765 1.00 53.32 H new ATOM 0 HB2 LYS A 18 9.737 7.760 5.242 1.00 74.44 H new ATOM 0 HB3 LYS A 18 9.283 8.556 6.736 1.00 74.44 H new ATOM 0 HG2 LYS A 18 7.604 6.783 7.128 1.00 10.23 H new ATOM 0 HG3 LYS A 18 8.161 5.972 5.678 1.00 10.23 H new ATOM 0 HD2 LYS A 18 10.490 5.955 6.653 1.00 61.13 H new ATOM 0 HD3 LYS A 18 9.831 6.622 8.133 1.00 61.13 H new ATOM 0 HE2 LYS A 18 8.307 4.707 8.336 1.00 50.52 H new ATOM 0 HE3 LYS A 18 8.924 4.045 6.835 1.00 50.52 H new ATOM 0 HZ1 LYS A 18 9.935 3.010 8.731 1.00 53.21 H new ATOM 0 HZ2 LYS A 18 11.101 3.865 7.841 1.00 53.21 H new ATOM 0 HZ3 LYS A 18 10.504 4.507 9.295 1.00 53.21 H new ATOM 283 N THR A 19 9.228 10.319 4.037 1.00 3.34 N ATOM 284 CA THR A 19 9.867 11.562 3.697 1.00 5.14 C ATOM 285 C THR A 19 8.932 12.524 2.908 1.00 2.53 C ATOM 286 O THR A 19 8.833 13.717 3.207 1.00 12.33 O ATOM 287 CB THR A 19 11.086 11.177 2.843 1.00 41.31 C ATOM 288 OG1 THR A 19 12.088 10.498 3.622 1.00 30.45 O ATOM 289 CG2 THR A 19 11.648 12.319 2.054 1.00 4.01 C ATOM 0 H THR A 19 9.562 9.541 3.468 1.00 3.34 H new ATOM 0 HA THR A 19 10.143 12.105 4.601 1.00 5.14 H new ATOM 0 HB THR A 19 10.722 10.469 2.098 1.00 41.31 H new ATOM 0 HG1 THR A 19 11.920 9.533 3.602 1.00 30.45 H new ATOM 0 HG21 THR A 19 12.505 11.975 1.476 1.00 4.01 H new ATOM 0 HG22 THR A 19 10.885 12.704 1.378 1.00 4.01 H new ATOM 0 HG23 THR A 19 11.963 13.111 2.734 1.00 4.01 H new ATOM 297 N ARG A 20 8.259 12.000 1.929 1.00 51.30 N ATOM 298 CA ARG A 20 7.419 12.796 1.053 1.00 54.25 C ATOM 299 C ARG A 20 6.184 13.302 1.740 1.00 32.20 C ATOM 300 O ARG A 20 5.568 14.268 1.311 1.00 23.43 O ATOM 301 CB ARG A 20 7.093 11.996 -0.190 1.00 13.40 C ATOM 302 CG ARG A 20 8.258 11.947 -1.175 1.00 21.21 C ATOM 303 CD ARG A 20 8.530 13.315 -1.789 1.00 25.24 C ATOM 304 NE ARG A 20 9.676 13.295 -2.711 1.00 55.31 N ATOM 305 CZ ARG A 20 10.448 14.361 -2.996 1.00 63.14 C ATOM 306 NH1 ARG A 20 10.178 15.549 -2.442 1.00 63.24 N ATOM 307 NH2 ARG A 20 11.476 14.232 -3.835 1.00 3.52 N ATOM 0 H ARG A 20 8.270 11.005 1.705 1.00 51.30 H new ATOM 0 HA ARG A 20 7.973 13.689 0.763 1.00 54.25 H new ATOM 0 HB2 ARG A 20 6.821 10.980 0.097 1.00 13.40 H new ATOM 0 HB3 ARG A 20 6.224 12.433 -0.682 1.00 13.40 H new ATOM 0 HG2 ARG A 20 9.153 11.592 -0.664 1.00 21.21 H new ATOM 0 HG3 ARG A 20 8.037 11.230 -1.966 1.00 21.21 H new ATOM 0 HD2 ARG A 20 7.642 13.654 -2.323 1.00 25.24 H new ATOM 0 HD3 ARG A 20 8.719 14.037 -0.994 1.00 25.24 H new ATOM 0 HE ARG A 20 9.902 12.411 -3.167 1.00 55.31 H new ATOM 0 HH11 ARG A 20 9.388 15.647 -1.804 1.00 63.24 H new ATOM 0 HH12 ARG A 20 10.762 16.357 -2.657 1.00 63.24 H new ATOM 0 HH21 ARG A 20 11.677 13.327 -4.260 1.00 3.52 H new ATOM 0 HH22 ARG A 20 12.062 15.038 -4.052 1.00 3.52 H new ATOM 321 N PHE A 21 5.839 12.660 2.796 1.00 30.41 N ATOM 322 CA PHE A 21 4.706 13.025 3.581 1.00 10.45 C ATOM 323 C PHE A 21 5.176 13.135 5.012 1.00 4.35 C ATOM 324 O PHE A 21 4.464 12.829 5.962 1.00 53.41 O ATOM 325 CB PHE A 21 3.619 11.968 3.414 1.00 14.22 C ATOM 326 CG PHE A 21 3.216 11.755 1.971 1.00 22.12 C ATOM 327 CD1 PHE A 21 2.243 12.538 1.380 1.00 43.31 C ATOM 328 CD2 PHE A 21 3.813 10.767 1.213 1.00 65.11 C ATOM 329 CE1 PHE A 21 1.869 12.329 0.069 1.00 63.45 C ATOM 330 CE2 PHE A 21 3.453 10.556 -0.083 1.00 54.44 C ATOM 331 CZ PHE A 21 2.474 11.333 -0.664 1.00 21.35 C ATOM 0 H PHE A 21 6.344 11.848 3.150 1.00 30.41 H new ATOM 0 HA PHE A 21 4.278 13.978 3.268 1.00 10.45 H new ATOM 0 HB2 PHE A 21 3.971 11.024 3.830 1.00 14.22 H new ATOM 0 HB3 PHE A 21 2.742 12.263 3.990 1.00 14.22 H new ATOM 0 HD1 PHE A 21 1.770 13.323 1.951 1.00 43.31 H new ATOM 0 HD2 PHE A 21 4.580 10.150 1.657 1.00 65.11 H new ATOM 0 HE1 PHE A 21 1.104 12.945 -0.381 1.00 63.45 H new ATOM 0 HE2 PHE A 21 3.935 9.778 -0.657 1.00 54.44 H new ATOM 0 HZ PHE A 21 2.183 11.161 -1.690 1.00 21.35 H new ATOM 341 N LEU A 22 6.396 13.614 5.144 1.00 74.50 N ATOM 342 CA LEU A 22 7.073 13.751 6.411 1.00 25.43 C ATOM 343 C LEU A 22 6.382 14.780 7.268 1.00 45.15 C ATOM 344 O LEU A 22 6.248 14.614 8.473 1.00 44.41 O ATOM 345 CB LEU A 22 8.534 14.143 6.157 1.00 64.11 C ATOM 346 CG LEU A 22 9.606 13.278 6.765 1.00 64.11 C ATOM 347 CD1 LEU A 22 10.971 13.829 6.445 1.00 34.34 C ATOM 348 CD2 LEU A 22 9.413 13.171 8.221 1.00 50.01 C ATOM 0 H LEU A 22 6.956 13.926 4.351 1.00 74.50 H new ATOM 0 HA LEU A 22 7.045 12.801 6.946 1.00 25.43 H new ATOM 0 HB2 LEU A 22 8.693 14.166 5.079 1.00 64.11 H new ATOM 0 HB3 LEU A 22 8.677 15.160 6.522 1.00 64.11 H new ATOM 0 HG LEU A 22 9.533 12.279 6.336 1.00 64.11 H new ATOM 0 HD11 LEU A 22 11.734 13.192 6.892 1.00 34.34 H new ATOM 0 HD12 LEU A 22 11.108 13.856 5.364 1.00 34.34 H new ATOM 0 HD13 LEU A 22 11.059 14.838 6.847 1.00 34.34 H new ATOM 0 HD21 LEU A 22 10.195 12.543 8.647 1.00 50.01 H new ATOM 0 HD22 LEU A 22 9.461 14.164 8.668 1.00 50.01 H new ATOM 0 HD23 LEU A 22 8.439 12.727 8.427 1.00 50.01 H new ATOM 360 N ASP A 23 5.896 15.813 6.632 1.00 35.34 N ATOM 361 CA ASP A 23 5.231 16.889 7.341 1.00 43.43 C ATOM 362 C ASP A 23 3.731 16.613 7.426 1.00 61.03 C ATOM 363 O ASP A 23 2.977 17.359 8.046 1.00 51.11 O ATOM 364 CB ASP A 23 5.514 18.234 6.649 1.00 43.23 C ATOM 365 CG ASP A 23 5.062 19.427 7.462 1.00 23.44 C ATOM 366 OD1 ASP A 23 5.706 19.736 8.486 1.00 55.30 O ATOM 367 OD2 ASP A 23 4.083 20.096 7.080 1.00 50.52 O ATOM 0 H ASP A 23 5.945 15.938 5.621 1.00 35.34 H new ATOM 0 HA ASP A 23 5.622 16.945 8.357 1.00 43.43 H new ATOM 0 HB2 ASP A 23 6.583 18.318 6.455 1.00 43.23 H new ATOM 0 HB3 ASP A 23 5.013 18.250 5.681 1.00 43.23 H new ATOM 372 N HIS A 24 3.318 15.496 6.853 1.00 14.12 N ATOM 373 CA HIS A 24 1.918 15.124 6.804 1.00 30.53 C ATOM 374 C HIS A 24 1.718 13.785 7.525 1.00 13.30 C ATOM 375 O HIS A 24 1.755 12.716 6.903 1.00 22.12 O ATOM 376 CB HIS A 24 1.451 15.007 5.358 1.00 63.03 C ATOM 377 CG HIS A 24 1.654 16.221 4.525 1.00 22.34 C ATOM 378 ND1 HIS A 24 1.210 17.481 4.847 1.00 23.42 N ATOM 379 CD2 HIS A 24 2.295 16.338 3.367 1.00 54.22 C ATOM 380 CE1 HIS A 24 1.595 18.311 3.882 1.00 42.01 C ATOM 381 NE2 HIS A 24 2.267 17.662 2.947 1.00 55.53 N ATOM 0 H HIS A 24 3.944 14.823 6.410 1.00 14.12 H new ATOM 0 HA HIS A 24 1.329 15.896 7.299 1.00 30.53 H new ATOM 0 HB2 HIS A 24 1.975 14.174 4.890 1.00 63.03 H new ATOM 0 HB3 HIS A 24 0.390 14.758 5.355 1.00 63.03 H new ATOM 0 HD2 HIS A 24 2.767 15.526 2.833 1.00 54.22 H new ATOM 0 HE1 HIS A 24 1.387 19.371 3.865 1.00 42.01 H new ATOM 0 HE2 HIS A 24 2.678 18.050 2.098 1.00 55.53 H new ATOM 389 N PRO A 25 1.523 13.822 8.848 1.00 43.03 N ATOM 390 CA PRO A 25 1.455 12.625 9.682 1.00 3.32 C ATOM 391 C PRO A 25 0.319 11.674 9.318 1.00 14.22 C ATOM 392 O PRO A 25 0.550 10.456 9.188 1.00 34.51 O ATOM 393 CB PRO A 25 1.267 13.172 11.102 1.00 21.31 C ATOM 394 CG PRO A 25 1.714 14.584 11.027 1.00 3.53 C ATOM 395 CD PRO A 25 1.354 15.042 9.654 1.00 72.10 C ATOM 0 HA PRO A 25 2.353 12.020 9.555 1.00 3.32 H new ATOM 0 HB2 PRO A 25 0.226 13.103 11.418 1.00 21.31 H new ATOM 0 HB3 PRO A 25 1.857 12.608 11.824 1.00 21.31 H new ATOM 0 HG2 PRO A 25 1.222 15.193 11.786 1.00 3.53 H new ATOM 0 HG3 PRO A 25 2.787 14.666 11.200 1.00 3.53 H new ATOM 0 HD2 PRO A 25 0.332 15.419 9.608 1.00 72.10 H new ATOM 0 HD3 PRO A 25 2.006 15.846 9.312 1.00 72.10 H new ATOM 403 N GLU A 26 -0.878 12.211 9.112 1.00 2.01 N ATOM 404 CA GLU A 26 -2.047 11.398 8.867 1.00 11.54 C ATOM 405 C GLU A 26 -1.934 10.573 7.603 1.00 65.41 C ATOM 406 O GLU A 26 -2.389 9.456 7.579 1.00 52.33 O ATOM 407 CB GLU A 26 -3.296 12.239 8.799 1.00 45.43 C ATOM 408 CG GLU A 26 -3.333 13.174 7.618 1.00 61.54 C ATOM 409 CD GLU A 26 -4.585 13.953 7.574 1.00 61.22 C ATOM 410 OE1 GLU A 26 -4.739 14.875 8.383 1.00 23.14 O ATOM 411 OE2 GLU A 26 -5.462 13.646 6.735 1.00 4.44 O ATOM 0 H GLU A 26 -1.057 13.215 9.111 1.00 2.01 H new ATOM 0 HA GLU A 26 -2.113 10.713 9.712 1.00 11.54 H new ATOM 0 HB2 GLU A 26 -4.164 11.581 8.758 1.00 45.43 H new ATOM 0 HB3 GLU A 26 -3.381 12.822 9.716 1.00 45.43 H new ATOM 0 HG2 GLU A 26 -2.483 13.855 7.667 1.00 61.54 H new ATOM 0 HG3 GLU A 26 -3.229 12.600 6.697 1.00 61.54 H new ATOM 418 N ILE A 27 -1.303 11.123 6.579 1.00 42.33 N ATOM 419 CA ILE A 27 -1.190 10.479 5.275 1.00 4.43 C ATOM 420 C ILE A 27 -0.521 9.129 5.391 1.00 63.10 C ATOM 421 O ILE A 27 -0.956 8.151 4.779 1.00 14.52 O ATOM 422 CB ILE A 27 -0.431 11.398 4.297 1.00 54.21 C ATOM 423 CG1 ILE A 27 -1.270 12.672 4.082 1.00 75.42 C ATOM 424 CG2 ILE A 27 -0.105 10.689 2.976 1.00 13.30 C ATOM 425 CD1 ILE A 27 -0.723 13.616 3.055 1.00 75.25 C ATOM 0 H ILE A 27 -0.850 12.036 6.627 1.00 42.33 H new ATOM 0 HA ILE A 27 -2.193 10.310 4.882 1.00 4.43 H new ATOM 0 HB ILE A 27 0.534 11.669 4.726 1.00 54.21 H new ATOM 0 HG12 ILE A 27 -2.278 12.381 3.788 1.00 75.42 H new ATOM 0 HG13 ILE A 27 -1.355 13.200 5.032 1.00 75.42 H new ATOM 0 HG21 ILE A 27 0.430 11.374 2.318 1.00 13.30 H new ATOM 0 HG22 ILE A 27 0.518 9.817 3.175 1.00 13.30 H new ATOM 0 HG23 ILE A 27 -1.030 10.372 2.495 1.00 13.30 H new ATOM 0 HD11 ILE A 27 -1.379 14.483 2.972 1.00 75.25 H new ATOM 0 HD12 ILE A 27 0.273 13.942 3.354 1.00 75.25 H new ATOM 0 HD13 ILE A 27 -0.665 13.111 2.091 1.00 75.25 H new ATOM 437 N TYR A 28 0.475 9.070 6.243 1.00 23.30 N ATOM 438 CA TYR A 28 1.198 7.853 6.483 1.00 40.21 C ATOM 439 C TYR A 28 0.244 6.816 7.088 1.00 73.33 C ATOM 440 O TYR A 28 0.107 5.710 6.578 1.00 50.12 O ATOM 441 CB TYR A 28 2.348 8.119 7.456 1.00 40.35 C ATOM 442 CG TYR A 28 3.371 7.007 7.508 1.00 63.24 C ATOM 443 CD1 TYR A 28 4.326 6.861 6.505 1.00 40.34 C ATOM 444 CD2 TYR A 28 3.373 6.092 8.548 1.00 75.12 C ATOM 445 CE1 TYR A 28 5.240 5.835 6.543 1.00 2.34 C ATOM 446 CE2 TYR A 28 4.290 5.063 8.591 1.00 73.14 C ATOM 447 CZ TYR A 28 5.215 4.935 7.589 1.00 1.34 C ATOM 448 OH TYR A 28 6.132 3.917 7.640 1.00 11.14 O ATOM 0 H TYR A 28 0.804 9.867 6.788 1.00 23.30 H new ATOM 0 HA TYR A 28 1.605 7.478 5.544 1.00 40.21 H new ATOM 0 HB2 TYR A 28 2.846 9.046 7.171 1.00 40.35 H new ATOM 0 HB3 TYR A 28 1.939 8.271 8.455 1.00 40.35 H new ATOM 0 HD1 TYR A 28 4.349 7.564 5.685 1.00 40.34 H new ATOM 0 HD2 TYR A 28 2.644 6.186 9.339 1.00 75.12 H new ATOM 0 HE1 TYR A 28 5.974 5.734 5.758 1.00 2.34 H new ATOM 0 HE2 TYR A 28 4.279 4.361 9.411 1.00 73.14 H new ATOM 0 HH TYR A 28 5.975 3.375 8.442 1.00 11.14 H new ATOM 458 N ARG A 29 -0.479 7.225 8.128 1.00 31.02 N ATOM 459 CA ARG A 29 -1.361 6.308 8.847 1.00 44.12 C ATOM 460 C ARG A 29 -2.597 5.949 8.026 1.00 73.34 C ATOM 461 O ARG A 29 -3.055 4.809 8.050 1.00 4.04 O ATOM 462 CB ARG A 29 -1.793 6.835 10.240 1.00 42.20 C ATOM 463 CG ARG A 29 -0.695 6.906 11.300 1.00 21.03 C ATOM 464 CD ARG A 29 0.276 8.045 11.067 1.00 23.43 C ATOM 465 NE ARG A 29 1.379 8.015 12.026 1.00 41.23 N ATOM 466 CZ ARG A 29 2.447 8.821 12.036 1.00 61.03 C ATOM 467 NH1 ARG A 29 2.578 9.783 11.126 1.00 2.33 N ATOM 468 NH2 ARG A 29 3.374 8.668 12.974 1.00 31.22 N ATOM 0 H ARG A 29 -0.472 8.179 8.490 1.00 31.02 H new ATOM 0 HA ARG A 29 -0.766 5.409 9.008 1.00 44.12 H new ATOM 0 HB2 ARG A 29 -2.214 7.833 10.114 1.00 42.20 H new ATOM 0 HB3 ARG A 29 -2.593 6.197 10.616 1.00 42.20 H new ATOM 0 HG2 ARG A 29 -1.152 7.020 12.283 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -0.146 5.964 11.311 1.00 21.03 H new ATOM 0 HD2 ARG A 29 0.672 7.985 10.053 1.00 23.43 H new ATOM 0 HD3 ARG A 29 -0.251 8.996 11.147 1.00 23.43 H new ATOM 0 HE ARG A 29 1.329 7.309 12.761 1.00 41.23 H new ATOM 0 HH11 ARG A 29 1.861 9.911 10.412 1.00 2.33 H new ATOM 0 HH12 ARG A 29 3.396 10.392 11.142 1.00 2.33 H new ATOM 0 HH21 ARG A 29 3.269 7.940 13.681 1.00 31.22 H new ATOM 0 HH22 ARG A 29 4.191 9.279 12.988 1.00 31.22 H new ATOM 482 N SER A 30 -3.106 6.919 7.288 1.00 3.12 N ATOM 483 CA SER A 30 -4.286 6.740 6.463 1.00 14.12 C ATOM 484 C SER A 30 -4.023 5.732 5.369 1.00 73.34 C ATOM 485 O SER A 30 -4.920 5.019 4.945 1.00 23.04 O ATOM 486 CB SER A 30 -4.733 8.075 5.873 1.00 74.35 C ATOM 487 OG SER A 30 -4.958 9.024 6.905 1.00 11.43 O ATOM 0 H SER A 30 -2.710 7.858 7.244 1.00 3.12 H new ATOM 0 HA SER A 30 -5.090 6.357 7.091 1.00 14.12 H new ATOM 0 HB2 SER A 30 -3.973 8.449 5.187 1.00 74.35 H new ATOM 0 HB3 SER A 30 -5.646 7.936 5.293 1.00 74.35 H new ATOM 0 HG SER A 30 -4.100 9.388 7.208 1.00 11.43 H new ATOM 493 N PHE A 31 -2.817 5.704 4.875 1.00 32.12 N ATOM 494 CA PHE A 31 -2.459 4.696 3.934 1.00 33.43 C ATOM 495 C PHE A 31 -2.252 3.342 4.605 1.00 12.32 C ATOM 496 O PHE A 31 -2.713 2.313 4.093 1.00 72.33 O ATOM 497 CB PHE A 31 -1.274 5.103 3.079 1.00 40.41 C ATOM 498 CG PHE A 31 -0.643 3.925 2.412 1.00 64.22 C ATOM 499 CD1 PHE A 31 -1.260 3.320 1.335 1.00 63.35 C ATOM 500 CD2 PHE A 31 0.528 3.387 2.908 1.00 12.53 C ATOM 501 CE1 PHE A 31 -0.718 2.203 0.751 1.00 31.01 C ATOM 502 CE2 PHE A 31 1.084 2.262 2.334 1.00 51.53 C ATOM 503 CZ PHE A 31 0.457 1.664 1.251 1.00 62.42 C ATOM 0 H PHE A 31 -2.075 6.364 5.109 1.00 32.12 H new ATOM 0 HA PHE A 31 -3.303 4.584 3.253 1.00 33.43 H new ATOM 0 HB2 PHE A 31 -1.599 5.818 2.323 1.00 40.41 H new ATOM 0 HB3 PHE A 31 -0.534 5.609 3.699 1.00 40.41 H new ATOM 0 HD1 PHE A 31 -2.180 3.731 0.948 1.00 63.35 H new ATOM 0 HD2 PHE A 31 1.014 3.851 3.754 1.00 12.53 H new ATOM 0 HE1 PHE A 31 -1.206 1.745 -0.097 1.00 31.01 H new ATOM 0 HE2 PHE A 31 2.002 1.850 2.726 1.00 51.53 H new ATOM 0 HZ PHE A 31 0.883 0.781 0.799 1.00 62.42 H new ATOM 513 N LEU A 32 -1.555 3.338 5.736 1.00 32.20 N ATOM 514 CA LEU A 32 -1.294 2.116 6.479 1.00 2.40 C ATOM 515 C LEU A 32 -2.568 1.382 6.785 1.00 10.01 C ATOM 516 O LEU A 32 -2.620 0.166 6.679 1.00 73.40 O ATOM 517 CB LEU A 32 -0.570 2.415 7.774 1.00 11.02 C ATOM 518 CG LEU A 32 0.836 2.964 7.663 1.00 65.21 C ATOM 519 CD1 LEU A 32 1.370 3.219 9.044 1.00 63.11 C ATOM 520 CD2 LEU A 32 1.748 2.009 6.893 1.00 34.31 C ATOM 0 H LEU A 32 -1.158 4.177 6.159 1.00 32.20 H new ATOM 0 HA LEU A 32 -0.664 1.486 5.851 1.00 2.40 H new ATOM 0 HB2 LEU A 32 -1.169 3.128 8.340 1.00 11.02 H new ATOM 0 HB3 LEU A 32 -0.530 1.497 8.360 1.00 11.02 H new ATOM 0 HG LEU A 32 0.810 3.899 7.104 1.00 65.21 H new ATOM 0 HD11 LEU A 32 2.383 3.615 8.975 1.00 63.11 H new ATOM 0 HD12 LEU A 32 0.732 3.941 9.553 1.00 63.11 H new ATOM 0 HD13 LEU A 32 1.383 2.286 9.607 1.00 63.11 H new ATOM 0 HD21 LEU A 32 2.750 2.433 6.831 1.00 34.31 H new ATOM 0 HD22 LEU A 32 1.791 1.051 7.410 1.00 34.31 H new ATOM 0 HD23 LEU A 32 1.354 1.861 5.887 1.00 34.31 H new ATOM 532 N GLU A 33 -3.611 2.131 7.103 1.00 34.31 N ATOM 533 CA GLU A 33 -4.882 1.553 7.444 1.00 24.20 C ATOM 534 C GLU A 33 -5.463 0.790 6.259 1.00 25.41 C ATOM 535 O GLU A 33 -6.128 -0.204 6.441 1.00 20.32 O ATOM 536 CB GLU A 33 -5.842 2.630 7.947 1.00 72.25 C ATOM 537 CG GLU A 33 -6.558 3.449 6.882 1.00 23.13 C ATOM 538 CD GLU A 33 -7.414 4.519 7.493 1.00 11.40 C ATOM 539 OE1 GLU A 33 -6.882 5.574 7.877 1.00 34.51 O ATOM 540 OE2 GLU A 33 -8.640 4.314 7.636 1.00 74.03 O ATOM 0 H GLU A 33 -3.592 3.150 7.129 1.00 34.31 H new ATOM 0 HA GLU A 33 -4.734 0.837 8.253 1.00 24.20 H new ATOM 0 HB2 GLU A 33 -6.595 2.151 8.573 1.00 72.25 H new ATOM 0 HB3 GLU A 33 -5.284 3.314 8.586 1.00 72.25 H new ATOM 0 HG2 GLU A 33 -5.824 3.904 6.217 1.00 23.13 H new ATOM 0 HG3 GLU A 33 -7.177 2.792 6.271 1.00 23.13 H new ATOM 547 N ILE A 34 -5.152 1.236 5.051 1.00 70.41 N ATOM 548 CA ILE A 34 -5.605 0.602 3.857 1.00 70.44 C ATOM 549 C ILE A 34 -4.847 -0.677 3.669 1.00 72.11 C ATOM 550 O ILE A 34 -5.423 -1.687 3.364 1.00 1.54 O ATOM 551 CB ILE A 34 -5.369 1.516 2.644 1.00 50.40 C ATOM 552 CG1 ILE A 34 -6.164 2.805 2.820 1.00 74.22 C ATOM 553 CG2 ILE A 34 -5.730 0.797 1.340 1.00 1.52 C ATOM 554 CD1 ILE A 34 -5.835 3.870 1.820 1.00 20.04 C ATOM 0 H ILE A 34 -4.571 2.058 4.888 1.00 70.41 H new ATOM 0 HA ILE A 34 -6.673 0.399 3.941 1.00 70.44 H new ATOM 0 HB ILE A 34 -4.311 1.770 2.582 1.00 50.40 H new ATOM 0 HG12 ILE A 34 -7.227 2.575 2.753 1.00 74.22 H new ATOM 0 HG13 ILE A 34 -5.985 3.195 3.822 1.00 74.22 H new ATOM 0 HG21 ILE A 34 -5.555 1.464 0.496 1.00 1.52 H new ATOM 0 HG22 ILE A 34 -5.112 -0.094 1.233 1.00 1.52 H new ATOM 0 HG23 ILE A 34 -6.781 0.509 1.362 1.00 1.52 H new ATOM 0 HD11 ILE A 34 -6.444 4.753 2.015 1.00 20.04 H new ATOM 0 HD12 ILE A 34 -4.780 4.132 1.901 1.00 20.04 H new ATOM 0 HD13 ILE A 34 -6.042 3.502 0.815 1.00 20.04 H new ATOM 566 N LEU A 35 -3.553 -0.622 3.898 1.00 42.11 N ATOM 567 CA LEU A 35 -2.693 -1.754 3.728 1.00 15.44 C ATOM 568 C LEU A 35 -3.039 -2.830 4.782 1.00 53.13 C ATOM 569 O LEU A 35 -3.113 -4.019 4.469 1.00 70.04 O ATOM 570 CB LEU A 35 -1.250 -1.266 3.848 1.00 21.23 C ATOM 571 CG LEU A 35 -0.157 -2.048 3.104 1.00 22.43 C ATOM 572 CD1 LEU A 35 0.058 -3.442 3.676 1.00 1.13 C ATOM 573 CD2 LEU A 35 -0.450 -2.115 1.597 1.00 52.30 C ATOM 0 H LEU A 35 -3.072 0.221 4.210 1.00 42.11 H new ATOM 0 HA LEU A 35 -2.826 -2.215 2.749 1.00 15.44 H new ATOM 0 HB2 LEU A 35 -1.217 -0.234 3.499 1.00 21.23 H new ATOM 0 HB3 LEU A 35 -0.989 -1.254 4.906 1.00 21.23 H new ATOM 0 HG LEU A 35 0.772 -1.498 3.251 1.00 22.43 H new ATOM 0 HD11 LEU A 35 0.841 -3.950 3.113 1.00 1.13 H new ATOM 0 HD12 LEU A 35 0.356 -3.364 4.722 1.00 1.13 H new ATOM 0 HD13 LEU A 35 -0.868 -4.012 3.604 1.00 1.13 H new ATOM 0 HD21 LEU A 35 0.341 -2.674 1.097 1.00 52.30 H new ATOM 0 HD22 LEU A 35 -1.406 -2.613 1.434 1.00 52.30 H new ATOM 0 HD23 LEU A 35 -0.493 -1.105 1.189 1.00 52.30 H new ATOM 585 N HIS A 36 -3.286 -2.397 6.008 1.00 24.32 N ATOM 586 CA HIS A 36 -3.694 -3.303 7.085 1.00 53.01 C ATOM 587 C HIS A 36 -5.071 -3.902 6.778 1.00 4.30 C ATOM 588 O HIS A 36 -5.328 -5.083 7.043 1.00 54.20 O ATOM 589 CB HIS A 36 -3.717 -2.583 8.448 1.00 22.24 C ATOM 590 CG HIS A 36 -2.371 -2.114 8.940 1.00 51.13 C ATOM 591 ND1 HIS A 36 -2.128 -0.849 9.443 1.00 1.14 N ATOM 592 CD2 HIS A 36 -1.193 -2.780 9.031 1.00 4.42 C ATOM 593 CE1 HIS A 36 -0.850 -0.789 9.812 1.00 5.22 C ATOM 594 NE2 HIS A 36 -0.230 -1.937 9.582 1.00 24.21 N ATOM 0 H HIS A 36 -3.212 -1.419 6.289 1.00 24.32 H new ATOM 0 HA HIS A 36 -2.960 -4.106 7.144 1.00 53.01 H new ATOM 0 HB2 HIS A 36 -4.382 -1.722 8.377 1.00 22.24 H new ATOM 0 HB3 HIS A 36 -4.145 -3.256 9.191 1.00 22.24 H new ATOM 0 HD2 HIS A 36 -1.027 -3.802 8.725 1.00 4.42 H new ATOM 0 HE1 HIS A 36 -0.380 0.083 10.243 1.00 5.22 H new ATOM 0 HE2 HIS A 36 0.748 -2.158 9.769 1.00 24.21 H new ATOM 602 N THR A 37 -5.937 -3.079 6.221 1.00 1.31 N ATOM 603 CA THR A 37 -7.245 -3.478 5.766 1.00 22.44 C ATOM 604 C THR A 37 -7.113 -4.508 4.647 1.00 25.11 C ATOM 605 O THR A 37 -7.750 -5.562 4.672 1.00 13.23 O ATOM 606 CB THR A 37 -7.978 -2.200 5.286 1.00 10.45 C ATOM 607 OG1 THR A 37 -8.489 -1.455 6.395 1.00 2.55 O ATOM 608 CG2 THR A 37 -9.022 -2.414 4.204 1.00 11.21 C ATOM 0 H THR A 37 -5.741 -2.089 6.070 1.00 1.31 H new ATOM 0 HA THR A 37 -7.818 -3.948 6.566 1.00 22.44 H new ATOM 0 HB THR A 37 -7.213 -1.605 4.787 1.00 10.45 H new ATOM 0 HG1 THR A 37 -7.813 -0.813 6.697 1.00 2.55 H new ATOM 0 HG21 THR A 37 -9.474 -1.458 3.941 1.00 11.21 H new ATOM 0 HG22 THR A 37 -8.549 -2.847 3.322 1.00 11.21 H new ATOM 0 HG23 THR A 37 -9.793 -3.091 4.571 1.00 11.21 H new ATOM 616 N TYR A 38 -6.230 -4.202 3.735 1.00 4.01 N ATOM 617 CA TYR A 38 -5.953 -4.971 2.563 1.00 20.23 C ATOM 618 C TYR A 38 -5.559 -6.385 2.916 1.00 65.54 C ATOM 619 O TYR A 38 -6.158 -7.326 2.419 1.00 64.20 O ATOM 620 CB TYR A 38 -4.838 -4.272 1.806 1.00 15.35 C ATOM 621 CG TYR A 38 -4.509 -4.833 0.482 1.00 11.32 C ATOM 622 CD1 TYR A 38 -5.387 -4.680 -0.540 1.00 34.42 C ATOM 623 CD2 TYR A 38 -3.299 -5.465 0.241 1.00 50.52 C ATOM 624 CE1 TYR A 38 -5.090 -5.140 -1.811 1.00 25.04 C ATOM 625 CE2 TYR A 38 -2.989 -5.939 -1.016 1.00 2.14 C ATOM 626 CZ TYR A 38 -3.892 -5.771 -2.041 1.00 53.54 C ATOM 627 OH TYR A 38 -3.591 -6.216 -3.297 1.00 32.43 O ATOM 0 H TYR A 38 -5.655 -3.362 3.798 1.00 4.01 H new ATOM 0 HA TYR A 38 -6.847 -5.040 1.943 1.00 20.23 H new ATOM 0 HB2 TYR A 38 -5.113 -3.225 1.678 1.00 15.35 H new ATOM 0 HB3 TYR A 38 -3.939 -4.292 2.422 1.00 15.35 H new ATOM 0 HD1 TYR A 38 -6.333 -4.191 -0.359 1.00 34.42 H new ATOM 0 HD2 TYR A 38 -2.591 -5.588 1.047 1.00 50.52 H new ATOM 0 HE1 TYR A 38 -5.796 -5.004 -2.617 1.00 25.04 H new ATOM 0 HE2 TYR A 38 -2.047 -6.437 -1.194 1.00 2.14 H new ATOM 0 HH TYR A 38 -2.707 -6.638 -3.291 1.00 32.43 H new ATOM 637 N GLN A 39 -4.581 -6.522 3.801 1.00 32.33 N ATOM 638 CA GLN A 39 -4.101 -7.829 4.217 1.00 53.25 C ATOM 639 C GLN A 39 -5.234 -8.665 4.800 1.00 34.12 C ATOM 640 O GLN A 39 -5.462 -9.801 4.386 1.00 73.23 O ATOM 641 CB GLN A 39 -2.983 -7.689 5.246 1.00 52.25 C ATOM 642 CG GLN A 39 -1.753 -6.930 4.758 1.00 53.42 C ATOM 643 CD GLN A 39 -1.011 -7.588 3.595 1.00 30.20 C ATOM 644 OE1 GLN A 39 -1.596 -8.276 2.747 1.00 20.02 O ATOM 645 NE2 GLN A 39 0.286 -7.405 3.558 1.00 5.34 N ATOM 0 H GLN A 39 -4.103 -5.738 4.246 1.00 32.33 H new ATOM 0 HA GLN A 39 -3.710 -8.336 3.335 1.00 53.25 H new ATOM 0 HB2 GLN A 39 -3.380 -7.182 6.125 1.00 52.25 H new ATOM 0 HB3 GLN A 39 -2.675 -8.685 5.564 1.00 52.25 H new ATOM 0 HG2 GLN A 39 -2.058 -5.928 4.455 1.00 53.42 H new ATOM 0 HG3 GLN A 39 -1.061 -6.814 5.592 1.00 53.42 H new ATOM 0 HE21 GLN A 39 0.741 -6.833 4.270 1.00 5.34 H new ATOM 0 HE22 GLN A 39 0.841 -7.834 2.817 1.00 5.34 H new ATOM 654 N LYS A 40 -5.994 -8.056 5.684 1.00 13.54 N ATOM 655 CA LYS A 40 -7.052 -8.718 6.377 1.00 4.32 C ATOM 656 C LYS A 40 -8.204 -9.122 5.434 1.00 11.20 C ATOM 657 O LYS A 40 -8.685 -10.252 5.497 1.00 72.00 O ATOM 658 CB LYS A 40 -7.473 -7.849 7.590 1.00 0.55 C ATOM 659 CG LYS A 40 -8.663 -8.342 8.384 1.00 2.12 C ATOM 660 CD LYS A 40 -9.941 -7.854 7.768 1.00 54.32 C ATOM 661 CE LYS A 40 -11.154 -8.445 8.448 1.00 73.14 C ATOM 662 NZ LYS A 40 -12.416 -7.840 7.978 1.00 21.13 N ATOM 0 H LYS A 40 -5.884 -7.074 5.937 1.00 13.54 H new ATOM 0 HA LYS A 40 -6.705 -9.673 6.771 1.00 4.32 H new ATOM 0 HB2 LYS A 40 -6.621 -7.767 8.265 1.00 0.55 H new ATOM 0 HB3 LYS A 40 -7.693 -6.844 7.231 1.00 0.55 H new ATOM 0 HG2 LYS A 40 -8.660 -9.432 8.417 1.00 2.12 H new ATOM 0 HG3 LYS A 40 -8.591 -7.992 9.414 1.00 2.12 H new ATOM 0 HD2 LYS A 40 -9.983 -6.767 7.831 1.00 54.32 H new ATOM 0 HD3 LYS A 40 -9.956 -8.113 6.709 1.00 54.32 H new ATOM 0 HE2 LYS A 40 -11.180 -9.520 8.267 1.00 73.14 H new ATOM 0 HE3 LYS A 40 -11.067 -8.305 9.525 1.00 73.14 H new ATOM 0 HZ1 LYS A 40 -13.219 -8.291 8.462 1.00 21.13 H new ATOM 0 HZ2 LYS A 40 -12.412 -6.822 8.189 1.00 21.13 H new ATOM 0 HZ3 LYS A 40 -12.507 -7.981 6.952 1.00 21.13 H new ATOM 676 N GLU A 41 -8.596 -8.233 4.539 1.00 21.11 N ATOM 677 CA GLU A 41 -9.695 -8.511 3.608 1.00 2.15 C ATOM 678 C GLU A 41 -9.348 -9.603 2.591 1.00 65.23 C ATOM 679 O GLU A 41 -10.239 -10.217 2.020 1.00 2.15 O ATOM 680 CB GLU A 41 -10.160 -7.237 2.892 1.00 35.14 C ATOM 681 CG GLU A 41 -10.850 -6.218 3.799 1.00 44.42 C ATOM 682 CD GLU A 41 -12.183 -6.703 4.344 1.00 11.22 C ATOM 683 OE1 GLU A 41 -12.203 -7.451 5.338 1.00 23.32 O ATOM 684 OE2 GLU A 41 -13.244 -6.310 3.802 1.00 53.30 O ATOM 0 H GLU A 41 -8.175 -7.310 4.431 1.00 21.11 H new ATOM 0 HA GLU A 41 -10.518 -8.887 4.215 1.00 2.15 H new ATOM 0 HB2 GLU A 41 -9.297 -6.763 2.424 1.00 35.14 H new ATOM 0 HB3 GLU A 41 -10.845 -7.515 2.091 1.00 35.14 H new ATOM 0 HG2 GLU A 41 -10.190 -5.979 4.633 1.00 44.42 H new ATOM 0 HG3 GLU A 41 -11.008 -5.294 3.242 1.00 44.42 H new ATOM 691 N GLN A 42 -8.065 -9.850 2.368 1.00 25.11 N ATOM 692 CA GLN A 42 -7.684 -10.891 1.433 1.00 52.34 C ATOM 693 C GLN A 42 -7.574 -12.232 2.146 1.00 45.40 C ATOM 694 O GLN A 42 -7.830 -13.288 1.557 1.00 3.12 O ATOM 695 CB GLN A 42 -6.383 -10.556 0.713 1.00 72.14 C ATOM 696 CG GLN A 42 -6.377 -9.180 0.059 1.00 55.51 C ATOM 697 CD GLN A 42 -7.542 -8.931 -0.882 1.00 42.50 C ATOM 698 OE1 GLN A 42 -8.055 -9.837 -1.548 1.00 62.43 O ATOM 699 NE2 GLN A 42 -7.992 -7.705 -0.911 1.00 71.34 N ATOM 0 H GLN A 42 -7.290 -9.356 2.810 1.00 25.11 H new ATOM 0 HA GLN A 42 -8.466 -10.958 0.677 1.00 52.34 H new ATOM 0 HB2 GLN A 42 -5.560 -10.613 1.425 1.00 72.14 H new ATOM 0 HB3 GLN A 42 -6.197 -11.311 -0.050 1.00 72.14 H new ATOM 0 HG2 GLN A 42 -6.387 -8.419 0.840 1.00 55.51 H new ATOM 0 HG3 GLN A 42 -5.446 -9.057 -0.494 1.00 55.51 H new ATOM 0 HE21 GLN A 42 -7.543 -6.983 -0.347 1.00 71.34 H new ATOM 0 HE22 GLN A 42 -8.793 -7.469 -1.497 1.00 71.34 H new ATOM 708 N LEU A 43 -7.184 -12.193 3.412 1.00 74.41 N ATOM 709 CA LEU A 43 -7.099 -13.404 4.220 1.00 2.31 C ATOM 710 C LEU A 43 -8.482 -13.873 4.660 1.00 23.21 C ATOM 711 O LEU A 43 -8.736 -15.078 4.781 1.00 1.01 O ATOM 712 CB LEU A 43 -6.151 -13.240 5.436 1.00 4.21 C ATOM 713 CG LEU A 43 -4.647 -13.481 5.221 1.00 51.13 C ATOM 714 CD1 LEU A 43 -4.421 -14.908 4.857 1.00 12.32 C ATOM 715 CD2 LEU A 43 -4.053 -12.565 4.159 1.00 52.22 C ATOM 0 H LEU A 43 -6.922 -11.338 3.902 1.00 74.41 H new ATOM 0 HA LEU A 43 -6.665 -14.175 3.584 1.00 2.31 H new ATOM 0 HB2 LEU A 43 -6.275 -12.228 5.821 1.00 4.21 H new ATOM 0 HB3 LEU A 43 -6.489 -13.921 6.217 1.00 4.21 H new ATOM 0 HG LEU A 43 -4.138 -13.248 6.156 1.00 51.13 H new ATOM 0 HD11 LEU A 43 -3.356 -15.080 4.704 1.00 12.32 H new ATOM 0 HD12 LEU A 43 -4.781 -15.550 5.661 1.00 12.32 H new ATOM 0 HD13 LEU A 43 -4.961 -15.139 3.939 1.00 12.32 H new ATOM 0 HD21 LEU A 43 -2.990 -12.778 4.048 1.00 52.22 H new ATOM 0 HD22 LEU A 43 -4.558 -12.735 3.208 1.00 52.22 H new ATOM 0 HD23 LEU A 43 -4.185 -11.526 4.460 1.00 52.22 H new ATOM 727 N HIS A 44 -9.369 -12.939 4.893 1.00 35.50 N ATOM 728 CA HIS A 44 -10.732 -13.266 5.250 1.00 41.31 C ATOM 729 C HIS A 44 -11.578 -13.366 4.006 1.00 75.01 C ATOM 730 O HIS A 44 -12.062 -12.352 3.492 1.00 33.01 O ATOM 731 CB HIS A 44 -11.355 -12.236 6.195 1.00 33.03 C ATOM 732 CG HIS A 44 -10.840 -12.232 7.596 1.00 10.30 C ATOM 733 ND1 HIS A 44 -11.625 -12.518 8.692 1.00 32.24 N ATOM 734 CD2 HIS A 44 -9.627 -11.899 8.085 1.00 15.11 C ATOM 735 CE1 HIS A 44 -10.890 -12.347 9.783 1.00 53.41 C ATOM 736 NE2 HIS A 44 -9.661 -11.968 9.472 1.00 72.42 N ATOM 0 H HIS A 44 -9.173 -11.939 4.842 1.00 35.50 H new ATOM 0 HA HIS A 44 -10.702 -14.222 5.772 1.00 41.31 H new ATOM 0 HB2 HIS A 44 -11.201 -11.244 5.770 1.00 33.03 H new ATOM 0 HB3 HIS A 44 -12.431 -12.406 6.226 1.00 33.03 H new ATOM 0 HD2 HIS A 44 -8.767 -11.623 7.493 1.00 15.11 H new ATOM 0 HE1 HIS A 44 -11.247 -12.497 10.791 1.00 53.41 H new ATOM 0 HE2 HIS A 44 -8.897 -11.768 10.117 1.00 72.42 H new ATOM 744 N THR A 45 -11.714 -14.568 3.503 1.00 34.31 N ATOM 745 CA THR A 45 -12.520 -14.823 2.338 1.00 30.45 C ATOM 746 C THR A 45 -13.976 -14.508 2.624 1.00 4.10 C ATOM 747 O THR A 45 -14.620 -15.155 3.455 1.00 22.31 O ATOM 748 CB THR A 45 -12.339 -16.274 1.868 1.00 72.33 C ATOM 749 OG1 THR A 45 -12.379 -17.157 3.016 1.00 32.42 O ATOM 750 CG2 THR A 45 -11.016 -16.442 1.136 1.00 22.21 C ATOM 0 H THR A 45 -11.267 -15.398 3.892 1.00 34.31 H new ATOM 0 HA THR A 45 -12.191 -14.169 1.530 1.00 30.45 H new ATOM 0 HB THR A 45 -13.146 -16.525 1.180 1.00 72.33 H new ATOM 0 HG1 THR A 45 -13.111 -16.889 3.609 1.00 32.42 H new ATOM 0 HG21 THR A 45 -10.908 -17.477 0.812 1.00 22.21 H new ATOM 0 HG22 THR A 45 -10.996 -15.785 0.266 1.00 22.21 H new ATOM 0 HG23 THR A 45 -10.195 -16.184 1.805 1.00 22.21 H new ATOM 758 N LYS A 46 -14.467 -13.511 1.967 1.00 70.13 N ATOM 759 CA LYS A 46 -15.780 -13.042 2.212 1.00 44.42 C ATOM 760 C LYS A 46 -16.645 -13.177 0.987 1.00 21.11 C ATOM 761 O LYS A 46 -16.178 -13.019 -0.142 1.00 22.42 O ATOM 762 CB LYS A 46 -15.711 -11.618 2.718 1.00 51.03 C ATOM 763 CG LYS A 46 -15.029 -10.636 1.767 1.00 44.12 C ATOM 764 CD LYS A 46 -14.855 -9.284 2.422 1.00 20.31 C ATOM 765 CE LYS A 46 -16.186 -8.627 2.725 1.00 15.23 C ATOM 766 NZ LYS A 46 -16.003 -7.395 3.508 1.00 20.42 N ATOM 0 H LYS A 46 -13.963 -13.000 1.243 1.00 70.13 H new ATOM 0 HA LYS A 46 -16.250 -13.655 2.981 1.00 44.42 H new ATOM 0 HB2 LYS A 46 -16.724 -11.267 2.916 1.00 51.03 H new ATOM 0 HB3 LYS A 46 -15.179 -11.610 3.670 1.00 51.03 H new ATOM 0 HG2 LYS A 46 -14.057 -11.028 1.469 1.00 44.12 H new ATOM 0 HG3 LYS A 46 -15.623 -10.531 0.859 1.00 44.12 H new ATOM 0 HD2 LYS A 46 -14.288 -9.399 3.346 1.00 20.31 H new ATOM 0 HD3 LYS A 46 -14.271 -8.636 1.768 1.00 20.31 H new ATOM 0 HE2 LYS A 46 -16.701 -8.396 1.793 1.00 15.23 H new ATOM 0 HE3 LYS A 46 -16.820 -9.321 3.276 1.00 15.23 H new ATOM 0 HZ1 LYS A 46 -16.868 -6.820 3.458 1.00 20.42 H new ATOM 0 HZ2 LYS A 46 -15.806 -7.640 4.499 1.00 20.42 H new ATOM 0 HZ3 LYS A 46 -15.205 -6.853 3.120 1.00 20.42 H new ATOM 780 N GLY A 47 -17.889 -13.467 1.213 1.00 73.33 N ATOM 781 CA GLY A 47 -18.802 -13.717 0.141 1.00 41.52 C ATOM 782 C GLY A 47 -19.922 -12.716 0.092 1.00 43.35 C ATOM 783 O GLY A 47 -20.605 -12.586 -0.925 1.00 44.40 O ATOM 0 H GLY A 47 -18.300 -13.537 2.144 1.00 73.33 H new ATOM 0 HA2 GLY A 47 -18.260 -13.698 -0.805 1.00 41.52 H new ATOM 0 HA3 GLY A 47 -19.219 -14.718 0.249 1.00 41.52 H new ATOM 787 N ARG A 48 -20.126 -12.002 1.180 1.00 74.43 N ATOM 788 CA ARG A 48 -21.166 -10.999 1.218 1.00 71.54 C ATOM 789 C ARG A 48 -20.671 -9.748 0.508 1.00 45.34 C ATOM 790 O ARG A 48 -19.534 -9.312 0.745 1.00 5.32 O ATOM 791 CB ARG A 48 -21.563 -10.646 2.656 1.00 62.23 C ATOM 792 CG ARG A 48 -22.729 -9.665 2.733 1.00 31.01 C ATOM 793 CD ARG A 48 -23.112 -9.310 4.155 1.00 2.12 C ATOM 794 NE ARG A 48 -22.033 -8.618 4.878 1.00 21.41 N ATOM 795 CZ ARG A 48 -22.212 -7.825 5.948 1.00 33.34 C ATOM 796 NH1 ARG A 48 -23.438 -7.600 6.414 1.00 64.32 N ATOM 797 NH2 ARG A 48 -21.162 -7.257 6.535 1.00 14.42 N ATOM 0 H ARG A 48 -19.589 -12.097 2.042 1.00 74.43 H new ATOM 0 HA ARG A 48 -22.048 -11.401 0.719 1.00 71.54 H new ATOM 0 HB2 ARG A 48 -21.829 -11.560 3.187 1.00 62.23 H new ATOM 0 HB3 ARG A 48 -20.702 -10.218 3.169 1.00 62.23 H new ATOM 0 HG2 ARG A 48 -22.466 -8.754 2.195 1.00 31.01 H new ATOM 0 HG3 ARG A 48 -23.593 -10.096 2.227 1.00 31.01 H new ATOM 0 HD2 ARG A 48 -23.999 -8.676 4.141 1.00 2.12 H new ATOM 0 HD3 ARG A 48 -23.379 -10.220 4.693 1.00 2.12 H new ATOM 0 HE ARG A 48 -21.079 -8.750 4.542 1.00 21.41 H new ATOM 0 HH11 ARG A 48 -24.243 -8.030 5.959 1.00 64.32 H new ATOM 0 HH12 ARG A 48 -23.572 -6.998 7.226 1.00 64.32 H new ATOM 0 HH21 ARG A 48 -20.223 -7.424 6.173 1.00 14.42 H new ATOM 0 HH22 ARG A 48 -21.296 -6.655 7.347 1.00 14.42 H new ATOM 811 N PRO A 49 -21.473 -9.183 -0.398 1.00 1.05 N ATOM 812 CA PRO A 49 -21.120 -7.960 -1.089 1.00 31.34 C ATOM 813 C PRO A 49 -21.257 -6.760 -0.177 1.00 33.00 C ATOM 814 O PRO A 49 -22.317 -6.137 -0.061 1.00 44.31 O ATOM 815 CB PRO A 49 -22.072 -7.897 -2.277 1.00 5.25 C ATOM 816 CG PRO A 49 -23.267 -8.690 -1.846 1.00 65.53 C ATOM 817 CD PRO A 49 -22.783 -9.696 -0.822 1.00 22.13 C ATOM 0 HA PRO A 49 -20.080 -7.949 -1.414 1.00 31.34 H new ATOM 0 HB2 PRO A 49 -22.343 -6.868 -2.513 1.00 5.25 H new ATOM 0 HB3 PRO A 49 -21.617 -8.321 -3.172 1.00 5.25 H new ATOM 0 HG2 PRO A 49 -24.028 -8.038 -1.417 1.00 65.53 H new ATOM 0 HG3 PRO A 49 -23.723 -9.195 -2.698 1.00 65.53 H new ATOM 0 HD2 PRO A 49 -23.472 -9.770 0.019 1.00 22.13 H new ATOM 0 HD3 PRO A 49 -22.699 -10.693 -1.254 1.00 22.13 H new ATOM 825 N PHE A 50 -20.195 -6.507 0.514 1.00 72.15 N ATOM 826 CA PHE A 50 -20.107 -5.481 1.484 1.00 20.11 C ATOM 827 C PHE A 50 -18.632 -5.196 1.635 1.00 33.41 C ATOM 828 O PHE A 50 -17.969 -5.745 2.517 1.00 1.34 O ATOM 829 CB PHE A 50 -20.701 -6.013 2.787 1.00 30.54 C ATOM 830 CG PHE A 50 -20.943 -5.000 3.889 1.00 45.42 C ATOM 831 CD1 PHE A 50 -19.898 -4.504 4.657 1.00 53.44 C ATOM 832 CD2 PHE A 50 -22.230 -4.578 4.175 1.00 51.30 C ATOM 833 CE1 PHE A 50 -20.132 -3.607 5.679 1.00 60.14 C ATOM 834 CE2 PHE A 50 -22.471 -3.676 5.195 1.00 63.21 C ATOM 835 CZ PHE A 50 -21.421 -3.193 5.947 1.00 71.45 C ATOM 0 H PHE A 50 -19.330 -7.037 0.409 1.00 72.15 H new ATOM 0 HA PHE A 50 -20.646 -4.574 1.210 1.00 20.11 H new ATOM 0 HB2 PHE A 50 -21.650 -6.497 2.556 1.00 30.54 H new ATOM 0 HB3 PHE A 50 -20.035 -6.785 3.174 1.00 30.54 H new ATOM 0 HD1 PHE A 50 -18.887 -4.825 4.451 1.00 53.44 H new ATOM 0 HD2 PHE A 50 -23.057 -4.958 3.594 1.00 51.30 H new ATOM 0 HE1 PHE A 50 -19.309 -3.230 6.268 1.00 60.14 H new ATOM 0 HE2 PHE A 50 -23.480 -3.350 5.402 1.00 63.21 H new ATOM 0 HZ PHE A 50 -21.607 -2.491 6.746 1.00 71.45 H new ATOM 845 N ARG A 51 -18.114 -4.460 0.675 1.00 41.34 N ATOM 846 CA ARG A 51 -16.700 -4.131 0.590 1.00 15.21 C ATOM 847 C ARG A 51 -15.818 -5.357 0.530 1.00 74.52 C ATOM 848 O ARG A 51 -15.111 -5.691 1.482 1.00 5.34 O ATOM 849 CB ARG A 51 -16.215 -3.127 1.651 1.00 34.13 C ATOM 850 CG ARG A 51 -16.399 -1.665 1.270 1.00 72.42 C ATOM 851 CD ARG A 51 -17.843 -1.311 0.989 1.00 32.40 C ATOM 852 NE ARG A 51 -17.972 0.053 0.472 1.00 62.24 N ATOM 853 CZ ARG A 51 -19.025 0.522 -0.213 1.00 71.11 C ATOM 854 NH1 ARG A 51 -20.085 -0.257 -0.448 1.00 74.41 N ATOM 855 NH2 ARG A 51 -19.012 1.766 -0.669 1.00 13.34 N ATOM 0 H ARG A 51 -18.670 -4.065 -0.083 1.00 41.34 H new ATOM 0 HA ARG A 51 -16.601 -3.612 -0.364 1.00 15.21 H new ATOM 0 HB2 ARG A 51 -16.749 -3.316 2.582 1.00 34.13 H new ATOM 0 HB3 ARG A 51 -15.158 -3.308 1.847 1.00 34.13 H new ATOM 0 HG2 ARG A 51 -16.025 -1.034 2.076 1.00 72.42 H new ATOM 0 HG3 ARG A 51 -15.797 -1.445 0.388 1.00 72.42 H new ATOM 0 HD2 ARG A 51 -18.257 -2.015 0.267 1.00 32.40 H new ATOM 0 HD3 ARG A 51 -18.428 -1.411 1.904 1.00 32.40 H new ATOM 0 HE ARG A 51 -17.200 0.697 0.647 1.00 62.24 H new ATOM 0 HH11 ARG A 51 -20.098 -1.218 -0.105 1.00 74.41 H new ATOM 0 HH12 ARG A 51 -20.881 0.109 -0.970 1.00 74.41 H new ATOM 0 HH21 ARG A 51 -18.203 2.363 -0.499 1.00 13.34 H new ATOM 0 HH22 ARG A 51 -19.811 2.126 -1.191 1.00 13.34 H new ATOM 869 N GLY A 52 -15.936 -6.074 -0.552 1.00 32.31 N ATOM 870 CA GLY A 52 -15.072 -7.192 -0.802 1.00 54.11 C ATOM 871 C GLY A 52 -13.852 -6.654 -1.452 1.00 52.15 C ATOM 872 O GLY A 52 -13.695 -6.788 -2.663 1.00 21.20 O ATOM 0 H GLY A 52 -16.629 -5.901 -1.281 1.00 32.31 H new ATOM 0 HA2 GLY A 52 -14.821 -7.702 0.128 1.00 54.11 H new ATOM 0 HA3 GLY A 52 -15.562 -7.923 -1.445 1.00 54.11 H new ATOM 876 N MET A 53 -13.010 -6.033 -0.612 1.00 3.43 N ATOM 877 CA MET A 53 -11.874 -5.195 -1.009 1.00 63.35 C ATOM 878 C MET A 53 -11.105 -5.736 -2.183 1.00 32.31 C ATOM 879 O MET A 53 -10.252 -6.631 -2.051 1.00 11.13 O ATOM 880 CB MET A 53 -10.906 -4.949 0.139 1.00 5.34 C ATOM 881 CG MET A 53 -10.296 -3.568 0.109 1.00 32.14 C ATOM 882 SD MET A 53 -8.826 -3.457 1.138 1.00 54.41 S ATOM 883 CE MET A 53 -8.474 -1.689 1.094 1.00 33.23 C ATOM 0 H MET A 53 -13.108 -6.105 0.401 1.00 3.43 H new ATOM 0 HA MET A 53 -12.331 -4.252 -1.309 1.00 63.35 H new ATOM 0 HB2 MET A 53 -11.429 -5.089 1.085 1.00 5.34 H new ATOM 0 HB3 MET A 53 -10.110 -5.693 0.102 1.00 5.34 H new ATOM 0 HG2 MET A 53 -10.040 -3.307 -0.918 1.00 32.14 H new ATOM 0 HG3 MET A 53 -11.032 -2.839 0.449 1.00 32.14 H new ATOM 0 HE1 MET A 53 -7.405 -1.527 1.231 1.00 33.23 H new ATOM 0 HE2 MET A 53 -8.782 -1.280 0.132 1.00 33.23 H new ATOM 0 HE3 MET A 53 -9.022 -1.189 1.893 1.00 33.23 H new ATOM 893 N SER A 54 -11.416 -5.217 -3.316 1.00 12.43 N ATOM 894 CA SER A 54 -10.751 -5.577 -4.489 1.00 3.01 C ATOM 895 C SER A 54 -9.555 -4.683 -4.638 1.00 3.54 C ATOM 896 O SER A 54 -9.577 -3.528 -4.203 1.00 10.12 O ATOM 897 CB SER A 54 -11.681 -5.425 -5.683 1.00 32.05 C ATOM 898 OG SER A 54 -11.053 -5.851 -6.885 1.00 73.10 O ATOM 0 H SER A 54 -12.152 -4.522 -3.443 1.00 12.43 H new ATOM 0 HA SER A 54 -10.433 -6.619 -4.441 1.00 3.01 H new ATOM 0 HB2 SER A 54 -12.587 -6.008 -5.517 1.00 32.05 H new ATOM 0 HB3 SER A 54 -11.986 -4.383 -5.779 1.00 32.05 H new ATOM 0 HG SER A 54 -11.675 -5.743 -7.635 1.00 73.10 H new ATOM 904 N GLU A 55 -8.541 -5.209 -5.266 1.00 11.54 N ATOM 905 CA GLU A 55 -7.290 -4.560 -5.518 1.00 51.52 C ATOM 906 C GLU A 55 -7.504 -3.177 -6.162 1.00 5.01 C ATOM 907 O GLU A 55 -6.798 -2.223 -5.868 1.00 35.11 O ATOM 908 CB GLU A 55 -6.549 -5.468 -6.453 1.00 20.43 C ATOM 909 CG GLU A 55 -5.146 -5.099 -6.698 1.00 52.23 C ATOM 910 CD GLU A 55 -4.523 -6.027 -7.682 1.00 62.32 C ATOM 911 OE1 GLU A 55 -4.205 -7.182 -7.329 1.00 62.20 O ATOM 912 OE2 GLU A 55 -4.401 -5.648 -8.863 1.00 73.42 O ATOM 0 H GLU A 55 -8.570 -6.159 -5.637 1.00 11.54 H new ATOM 0 HA GLU A 55 -6.737 -4.388 -4.595 1.00 51.52 H new ATOM 0 HB2 GLU A 55 -6.577 -6.481 -6.050 1.00 20.43 H new ATOM 0 HB3 GLU A 55 -7.075 -5.489 -7.407 1.00 20.43 H new ATOM 0 HG2 GLU A 55 -5.093 -4.076 -7.071 1.00 52.23 H new ATOM 0 HG3 GLU A 55 -4.589 -5.126 -5.762 1.00 52.23 H new ATOM 919 N GLU A 56 -8.511 -3.090 -7.000 1.00 63.22 N ATOM 920 CA GLU A 56 -8.877 -1.893 -7.673 1.00 71.13 C ATOM 921 C GLU A 56 -9.351 -0.797 -6.713 1.00 71.32 C ATOM 922 O GLU A 56 -8.869 0.325 -6.776 1.00 13.12 O ATOM 923 CB GLU A 56 -9.947 -2.238 -8.651 1.00 71.04 C ATOM 924 CG GLU A 56 -9.476 -3.173 -9.732 1.00 25.54 C ATOM 925 CD GLU A 56 -10.571 -3.546 -10.671 1.00 11.13 C ATOM 926 OE1 GLU A 56 -10.921 -2.735 -11.548 1.00 62.12 O ATOM 927 OE2 GLU A 56 -11.091 -4.669 -10.571 1.00 40.50 O ATOM 0 H GLU A 56 -9.109 -3.883 -7.231 1.00 63.22 H new ATOM 0 HA GLU A 56 -8.001 -1.485 -8.178 1.00 71.13 H new ATOM 0 HB2 GLU A 56 -10.782 -2.696 -8.121 1.00 71.04 H new ATOM 0 HB3 GLU A 56 -10.323 -1.323 -9.108 1.00 71.04 H new ATOM 0 HG2 GLU A 56 -8.666 -2.702 -10.290 1.00 25.54 H new ATOM 0 HG3 GLU A 56 -9.067 -4.075 -9.277 1.00 25.54 H new ATOM 934 N GLU A 57 -10.246 -1.142 -5.785 1.00 1.12 N ATOM 935 CA GLU A 57 -10.802 -0.156 -4.851 1.00 24.02 C ATOM 936 C GLU A 57 -9.749 0.190 -3.805 1.00 21.24 C ATOM 937 O GLU A 57 -9.804 1.244 -3.141 1.00 22.24 O ATOM 938 CB GLU A 57 -12.069 -0.693 -4.207 1.00 23.43 C ATOM 939 CG GLU A 57 -11.804 -1.607 -3.069 1.00 24.14 C ATOM 940 CD GLU A 57 -13.026 -2.317 -2.598 1.00 70.21 C ATOM 941 OE1 GLU A 57 -13.382 -3.329 -3.215 1.00 33.43 O ATOM 942 OE2 GLU A 57 -13.650 -1.875 -1.618 1.00 3.05 O ATOM 0 H GLU A 57 -10.601 -2.090 -5.659 1.00 1.12 H new ATOM 0 HA GLU A 57 -11.070 0.752 -5.390 1.00 24.02 H new ATOM 0 HB2 GLU A 57 -12.675 0.144 -3.859 1.00 23.43 H new ATOM 0 HB3 GLU A 57 -12.656 -1.220 -4.959 1.00 23.43 H new ATOM 0 HG2 GLU A 57 -11.055 -2.341 -3.366 1.00 24.14 H new ATOM 0 HG3 GLU A 57 -11.380 -1.036 -2.243 1.00 24.14 H new ATOM 949 N VAL A 58 -8.799 -0.715 -3.666 1.00 44.12 N ATOM 950 CA VAL A 58 -7.668 -0.534 -2.845 1.00 60.22 C ATOM 951 C VAL A 58 -6.800 0.532 -3.472 1.00 62.42 C ATOM 952 O VAL A 58 -6.517 1.567 -2.855 1.00 53.41 O ATOM 953 CB VAL A 58 -6.889 -1.861 -2.753 1.00 0.31 C ATOM 954 CG1 VAL A 58 -5.524 -1.673 -2.160 1.00 24.42 C ATOM 955 CG2 VAL A 58 -7.666 -2.853 -1.945 1.00 24.53 C ATOM 0 H VAL A 58 -8.815 -1.615 -4.145 1.00 44.12 H new ATOM 0 HA VAL A 58 -7.965 -0.230 -1.841 1.00 60.22 H new ATOM 0 HB VAL A 58 -6.756 -2.236 -3.768 1.00 0.31 H new ATOM 0 HG11 VAL A 58 -5.012 -2.634 -2.115 1.00 24.42 H new ATOM 0 HG12 VAL A 58 -4.950 -0.984 -2.780 1.00 24.42 H new ATOM 0 HG13 VAL A 58 -5.618 -1.264 -1.154 1.00 24.42 H new ATOM 0 HG21 VAL A 58 -7.110 -3.788 -1.884 1.00 24.53 H new ATOM 0 HG22 VAL A 58 -7.825 -2.460 -0.941 1.00 24.53 H new ATOM 0 HG23 VAL A 58 -8.630 -3.035 -2.421 1.00 24.53 H new ATOM 965 N PHE A 59 -6.464 0.304 -4.740 1.00 32.40 N ATOM 966 CA PHE A 59 -5.619 1.181 -5.509 1.00 12.15 C ATOM 967 C PHE A 59 -6.213 2.581 -5.571 1.00 40.13 C ATOM 968 O PHE A 59 -5.483 3.544 -5.569 1.00 14.04 O ATOM 969 CB PHE A 59 -5.381 0.598 -6.914 1.00 44.10 C ATOM 970 CG PHE A 59 -4.360 1.349 -7.739 1.00 42.23 C ATOM 971 CD1 PHE A 59 -3.003 1.146 -7.531 1.00 23.02 C ATOM 972 CD2 PHE A 59 -4.754 2.254 -8.715 1.00 31.34 C ATOM 973 CE1 PHE A 59 -2.060 1.829 -8.277 1.00 20.40 C ATOM 974 CE2 PHE A 59 -3.817 2.940 -9.463 1.00 44.42 C ATOM 975 CZ PHE A 59 -2.467 2.727 -9.243 1.00 5.13 C ATOM 0 H PHE A 59 -6.783 -0.513 -5.260 1.00 32.40 H new ATOM 0 HA PHE A 59 -4.651 1.261 -5.015 1.00 12.15 H new ATOM 0 HB2 PHE A 59 -5.058 -0.438 -6.814 1.00 44.10 H new ATOM 0 HB3 PHE A 59 -6.328 0.586 -7.454 1.00 44.10 H new ATOM 0 HD1 PHE A 59 -2.679 0.445 -6.776 1.00 23.02 H new ATOM 0 HD2 PHE A 59 -5.806 2.424 -8.892 1.00 31.34 H new ATOM 0 HE1 PHE A 59 -1.007 1.660 -8.104 1.00 20.40 H new ATOM 0 HE2 PHE A 59 -4.137 3.642 -10.219 1.00 44.42 H new ATOM 0 HZ PHE A 59 -1.733 3.263 -9.827 1.00 5.13 H new ATOM 985 N THR A 60 -7.543 2.674 -5.571 1.00 64.45 N ATOM 986 CA THR A 60 -8.238 3.893 -5.545 1.00 41.00 C ATOM 987 C THR A 60 -7.803 4.766 -4.355 1.00 63.30 C ATOM 988 O THR A 60 -7.373 5.899 -4.543 1.00 4.14 O ATOM 989 CB THR A 60 -9.725 3.578 -5.428 1.00 12.42 C ATOM 990 OG1 THR A 60 -10.170 2.846 -6.575 1.00 71.20 O ATOM 991 CG2 THR A 60 -10.513 4.819 -5.271 1.00 43.54 C ATOM 0 H THR A 60 -8.155 1.858 -5.590 1.00 64.45 H new ATOM 0 HA THR A 60 -8.021 4.450 -6.457 1.00 41.00 H new ATOM 0 HB THR A 60 -9.876 2.963 -4.541 1.00 12.42 H new ATOM 0 HG1 THR A 60 -9.751 1.960 -6.581 1.00 71.20 H new ATOM 0 HG21 THR A 60 -11.571 4.570 -5.189 1.00 43.54 H new ATOM 0 HG22 THR A 60 -10.193 5.342 -4.370 1.00 43.54 H new ATOM 0 HG23 THR A 60 -10.357 5.461 -6.138 1.00 43.54 H new ATOM 999 N GLU A 61 -7.845 4.212 -3.150 1.00 12.51 N ATOM 1000 CA GLU A 61 -7.564 4.990 -1.970 1.00 50.04 C ATOM 1001 C GLU A 61 -6.080 5.248 -1.846 1.00 23.21 C ATOM 1002 O GLU A 61 -5.668 6.294 -1.361 1.00 64.04 O ATOM 1003 CB GLU A 61 -8.101 4.299 -0.729 1.00 73.12 C ATOM 1004 CG GLU A 61 -9.590 4.110 -0.766 1.00 61.10 C ATOM 1005 CD GLU A 61 -10.159 3.450 0.464 1.00 51.01 C ATOM 1006 OE1 GLU A 61 -9.405 2.941 1.301 1.00 22.01 O ATOM 1007 OE2 GLU A 61 -11.404 3.421 0.595 1.00 74.02 O ATOM 0 H GLU A 61 -8.070 3.233 -2.974 1.00 12.51 H new ATOM 0 HA GLU A 61 -8.069 5.951 -2.064 1.00 50.04 H new ATOM 0 HB2 GLU A 61 -7.619 3.327 -0.622 1.00 73.12 H new ATOM 0 HB3 GLU A 61 -7.836 4.885 0.151 1.00 73.12 H new ATOM 0 HG2 GLU A 61 -10.065 5.082 -0.896 1.00 61.10 H new ATOM 0 HG3 GLU A 61 -9.847 3.510 -1.639 1.00 61.10 H new ATOM 1014 N VAL A 62 -5.290 4.302 -2.316 1.00 24.40 N ATOM 1015 CA VAL A 62 -3.846 4.423 -2.293 1.00 2.13 C ATOM 1016 C VAL A 62 -3.386 5.507 -3.290 1.00 11.23 C ATOM 1017 O VAL A 62 -2.586 6.382 -2.948 1.00 60.23 O ATOM 1018 CB VAL A 62 -3.166 3.066 -2.615 1.00 43.00 C ATOM 1019 CG1 VAL A 62 -1.676 3.169 -2.476 1.00 75.53 C ATOM 1020 CG2 VAL A 62 -3.683 1.977 -1.694 1.00 61.30 C ATOM 0 H VAL A 62 -5.630 3.431 -2.723 1.00 24.40 H new ATOM 0 HA VAL A 62 -3.545 4.718 -1.288 1.00 2.13 H new ATOM 0 HB VAL A 62 -3.410 2.810 -3.646 1.00 43.00 H new ATOM 0 HG11 VAL A 62 -1.222 2.205 -2.707 1.00 75.53 H new ATOM 0 HG12 VAL A 62 -1.297 3.923 -3.166 1.00 75.53 H new ATOM 0 HG13 VAL A 62 -1.425 3.453 -1.454 1.00 75.53 H new ATOM 0 HG21 VAL A 62 -3.194 1.033 -1.936 1.00 61.30 H new ATOM 0 HG22 VAL A 62 -3.467 2.243 -0.659 1.00 61.30 H new ATOM 0 HG23 VAL A 62 -4.760 1.871 -1.824 1.00 61.30 H new ATOM 1030 N ALA A 63 -3.945 5.474 -4.496 1.00 2.25 N ATOM 1031 CA ALA A 63 -3.637 6.460 -5.533 1.00 2.23 C ATOM 1032 C ALA A 63 -4.109 7.828 -5.107 1.00 71.11 C ATOM 1033 O ALA A 63 -3.488 8.835 -5.415 1.00 72.45 O ATOM 1034 CB ALA A 63 -4.260 6.070 -6.869 1.00 30.22 C ATOM 0 H ALA A 63 -4.622 4.767 -4.784 1.00 2.25 H new ATOM 0 HA ALA A 63 -2.555 6.486 -5.666 1.00 2.23 H new ATOM 0 HB1 ALA A 63 -4.013 6.822 -7.619 1.00 30.22 H new ATOM 0 HB2 ALA A 63 -3.870 5.102 -7.184 1.00 30.22 H new ATOM 0 HB3 ALA A 63 -5.343 6.007 -6.761 1.00 30.22 H new ATOM 1040 N ASN A 64 -5.210 7.838 -4.400 1.00 70.53 N ATOM 1041 CA ASN A 64 -5.787 9.039 -3.818 1.00 14.05 C ATOM 1042 C ASN A 64 -4.957 9.566 -2.652 1.00 4.32 C ATOM 1043 O ASN A 64 -4.910 10.772 -2.405 1.00 31.20 O ATOM 1044 CB ASN A 64 -7.214 8.732 -3.397 1.00 4.23 C ATOM 1045 CG ASN A 64 -7.762 9.570 -2.263 1.00 72.52 C ATOM 1046 OD1 ASN A 64 -8.285 10.655 -2.466 1.00 51.34 O ATOM 1047 ND2 ASN A 64 -7.686 9.038 -1.062 1.00 25.40 N ATOM 0 H ASN A 64 -5.749 6.994 -4.204 1.00 70.53 H new ATOM 0 HA ASN A 64 -5.789 9.833 -4.564 1.00 14.05 H new ATOM 0 HB2 ASN A 64 -7.863 8.858 -4.263 1.00 4.23 H new ATOM 0 HB3 ASN A 64 -7.269 7.683 -3.108 1.00 4.23 H new ATOM 0 HD21 ASN A 64 -8.072 9.534 -0.259 1.00 25.40 H new ATOM 0 HD22 ASN A 64 -7.241 8.129 -0.934 1.00 25.40 H new ATOM 1054 N LEU A 65 -4.296 8.682 -1.957 1.00 43.24 N ATOM 1055 CA LEU A 65 -3.499 9.072 -0.834 1.00 10.44 C ATOM 1056 C LEU A 65 -2.265 9.814 -1.341 1.00 12.05 C ATOM 1057 O LEU A 65 -1.947 10.926 -0.896 1.00 54.34 O ATOM 1058 CB LEU A 65 -3.037 7.845 -0.064 1.00 63.14 C ATOM 1059 CG LEU A 65 -2.885 8.003 1.456 1.00 63.20 C ATOM 1060 CD1 LEU A 65 -3.035 9.424 1.915 1.00 64.35 C ATOM 1061 CD2 LEU A 65 -3.906 7.201 2.135 1.00 51.23 C ATOM 0 H LEU A 65 -4.296 7.681 -2.153 1.00 43.24 H new ATOM 0 HA LEU A 65 -4.095 9.708 -0.179 1.00 10.44 H new ATOM 0 HB2 LEU A 65 -3.745 7.038 -0.253 1.00 63.14 H new ATOM 0 HB3 LEU A 65 -2.077 7.529 -0.471 1.00 63.14 H new ATOM 0 HG LEU A 65 -1.877 7.669 1.704 1.00 63.20 H new ATOM 0 HD11 LEU A 65 -2.917 9.471 2.998 1.00 64.35 H new ATOM 0 HD12 LEU A 65 -2.273 10.042 1.440 1.00 64.35 H new ATOM 0 HD13 LEU A 65 -4.024 9.792 1.641 1.00 64.35 H new ATOM 0 HD21 LEU A 65 -3.798 7.313 3.214 1.00 51.23 H new ATOM 0 HD22 LEU A 65 -4.896 7.541 1.832 1.00 51.23 H new ATOM 0 HD23 LEU A 65 -3.784 6.152 1.865 1.00 51.23 H new ATOM 1073 N PHE A 66 -1.614 9.208 -2.311 1.00 55.23 N ATOM 1074 CA PHE A 66 -0.379 9.720 -2.869 1.00 71.04 C ATOM 1075 C PHE A 66 -0.651 10.431 -4.190 1.00 34.14 C ATOM 1076 O PHE A 66 0.141 10.319 -5.130 1.00 11.31 O ATOM 1077 CB PHE A 66 0.590 8.556 -3.130 1.00 40.15 C ATOM 1078 CG PHE A 66 0.800 7.629 -1.959 1.00 43.32 C ATOM 1079 CD1 PHE A 66 1.113 8.125 -0.705 1.00 75.22 C ATOM 1080 CD2 PHE A 66 0.672 6.262 -2.118 1.00 70.13 C ATOM 1081 CE1 PHE A 66 1.298 7.278 0.363 1.00 65.45 C ATOM 1082 CE2 PHE A 66 0.859 5.408 -1.052 1.00 31.43 C ATOM 1083 CZ PHE A 66 1.172 5.918 0.188 1.00 40.15 C ATOM 0 H PHE A 66 -1.930 8.338 -2.739 1.00 55.23 H new ATOM 0 HA PHE A 66 0.058 10.423 -2.159 1.00 71.04 H new ATOM 0 HB2 PHE A 66 0.217 7.974 -3.973 1.00 40.15 H new ATOM 0 HB3 PHE A 66 1.555 8.966 -3.428 1.00 40.15 H new ATOM 0 HD1 PHE A 66 1.213 9.191 -0.563 1.00 75.22 H new ATOM 0 HD2 PHE A 66 0.423 5.858 -3.088 1.00 70.13 H new ATOM 0 HE1 PHE A 66 1.541 7.679 1.336 1.00 65.45 H new ATOM 0 HE2 PHE A 66 0.760 4.341 -1.189 1.00 31.43 H new ATOM 0 HZ PHE A 66 1.319 5.251 1.024 1.00 40.15 H new ATOM 1093 N ARG A 67 -1.750 11.180 -4.255 1.00 14.10 N ATOM 1094 CA ARG A 67 -2.120 11.891 -5.481 1.00 12.50 C ATOM 1095 C ARG A 67 -1.014 12.824 -5.955 1.00 43.25 C ATOM 1096 O ARG A 67 -0.644 13.791 -5.267 1.00 54.34 O ATOM 1097 CB ARG A 67 -3.445 12.659 -5.363 1.00 25.23 C ATOM 1098 CG ARG A 67 -4.655 11.797 -5.325 1.00 31.15 C ATOM 1099 CD ARG A 67 -5.928 12.611 -5.420 1.00 30.11 C ATOM 1100 NE ARG A 67 -7.097 11.747 -5.626 1.00 65.35 N ATOM 1101 CZ ARG A 67 -8.371 12.120 -5.513 1.00 51.12 C ATOM 1102 NH1 ARG A 67 -8.675 13.338 -5.081 1.00 35.44 N ATOM 1103 NH2 ARG A 67 -9.341 11.263 -5.836 1.00 4.24 N ATOM 0 H ARG A 67 -2.398 11.311 -3.478 1.00 14.10 H new ATOM 0 HA ARG A 67 -2.265 11.112 -6.229 1.00 12.50 H new ATOM 0 HB2 ARG A 67 -3.419 13.267 -4.459 1.00 25.23 H new ATOM 0 HB3 ARG A 67 -3.529 13.345 -6.206 1.00 25.23 H new ATOM 0 HG2 ARG A 67 -4.618 11.082 -6.147 1.00 31.15 H new ATOM 0 HG3 ARG A 67 -4.661 11.219 -4.401 1.00 31.15 H new ATOM 0 HD2 ARG A 67 -6.059 13.193 -4.508 1.00 30.11 H new ATOM 0 HD3 ARG A 67 -5.848 13.321 -6.243 1.00 30.11 H new ATOM 0 HE ARG A 67 -6.918 10.775 -5.878 1.00 65.35 H new ATOM 0 HH11 ARG A 67 -7.932 13.992 -4.834 1.00 35.44 H new ATOM 0 HH12 ARG A 67 -9.652 13.620 -4.996 1.00 35.44 H new ATOM 0 HH21 ARG A 67 -9.106 10.328 -6.167 1.00 4.24 H new ATOM 0 HH22 ARG A 67 -10.318 11.543 -5.751 1.00 4.24 H new ATOM 1117 N GLY A 68 -0.472 12.509 -7.101 1.00 32.02 N ATOM 1118 CA GLY A 68 0.587 13.288 -7.670 1.00 61.53 C ATOM 1119 C GLY A 68 1.886 12.536 -7.668 1.00 0.13 C ATOM 1120 O GLY A 68 2.699 12.686 -8.570 1.00 62.00 O ATOM 0 H GLY A 68 -0.754 11.706 -7.663 1.00 32.02 H new ATOM 0 HA2 GLY A 68 0.328 13.565 -8.692 1.00 61.53 H new ATOM 0 HA3 GLY A 68 0.701 14.215 -7.108 1.00 61.53 H new ATOM 1124 N GLN A 69 2.083 11.709 -6.666 1.00 64.15 N ATOM 1125 CA GLN A 69 3.279 10.934 -6.557 1.00 34.31 C ATOM 1126 C GLN A 69 3.153 9.659 -7.369 1.00 2.04 C ATOM 1127 O GLN A 69 2.930 8.575 -6.825 1.00 53.44 O ATOM 1128 CB GLN A 69 3.559 10.616 -5.102 1.00 42.03 C ATOM 1129 CG GLN A 69 3.710 11.844 -4.227 1.00 3.32 C ATOM 1130 CD GLN A 69 4.909 12.666 -4.573 1.00 55.03 C ATOM 1131 OE1 GLN A 69 6.012 12.435 -4.074 1.00 41.42 O ATOM 1132 NE2 GLN A 69 4.710 13.644 -5.371 1.00 72.25 N ATOM 0 H GLN A 69 1.415 11.561 -5.910 1.00 64.15 H new ATOM 0 HA GLN A 69 4.114 11.511 -6.953 1.00 34.31 H new ATOM 0 HB2 GLN A 69 2.749 10.000 -4.712 1.00 42.03 H new ATOM 0 HB3 GLN A 69 4.470 10.021 -5.038 1.00 42.03 H new ATOM 0 HG2 GLN A 69 2.816 12.460 -4.319 1.00 3.32 H new ATOM 0 HG3 GLN A 69 3.778 11.534 -3.184 1.00 3.32 H new ATOM 0 HE21 GLN A 69 3.782 13.802 -5.763 1.00 72.25 H new ATOM 0 HE22 GLN A 69 5.480 14.267 -5.616 1.00 72.25 H new ATOM 1141 N GLU A 70 3.281 9.802 -8.673 1.00 41.25 N ATOM 1142 CA GLU A 70 3.160 8.697 -9.614 1.00 23.25 C ATOM 1143 C GLU A 70 4.268 7.687 -9.392 1.00 51.14 C ATOM 1144 O GLU A 70 4.100 6.504 -9.659 1.00 40.15 O ATOM 1145 CB GLU A 70 3.168 9.213 -11.050 1.00 12.00 C ATOM 1146 CG GLU A 70 2.009 10.143 -11.363 1.00 3.10 C ATOM 1147 CD GLU A 70 2.031 10.647 -12.781 1.00 71.41 C ATOM 1148 OE1 GLU A 70 1.546 9.938 -13.687 1.00 43.41 O ATOM 1149 OE2 GLU A 70 2.508 11.773 -13.018 1.00 73.32 O ATOM 0 H GLU A 70 3.475 10.699 -9.119 1.00 41.25 H new ATOM 0 HA GLU A 70 2.207 8.196 -9.441 1.00 23.25 H new ATOM 0 HB2 GLU A 70 4.105 9.738 -11.234 1.00 12.00 H new ATOM 0 HB3 GLU A 70 3.138 8.364 -11.733 1.00 12.00 H new ATOM 0 HG2 GLU A 70 1.070 9.619 -11.183 1.00 3.10 H new ATOM 0 HG3 GLU A 70 2.036 10.992 -10.680 1.00 3.10 H new ATOM 1156 N ASP A 71 5.373 8.171 -8.859 1.00 44.12 N ATOM 1157 CA ASP A 71 6.523 7.345 -8.507 1.00 22.32 C ATOM 1158 C ASP A 71 6.117 6.260 -7.513 1.00 31.03 C ATOM 1159 O ASP A 71 6.410 5.076 -7.702 1.00 72.32 O ATOM 1160 CB ASP A 71 7.629 8.231 -7.921 1.00 62.32 C ATOM 1161 CG ASP A 71 8.876 7.471 -7.528 1.00 32.40 C ATOM 1162 OD1 ASP A 71 9.690 7.149 -8.421 1.00 20.12 O ATOM 1163 OD2 ASP A 71 9.088 7.223 -6.324 1.00 3.24 O ATOM 0 H ASP A 71 5.504 9.161 -8.654 1.00 44.12 H new ATOM 0 HA ASP A 71 6.900 6.854 -9.404 1.00 22.32 H new ATOM 0 HB2 ASP A 71 7.895 8.995 -8.652 1.00 62.32 H new ATOM 0 HB3 ASP A 71 7.240 8.750 -7.045 1.00 62.32 H new ATOM 1168 N LEU A 72 5.371 6.666 -6.505 1.00 14.11 N ATOM 1169 CA LEU A 72 4.892 5.753 -5.489 1.00 43.14 C ATOM 1170 C LEU A 72 3.826 4.843 -6.058 1.00 31.12 C ATOM 1171 O LEU A 72 3.806 3.659 -5.785 1.00 74.30 O ATOM 1172 CB LEU A 72 4.327 6.524 -4.294 1.00 20.12 C ATOM 1173 CG LEU A 72 5.328 7.349 -3.492 1.00 12.10 C ATOM 1174 CD1 LEU A 72 4.620 8.140 -2.417 1.00 53.42 C ATOM 1175 CD2 LEU A 72 6.361 6.447 -2.861 1.00 72.24 C ATOM 0 H LEU A 72 5.081 7.634 -6.368 1.00 14.11 H new ATOM 0 HA LEU A 72 5.734 5.149 -5.152 1.00 43.14 H new ATOM 0 HB2 LEU A 72 3.545 7.191 -4.655 1.00 20.12 H new ATOM 0 HB3 LEU A 72 3.852 5.811 -3.620 1.00 20.12 H new ATOM 0 HG LEU A 72 5.824 8.042 -4.172 1.00 12.10 H new ATOM 0 HD11 LEU A 72 5.349 8.723 -1.854 1.00 53.42 H new ATOM 0 HD12 LEU A 72 3.896 8.812 -2.877 1.00 53.42 H new ATOM 0 HD13 LEU A 72 4.104 7.457 -1.743 1.00 53.42 H new ATOM 0 HD21 LEU A 72 7.070 7.048 -2.291 1.00 72.24 H new ATOM 0 HD22 LEU A 72 5.868 5.739 -2.195 1.00 72.24 H new ATOM 0 HD23 LEU A 72 6.893 5.901 -3.641 1.00 72.24 H new ATOM 1187 N LEU A 73 2.998 5.395 -6.908 1.00 73.03 N ATOM 1188 CA LEU A 73 1.860 4.666 -7.458 1.00 34.54 C ATOM 1189 C LEU A 73 2.345 3.577 -8.411 1.00 63.32 C ATOM 1190 O LEU A 73 1.822 2.458 -8.419 1.00 11.20 O ATOM 1191 CB LEU A 73 0.908 5.645 -8.162 1.00 43.23 C ATOM 1192 CG LEU A 73 0.440 6.837 -7.303 1.00 52.11 C ATOM 1193 CD1 LEU A 73 -0.496 7.753 -8.050 1.00 25.03 C ATOM 1194 CD2 LEU A 73 -0.199 6.375 -6.014 1.00 34.42 C ATOM 0 H LEU A 73 3.084 6.355 -7.243 1.00 73.03 H new ATOM 0 HA LEU A 73 1.312 4.181 -6.650 1.00 34.54 H new ATOM 0 HB2 LEU A 73 1.403 6.032 -9.053 1.00 43.23 H new ATOM 0 HB3 LEU A 73 0.030 5.094 -8.500 1.00 43.23 H new ATOM 0 HG LEU A 73 1.337 7.408 -7.061 1.00 52.11 H new ATOM 0 HD11 LEU A 73 -0.796 8.575 -7.400 1.00 25.03 H new ATOM 0 HD12 LEU A 73 0.010 8.151 -8.930 1.00 25.03 H new ATOM 0 HD13 LEU A 73 -1.380 7.196 -8.361 1.00 25.03 H new ATOM 0 HD21 LEU A 73 -0.517 7.242 -5.434 1.00 34.42 H new ATOM 0 HD22 LEU A 73 -1.065 5.752 -6.240 1.00 34.42 H new ATOM 0 HD23 LEU A 73 0.523 5.797 -5.437 1.00 34.42 H new ATOM 1206 N SER A 74 3.372 3.899 -9.173 1.00 73.23 N ATOM 1207 CA SER A 74 3.965 2.972 -10.091 1.00 31.41 C ATOM 1208 C SER A 74 4.620 1.825 -9.310 1.00 13.44 C ATOM 1209 O SER A 74 4.399 0.646 -9.620 1.00 21.44 O ATOM 1210 CB SER A 74 4.990 3.701 -10.984 1.00 72.55 C ATOM 1211 OG SER A 74 5.518 2.856 -12.006 1.00 24.42 O ATOM 0 H SER A 74 3.814 4.818 -9.166 1.00 73.23 H new ATOM 0 HA SER A 74 3.196 2.550 -10.738 1.00 31.41 H new ATOM 0 HB2 SER A 74 4.516 4.569 -11.443 1.00 72.55 H new ATOM 0 HB3 SER A 74 5.807 4.073 -10.366 1.00 72.55 H new ATOM 0 HG SER A 74 6.161 3.360 -12.547 1.00 24.42 H new ATOM 1217 N GLU A 75 5.380 2.163 -8.268 1.00 20.11 N ATOM 1218 CA GLU A 75 6.034 1.143 -7.478 1.00 54.33 C ATOM 1219 C GLU A 75 5.067 0.329 -6.649 1.00 45.05 C ATOM 1220 O GLU A 75 5.286 -0.851 -6.457 1.00 44.35 O ATOM 1221 CB GLU A 75 7.184 1.679 -6.643 1.00 1.21 C ATOM 1222 CG GLU A 75 8.377 2.080 -7.478 1.00 31.05 C ATOM 1223 CD GLU A 75 9.588 2.396 -6.650 1.00 20.13 C ATOM 1224 OE1 GLU A 75 10.089 1.497 -5.959 1.00 40.43 O ATOM 1225 OE2 GLU A 75 10.110 3.521 -6.736 1.00 43.43 O ATOM 0 H GLU A 75 5.551 3.121 -7.962 1.00 20.11 H new ATOM 0 HA GLU A 75 6.474 0.460 -8.204 1.00 54.33 H new ATOM 0 HB2 GLU A 75 6.841 2.541 -6.071 1.00 1.21 H new ATOM 0 HB3 GLU A 75 7.489 0.920 -5.923 1.00 1.21 H new ATOM 0 HG2 GLU A 75 8.617 1.274 -8.171 1.00 31.05 H new ATOM 0 HG3 GLU A 75 8.117 2.951 -8.080 1.00 31.05 H new ATOM 1232 N PHE A 76 3.989 0.938 -6.189 1.00 54.01 N ATOM 1233 CA PHE A 76 2.968 0.211 -5.441 1.00 42.40 C ATOM 1234 C PHE A 76 2.407 -0.922 -6.301 1.00 42.11 C ATOM 1235 O PHE A 76 2.219 -2.037 -5.823 1.00 24.53 O ATOM 1236 CB PHE A 76 1.849 1.160 -4.976 1.00 63.41 C ATOM 1237 CG PHE A 76 0.783 0.490 -4.157 1.00 41.52 C ATOM 1238 CD1 PHE A 76 1.054 0.060 -2.868 1.00 13.23 C ATOM 1239 CD2 PHE A 76 -0.476 0.269 -4.683 1.00 54.01 C ATOM 1240 CE1 PHE A 76 0.089 -0.576 -2.114 1.00 43.40 C ATOM 1241 CE2 PHE A 76 -1.453 -0.374 -3.937 1.00 72.03 C ATOM 1242 CZ PHE A 76 -1.167 -0.796 -2.645 1.00 24.32 C ATOM 0 H PHE A 76 3.794 1.931 -6.317 1.00 54.01 H new ATOM 0 HA PHE A 76 3.423 -0.220 -4.549 1.00 42.40 H new ATOM 0 HB2 PHE A 76 2.290 1.966 -4.390 1.00 63.41 H new ATOM 0 HB3 PHE A 76 1.387 1.617 -5.851 1.00 63.41 H new ATOM 0 HD1 PHE A 76 2.035 0.225 -2.447 1.00 13.23 H new ATOM 0 HD2 PHE A 76 -0.702 0.601 -5.686 1.00 54.01 H new ATOM 0 HE1 PHE A 76 0.316 -0.901 -1.109 1.00 43.40 H new ATOM 0 HE2 PHE A 76 -2.432 -0.546 -4.359 1.00 72.03 H new ATOM 0 HZ PHE A 76 -1.924 -1.294 -2.058 1.00 24.32 H new ATOM 1252 N GLY A 77 2.194 -0.635 -7.581 1.00 11.22 N ATOM 1253 CA GLY A 77 1.732 -1.649 -8.508 1.00 45.15 C ATOM 1254 C GLY A 77 2.771 -2.746 -8.694 1.00 64.13 C ATOM 1255 O GLY A 77 2.435 -3.925 -8.723 1.00 13.13 O ATOM 0 H GLY A 77 2.334 0.287 -7.994 1.00 11.22 H new ATOM 0 HA2 GLY A 77 0.803 -2.084 -8.140 1.00 45.15 H new ATOM 0 HA3 GLY A 77 1.509 -1.190 -9.471 1.00 45.15 H new ATOM 1259 N GLN A 78 4.032 -2.334 -8.763 1.00 42.45 N ATOM 1260 CA GLN A 78 5.182 -3.224 -8.938 1.00 43.31 C ATOM 1261 C GLN A 78 5.336 -4.142 -7.699 1.00 72.13 C ATOM 1262 O GLN A 78 5.720 -5.320 -7.809 1.00 53.13 O ATOM 1263 CB GLN A 78 6.434 -2.330 -9.162 1.00 22.20 C ATOM 1264 CG GLN A 78 7.702 -3.012 -9.683 1.00 73.51 C ATOM 1265 CD GLN A 78 8.446 -3.876 -8.682 1.00 52.22 C ATOM 1266 OE1 GLN A 78 8.421 -3.634 -7.469 1.00 4.34 O ATOM 1267 NE2 GLN A 78 9.148 -4.854 -9.179 1.00 75.11 N ATOM 0 H GLN A 78 4.293 -1.350 -8.698 1.00 42.45 H new ATOM 0 HA GLN A 78 5.049 -3.880 -9.799 1.00 43.31 H new ATOM 0 HB2 GLN A 78 6.163 -1.541 -9.864 1.00 22.20 H new ATOM 0 HB3 GLN A 78 6.676 -1.846 -8.216 1.00 22.20 H new ATOM 0 HG2 GLN A 78 7.433 -3.630 -10.539 1.00 73.51 H new ATOM 0 HG3 GLN A 78 8.383 -2.242 -10.047 1.00 73.51 H new ATOM 0 HE21 GLN A 78 9.145 -5.024 -10.185 1.00 75.11 H new ATOM 0 HE22 GLN A 78 9.701 -5.450 -8.563 1.00 75.11 H new ATOM 1276 N PHE A 79 5.057 -3.586 -6.532 1.00 10.00 N ATOM 1277 CA PHE A 79 5.089 -4.322 -5.273 1.00 74.00 C ATOM 1278 C PHE A 79 3.916 -5.262 -5.121 1.00 42.22 C ATOM 1279 O PHE A 79 3.954 -6.216 -4.327 1.00 72.43 O ATOM 1280 CB PHE A 79 5.226 -3.382 -4.077 1.00 53.22 C ATOM 1281 CG PHE A 79 6.631 -2.917 -3.893 1.00 10.12 C ATOM 1282 CD1 PHE A 79 7.599 -3.808 -3.483 1.00 3.34 C ATOM 1283 CD2 PHE A 79 6.999 -1.612 -4.154 1.00 32.23 C ATOM 1284 CE1 PHE A 79 8.898 -3.413 -3.334 1.00 13.42 C ATOM 1285 CE2 PHE A 79 8.303 -1.210 -4.007 1.00 22.11 C ATOM 1286 CZ PHE A 79 9.251 -2.114 -3.596 1.00 15.12 C ATOM 0 H PHE A 79 4.800 -2.604 -6.428 1.00 10.00 H new ATOM 0 HA PHE A 79 5.981 -4.948 -5.299 1.00 74.00 H new ATOM 0 HB2 PHE A 79 4.574 -2.520 -4.216 1.00 53.22 H new ATOM 0 HB3 PHE A 79 4.891 -3.892 -3.174 1.00 53.22 H new ATOM 0 HD1 PHE A 79 7.327 -4.833 -3.277 1.00 3.34 H new ATOM 0 HD2 PHE A 79 6.253 -0.901 -4.477 1.00 32.23 H new ATOM 0 HE1 PHE A 79 9.646 -4.122 -3.011 1.00 13.42 H new ATOM 0 HE2 PHE A 79 8.582 -0.187 -4.214 1.00 22.11 H new ATOM 0 HZ PHE A 79 10.278 -1.801 -3.479 1.00 15.12 H new ATOM 1296 N LEU A 80 2.893 -5.004 -5.870 1.00 42.03 N ATOM 1297 CA LEU A 80 1.736 -5.846 -5.913 1.00 43.15 C ATOM 1298 C LEU A 80 1.953 -6.982 -6.933 1.00 33.14 C ATOM 1299 O LEU A 80 3.017 -7.033 -7.557 1.00 61.04 O ATOM 1300 CB LEU A 80 0.481 -5.011 -6.203 1.00 2.43 C ATOM 1301 CG LEU A 80 -0.401 -4.731 -4.982 1.00 55.41 C ATOM 1302 CD1 LEU A 80 0.280 -3.831 -3.971 1.00 20.20 C ATOM 1303 CD2 LEU A 80 -1.741 -4.193 -5.406 1.00 41.30 C ATOM 0 H LEU A 80 2.835 -4.189 -6.480 1.00 42.03 H new ATOM 0 HA LEU A 80 1.580 -6.314 -4.941 1.00 43.15 H new ATOM 0 HB2 LEU A 80 0.787 -4.060 -6.638 1.00 2.43 H new ATOM 0 HB3 LEU A 80 -0.116 -5.528 -6.954 1.00 2.43 H new ATOM 0 HG LEU A 80 -0.567 -5.681 -4.474 1.00 55.41 H new ATOM 0 HD11 LEU A 80 -0.387 -3.664 -3.125 1.00 20.20 H new ATOM 0 HD12 LEU A 80 1.197 -4.305 -3.621 1.00 20.20 H new ATOM 0 HD13 LEU A 80 0.520 -2.876 -4.438 1.00 20.20 H new ATOM 0 HD21 LEU A 80 -2.352 -4.001 -4.524 1.00 41.30 H new ATOM 0 HD22 LEU A 80 -1.602 -3.265 -5.960 1.00 41.30 H new ATOM 0 HD23 LEU A 80 -2.242 -4.923 -6.042 1.00 41.30 H new ATOM 1315 N PRO A 81 1.007 -7.961 -7.052 1.00 52.42 N ATOM 1316 CA PRO A 81 1.129 -9.083 -7.996 1.00 14.13 C ATOM 1317 C PRO A 81 1.431 -8.682 -9.464 1.00 15.11 C ATOM 1318 O PRO A 81 0.532 -8.338 -10.235 1.00 75.43 O ATOM 1319 CB PRO A 81 -0.231 -9.803 -7.905 1.00 30.22 C ATOM 1320 CG PRO A 81 -1.123 -8.887 -7.128 1.00 51.22 C ATOM 1321 CD PRO A 81 -0.231 -8.092 -6.246 1.00 13.51 C ATOM 0 HA PRO A 81 1.986 -9.699 -7.723 1.00 14.13 H new ATOM 0 HB2 PRO A 81 -0.638 -9.997 -8.897 1.00 30.22 H new ATOM 0 HB3 PRO A 81 -0.131 -10.767 -7.407 1.00 30.22 H new ATOM 0 HG2 PRO A 81 -1.691 -8.238 -7.795 1.00 51.22 H new ATOM 0 HG3 PRO A 81 -1.847 -9.453 -6.542 1.00 51.22 H new ATOM 0 HD2 PRO A 81 -0.662 -7.120 -6.008 1.00 13.51 H new ATOM 0 HD3 PRO A 81 -0.044 -8.599 -5.299 1.00 13.51 H new ATOM 1329 N GLU A 82 2.704 -8.735 -9.824 1.00 5.22 N ATOM 1330 CA GLU A 82 3.158 -8.467 -11.185 1.00 3.24 C ATOM 1331 C GLU A 82 3.229 -9.748 -11.980 1.00 0.21 C ATOM 1332 O GLU A 82 3.570 -9.737 -13.156 1.00 63.13 O ATOM 1333 CB GLU A 82 4.525 -7.781 -11.196 1.00 24.42 C ATOM 1334 CG GLU A 82 4.493 -6.305 -10.865 1.00 4.34 C ATOM 1335 CD GLU A 82 3.847 -5.501 -11.966 1.00 60.52 C ATOM 1336 OE1 GLU A 82 4.531 -5.201 -12.971 1.00 1.21 O ATOM 1337 OE2 GLU A 82 2.665 -5.154 -11.860 1.00 51.14 O ATOM 0 H GLU A 82 3.458 -8.967 -9.178 1.00 5.22 H new ATOM 0 HA GLU A 82 2.433 -7.795 -11.644 1.00 3.24 H new ATOM 0 HB2 GLU A 82 5.176 -8.286 -10.482 1.00 24.42 H new ATOM 0 HB3 GLU A 82 4.973 -7.909 -12.181 1.00 24.42 H new ATOM 0 HG2 GLU A 82 3.947 -6.152 -9.934 1.00 4.34 H new ATOM 0 HG3 GLU A 82 5.509 -5.947 -10.701 1.00 4.34 H new ATOM 1344 N ALA A 83 2.901 -10.857 -11.342 1.00 71.54 N ATOM 1345 CA ALA A 83 2.891 -12.151 -12.011 1.00 43.03 C ATOM 1346 C ALA A 83 1.739 -12.213 -13.012 1.00 13.43 C ATOM 1347 O ALA A 83 1.799 -12.924 -14.006 1.00 31.12 O ATOM 1348 CB ALA A 83 2.803 -13.279 -10.995 1.00 15.32 C ATOM 0 H ALA A 83 2.637 -10.890 -10.357 1.00 71.54 H new ATOM 0 HA ALA A 83 3.825 -12.274 -12.559 1.00 43.03 H new ATOM 0 HB1 ALA A 83 2.797 -14.237 -11.515 1.00 15.32 H new ATOM 0 HB2 ALA A 83 3.663 -13.234 -10.326 1.00 15.32 H new ATOM 0 HB3 ALA A 83 1.886 -13.175 -10.415 1.00 15.32 H new ATOM 1354 N LYS A 84 0.695 -11.447 -12.735 1.00 53.20 N ATOM 1355 CA LYS A 84 -0.443 -11.331 -13.625 1.00 61.13 C ATOM 1356 C LYS A 84 -0.194 -10.321 -14.743 1.00 30.31 C ATOM 1357 O LYS A 84 -0.953 -10.234 -15.711 1.00 62.44 O ATOM 1358 CB LYS A 84 -1.697 -10.984 -12.873 1.00 12.04 C ATOM 1359 CG LYS A 84 -1.644 -9.719 -12.086 1.00 14.44 C ATOM 1360 CD LYS A 84 -2.996 -9.466 -11.533 1.00 22.14 C ATOM 1361 CE LYS A 84 -3.027 -8.251 -10.637 1.00 44.43 C ATOM 1362 NZ LYS A 84 -4.402 -7.910 -10.231 1.00 24.33 N ATOM 0 H LYS A 84 0.616 -10.889 -11.885 1.00 53.20 H new ATOM 0 HA LYS A 84 -0.580 -12.309 -14.086 1.00 61.13 H new ATOM 0 HB2 LYS A 84 -2.519 -10.914 -13.585 1.00 12.04 H new ATOM 0 HB3 LYS A 84 -1.932 -11.804 -12.194 1.00 12.04 H new ATOM 0 HG2 LYS A 84 -0.913 -9.801 -11.282 1.00 14.44 H new ATOM 0 HG3 LYS A 84 -1.330 -8.889 -12.719 1.00 14.44 H new ATOM 0 HD2 LYS A 84 -3.702 -9.330 -12.352 1.00 22.14 H new ATOM 0 HD3 LYS A 84 -3.326 -10.339 -10.970 1.00 22.14 H new ATOM 0 HE2 LYS A 84 -2.421 -8.437 -9.750 1.00 44.43 H new ATOM 0 HE3 LYS A 84 -2.580 -7.404 -11.157 1.00 44.43 H new ATOM 0 HZ1 LYS A 84 -4.462 -6.891 -10.031 1.00 24.33 H new ATOM 0 HZ2 LYS A 84 -5.061 -8.151 -10.999 1.00 24.33 H new ATOM 0 HZ3 LYS A 84 -4.655 -8.446 -9.377 1.00 24.33 H new ATOM 1376 N ARG A 85 0.823 -9.513 -14.569 1.00 31.33 N ATOM 1377 CA ARG A 85 1.183 -8.505 -15.547 1.00 64.35 C ATOM 1378 C ARG A 85 2.275 -9.008 -16.469 1.00 32.14 C ATOM 1379 O ARG A 85 2.920 -10.028 -16.168 1.00 41.30 O ATOM 1380 CB ARG A 85 1.623 -7.232 -14.850 1.00 22.40 C ATOM 1381 CG ARG A 85 0.503 -6.498 -14.116 1.00 61.22 C ATOM 1382 CD ARG A 85 -0.546 -5.890 -15.065 1.00 40.32 C ATOM 1383 NE ARG A 85 -1.338 -6.897 -15.806 1.00 51.54 N ATOM 1384 CZ ARG A 85 -1.911 -6.700 -17.006 1.00 1.05 C ATOM 1385 NH1 ARG A 85 -1.797 -5.530 -17.622 1.00 24.21 N ATOM 1386 NH2 ARG A 85 -2.600 -7.681 -17.578 1.00 44.54 N ATOM 0 H ARG A 85 1.427 -9.532 -13.747 1.00 31.33 H new ATOM 0 HA ARG A 85 0.303 -8.288 -16.153 1.00 64.35 H new ATOM 0 HB2 ARG A 85 2.410 -7.476 -14.137 1.00 22.40 H new ATOM 0 HB3 ARG A 85 2.059 -6.559 -15.589 1.00 22.40 H new ATOM 0 HG2 ARG A 85 0.009 -7.190 -13.434 1.00 61.22 H new ATOM 0 HG3 ARG A 85 0.936 -5.705 -13.506 1.00 61.22 H new ATOM 0 HD2 ARG A 85 -1.224 -5.262 -14.487 1.00 40.32 H new ATOM 0 HD3 ARG A 85 -0.042 -5.240 -15.780 1.00 40.32 H new ATOM 0 HE ARG A 85 -1.459 -7.812 -15.372 1.00 51.54 H new ATOM 0 HH11 ARG A 85 -1.272 -4.773 -17.185 1.00 24.21 H new ATOM 0 HH12 ARG A 85 -2.235 -5.388 -18.532 1.00 24.21 H new ATOM 0 HH21 ARG A 85 -2.693 -8.581 -17.107 1.00 44.54 H new ATOM 0 HH22 ARG A 85 -3.036 -7.534 -18.488 1.00 44.54 H new TER 1400 ARG A 85