USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 526 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 GLY N :NH3+ -129:sc= 0.0996 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -8.29! C(o=-8.3!,f=-23!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.371 K(o=-0.37,f=-0.88) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.582 X(o=-0.58,f=-0.8) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00693) USER MOD Single : A 35 SER OG : rot -62:sc= 1.03 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 147:sc= -2.04! USER MOD Single : A 49 CYS SG : rot 60:sc= 0.599 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.141) USER MOD Single : A 53 TYR OH : rot -106:sc= 0.477 USER MOD Single : A 54 MET CE :methyl -145:sc= -0.143 (180deg=-1.14) USER MOD Single : A 56 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= 0.0672 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.43 X(o=-0.43,f=0.013) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.174 -9.092 -20.151 1.00 0.00 N ATOM 2 CA GLY A 1 1.074 -8.375 -19.264 1.00 0.00 C ATOM 3 C GLY A 1 0.525 -8.339 -17.836 1.00 0.00 C ATOM 4 O GLY A 1 -0.369 -9.111 -17.492 1.00 0.00 O ATOM 0 H1 GLY A 1 0.707 -9.812 -20.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.571 -9.554 -19.591 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.260 -8.424 -20.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.053 -8.854 -19.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.215 -7.358 -19.629 1.00 0.00 H new ATOM 8 N SER A 2 1.082 -7.435 -17.044 1.00 0.00 N ATOM 9 CA SER A 2 0.659 -7.289 -15.662 1.00 0.00 C ATOM 10 C SER A 2 -0.366 -6.160 -15.545 1.00 0.00 C ATOM 11 O SER A 2 -0.543 -5.378 -16.478 1.00 0.00 O ATOM 12 CB SER A 2 1.854 -7.018 -14.745 1.00 0.00 C ATOM 13 OG SER A 2 2.341 -5.687 -14.883 1.00 0.00 O ATOM 0 H SER A 2 1.823 -6.796 -17.333 1.00 0.00 H new ATOM 0 HA SER A 2 0.198 -8.224 -15.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.563 -7.192 -13.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.654 -7.722 -14.974 1.00 0.00 H new ATOM 0 HG SER A 2 3.102 -5.553 -14.280 1.00 0.00 H new ATOM 19 N SER A 3 -1.015 -6.109 -14.391 1.00 0.00 N ATOM 20 CA SER A 3 -2.018 -5.088 -14.140 1.00 0.00 C ATOM 21 C SER A 3 -1.980 -4.667 -12.670 1.00 0.00 C ATOM 22 O SER A 3 -2.276 -5.468 -11.784 1.00 0.00 O ATOM 23 CB SER A 3 -3.416 -5.585 -14.514 1.00 0.00 C ATOM 24 OG SER A 3 -4.271 -4.519 -14.918 1.00 0.00 O ATOM 0 H SER A 3 -0.866 -6.759 -13.619 1.00 0.00 H new ATOM 0 HA SER A 3 -1.790 -4.224 -14.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.338 -6.313 -15.321 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.858 -6.101 -13.661 1.00 0.00 H new ATOM 0 HG SER A 3 -5.153 -4.877 -15.150 1.00 0.00 H new ATOM 30 N GLY A 4 -1.614 -3.412 -12.456 1.00 0.00 N ATOM 31 CA GLY A 4 -1.533 -2.876 -11.108 1.00 0.00 C ATOM 32 C GLY A 4 -0.085 -2.561 -10.728 1.00 0.00 C ATOM 33 O GLY A 4 0.661 -3.450 -10.322 1.00 0.00 O ATOM 0 H GLY A 4 -1.370 -2.751 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.136 -1.971 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.950 -3.594 -10.402 1.00 0.00 H new ATOM 37 N SER A 5 0.269 -1.292 -10.875 1.00 0.00 N ATOM 38 CA SER A 5 1.615 -0.849 -10.552 1.00 0.00 C ATOM 39 C SER A 5 1.702 0.675 -10.657 1.00 0.00 C ATOM 40 O SER A 5 2.007 1.211 -11.721 1.00 0.00 O ATOM 41 CB SER A 5 2.646 -1.504 -11.473 1.00 0.00 C ATOM 42 OG SER A 5 3.978 -1.307 -11.008 1.00 0.00 O ATOM 0 H SER A 5 -0.353 -0.557 -11.213 1.00 0.00 H new ATOM 0 HA SER A 5 1.839 -1.150 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.441 -2.572 -11.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.548 -1.092 -12.478 1.00 0.00 H new ATOM 0 HG SER A 5 4.606 -1.741 -11.622 1.00 0.00 H new ATOM 48 N SER A 6 1.431 1.330 -9.538 1.00 0.00 N ATOM 49 CA SER A 6 1.475 2.781 -9.490 1.00 0.00 C ATOM 50 C SER A 6 1.411 3.260 -8.038 1.00 0.00 C ATOM 51 O SER A 6 0.348 3.236 -7.420 1.00 0.00 O ATOM 52 CB SER A 6 0.333 3.395 -10.302 1.00 0.00 C ATOM 53 OG SER A 6 0.734 4.586 -10.972 1.00 0.00 O ATOM 0 H SER A 6 1.180 0.882 -8.657 1.00 0.00 H new ATOM 0 HA SER A 6 2.416 3.108 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.022 2.670 -11.034 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.504 3.616 -9.640 1.00 0.00 H new ATOM 0 HG SER A 6 -0.023 4.946 -11.480 1.00 0.00 H new ATOM 59 N GLY A 7 2.562 3.682 -7.536 1.00 0.00 N ATOM 60 CA GLY A 7 2.649 4.165 -6.168 1.00 0.00 C ATOM 61 C GLY A 7 1.921 3.224 -5.207 1.00 0.00 C ATOM 62 O GLY A 7 0.880 3.577 -4.656 1.00 0.00 O ATOM 0 H GLY A 7 3.442 3.700 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.695 4.252 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.216 5.163 -6.103 1.00 0.00 H new ATOM 66 N ASP A 8 2.498 2.043 -5.035 1.00 0.00 N ATOM 67 CA ASP A 8 1.917 1.049 -4.149 1.00 0.00 C ATOM 68 C ASP A 8 2.749 -0.234 -4.215 1.00 0.00 C ATOM 69 O ASP A 8 3.379 -0.518 -5.232 1.00 0.00 O ATOM 70 CB ASP A 8 0.487 0.706 -4.569 1.00 0.00 C ATOM 71 CG ASP A 8 -0.555 0.800 -3.452 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.721 1.921 -2.923 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.161 -0.251 -3.151 1.00 0.00 O ATOM 0 H ASP A 8 3.361 1.753 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 8 1.908 1.461 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.192 1.374 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.476 -0.307 -4.972 1.00 0.00 H new ATOM 78 N LYS A 9 2.724 -0.974 -3.116 1.00 0.00 N ATOM 79 CA LYS A 9 3.468 -2.220 -3.037 1.00 0.00 C ATOM 80 C LYS A 9 2.491 -3.396 -3.085 1.00 0.00 C ATOM 81 O LYS A 9 1.573 -3.480 -2.271 1.00 0.00 O ATOM 82 CB LYS A 9 4.375 -2.225 -1.804 1.00 0.00 C ATOM 83 CG LYS A 9 5.228 -3.493 -1.756 1.00 0.00 C ATOM 84 CD LYS A 9 6.360 -3.432 -2.784 1.00 0.00 C ATOM 85 CE LYS A 9 6.911 -4.829 -3.077 1.00 0.00 C ATOM 86 NZ LYS A 9 8.123 -4.741 -3.922 1.00 0.00 N ATOM 0 H LYS A 9 2.201 -0.735 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 9 4.133 -2.322 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.022 -1.348 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.768 -2.157 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.646 -3.617 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.602 -4.364 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.994 -2.981 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.160 -2.792 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.148 -5.336 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.152 -5.428 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.484 -5.698 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.886 -4.276 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.852 -4.188 -3.428 1.00 0.00 H new ATOM 100 N GLU A 10 2.722 -4.277 -4.048 1.00 0.00 N ATOM 101 CA GLU A 10 1.874 -5.445 -4.214 1.00 0.00 C ATOM 102 C GLU A 10 2.666 -6.590 -4.848 1.00 0.00 C ATOM 103 O GLU A 10 3.797 -6.397 -5.290 1.00 0.00 O ATOM 104 CB GLU A 10 0.635 -5.109 -5.046 1.00 0.00 C ATOM 105 CG GLU A 10 1.025 -4.672 -6.460 1.00 0.00 C ATOM 106 CD GLU A 10 -0.014 -3.712 -7.043 1.00 0.00 C ATOM 107 OE1 GLU A 10 -1.117 -4.200 -7.371 1.00 0.00 O ATOM 108 OE2 GLU A 10 0.319 -2.512 -7.148 1.00 0.00 O ATOM 0 H GLU A 10 3.485 -4.205 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 10 1.534 -5.766 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.019 -5.979 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.070 -4.314 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.001 -4.188 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.118 -5.548 -7.103 1.00 0.00 H new ATOM 115 N TRP A 11 2.040 -7.758 -4.872 1.00 0.00 N ATOM 116 CA TRP A 11 2.672 -8.934 -5.445 1.00 0.00 C ATOM 117 C TRP A 11 2.342 -8.968 -6.938 1.00 0.00 C ATOM 118 O TRP A 11 1.725 -8.043 -7.463 1.00 0.00 O ATOM 119 CB TRP A 11 2.238 -10.203 -4.707 1.00 0.00 C ATOM 120 CG TRP A 11 2.749 -10.291 -3.268 1.00 0.00 C ATOM 121 CD1 TRP A 11 3.221 -9.302 -2.498 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.821 -11.480 -2.453 1.00 0.00 C ATOM 123 NE1 TRP A 11 3.590 -9.764 -1.251 1.00 0.00 N ATOM 124 CE2 TRP A 11 3.339 -11.130 -1.222 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.460 -12.807 -2.745 1.00 0.00 C ATOM 126 CZ2 TRP A 11 3.543 -12.050 -0.187 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.670 -13.714 -1.700 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.190 -13.378 -0.456 1.00 0.00 C ATOM 0 H TRP A 11 1.102 -7.915 -4.504 1.00 0.00 H new ATOM 0 HA TRP A 11 3.755 -8.886 -5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.149 -10.252 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.592 -11.072 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.303 -8.272 -2.813 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.976 -9.205 -0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.053 -13.103 -3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.951 -11.752 0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.410 -14.748 -1.873 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.321 -14.138 0.300 1.00 0.00 H new ATOM 139 N ASN A 12 2.767 -10.046 -7.581 1.00 0.00 N ATOM 140 CA ASN A 12 2.525 -10.213 -9.004 1.00 0.00 C ATOM 141 C ASN A 12 1.873 -11.575 -9.249 1.00 0.00 C ATOM 142 O ASN A 12 2.003 -12.486 -8.432 1.00 0.00 O ATOM 143 CB ASN A 12 3.834 -10.166 -9.795 1.00 0.00 C ATOM 144 CG ASN A 12 4.680 -11.412 -9.528 1.00 0.00 C ATOM 145 OD1 ASN A 12 4.371 -12.235 -8.683 1.00 0.00 O ATOM 146 ND2 ASN A 12 5.763 -11.505 -10.295 1.00 0.00 N ATOM 0 H ASN A 12 3.278 -10.812 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 12 1.876 -9.402 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.617 -10.091 -10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.397 -9.274 -9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.393 -12.301 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.964 -10.780 -10.984 1.00 0.00 H new ATOM 153 N GLU A 13 1.185 -11.672 -10.378 1.00 0.00 N ATOM 154 CA GLU A 13 0.513 -12.908 -10.741 1.00 0.00 C ATOM 155 C GLU A 13 1.369 -14.113 -10.347 1.00 0.00 C ATOM 156 O GLU A 13 0.908 -14.999 -9.629 1.00 0.00 O ATOM 157 CB GLU A 13 0.183 -12.934 -12.234 1.00 0.00 C ATOM 158 CG GLU A 13 -1.225 -13.483 -12.475 1.00 0.00 C ATOM 159 CD GLU A 13 -2.253 -12.351 -12.528 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.182 -11.564 -13.497 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.088 -12.298 -11.599 1.00 0.00 O ATOM 0 H GLU A 13 1.079 -10.915 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.428 -12.962 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.260 -11.927 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.912 -13.550 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.246 -14.042 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.488 -14.181 -11.680 1.00 0.00 H new ATOM 168 N LYS A 14 2.601 -14.109 -10.836 1.00 0.00 N ATOM 169 CA LYS A 14 3.525 -15.191 -10.545 1.00 0.00 C ATOM 170 C LYS A 14 3.438 -15.544 -9.058 1.00 0.00 C ATOM 171 O LYS A 14 3.362 -16.718 -8.699 1.00 0.00 O ATOM 172 CB LYS A 14 4.938 -14.829 -11.009 1.00 0.00 C ATOM 173 CG LYS A 14 5.313 -15.600 -12.276 1.00 0.00 C ATOM 174 CD LYS A 14 6.601 -15.050 -12.891 1.00 0.00 C ATOM 175 CE LYS A 14 7.808 -15.898 -12.486 1.00 0.00 C ATOM 176 NZ LYS A 14 8.980 -15.568 -13.328 1.00 0.00 N ATOM 0 H LYS A 14 2.980 -13.373 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 14 3.251 -16.086 -11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.999 -13.758 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.653 -15.053 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.441 -16.656 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.502 -15.532 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.511 -15.034 -13.977 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.751 -14.020 -12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.046 -15.724 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.567 -16.956 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.790 -16.153 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.755 -15.756 -14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.219 -14.563 -13.211 1.00 0.00 H new ATOM 190 N GLU A 15 3.452 -14.507 -8.235 1.00 0.00 N ATOM 191 CA GLU A 15 3.376 -14.693 -6.795 1.00 0.00 C ATOM 192 C GLU A 15 1.977 -15.167 -6.395 1.00 0.00 C ATOM 193 O GLU A 15 1.828 -16.222 -5.781 1.00 0.00 O ATOM 194 CB GLU A 15 3.752 -13.407 -6.056 1.00 0.00 C ATOM 195 CG GLU A 15 5.219 -13.047 -6.294 1.00 0.00 C ATOM 196 CD GLU A 15 5.400 -11.532 -6.411 1.00 0.00 C ATOM 197 OE1 GLU A 15 4.746 -10.819 -5.620 1.00 0.00 O ATOM 198 OE2 GLU A 15 6.188 -11.121 -7.290 1.00 0.00 O ATOM 0 H GLU A 15 3.515 -13.535 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 15 4.094 -15.461 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.114 -12.590 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.573 -13.531 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.828 -13.427 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.573 -13.530 -7.205 1.00 0.00 H new ATOM 205 N LEU A 16 0.988 -14.364 -6.759 1.00 0.00 N ATOM 206 CA LEU A 16 -0.393 -14.688 -6.446 1.00 0.00 C ATOM 207 C LEU A 16 -0.669 -16.145 -6.824 1.00 0.00 C ATOM 208 O LEU A 16 -0.857 -16.991 -5.951 1.00 0.00 O ATOM 209 CB LEU A 16 -1.342 -13.690 -7.111 1.00 0.00 C ATOM 210 CG LEU A 16 -1.451 -12.319 -6.441 1.00 0.00 C ATOM 211 CD1 LEU A 16 -1.901 -12.455 -4.985 1.00 0.00 C ATOM 212 CD2 LEU A 16 -0.140 -11.541 -6.566 1.00 0.00 C ATOM 0 H LEU A 16 1.116 -13.489 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.572 -14.597 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.019 -13.544 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.337 -14.134 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.216 -11.744 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.971 -11.466 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.877 -12.940 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.177 -13.056 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.245 -10.570 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.663 -12.101 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.098 -11.396 -7.620 1.00 0.00 H new ATOM 224 N GLN A 17 -0.684 -16.392 -8.125 1.00 0.00 N ATOM 225 CA GLN A 17 -0.934 -17.732 -8.629 1.00 0.00 C ATOM 226 C GLN A 17 -0.245 -18.770 -7.741 1.00 0.00 C ATOM 227 O GLN A 17 -0.818 -19.818 -7.445 1.00 0.00 O ATOM 228 CB GLN A 17 -0.477 -17.865 -10.083 1.00 0.00 C ATOM 229 CG GLN A 17 1.045 -17.993 -10.170 1.00 0.00 C ATOM 230 CD GLN A 17 1.496 -18.208 -11.617 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.719 -18.127 -12.554 1.00 0.00 O ATOM 232 NE2 GLN A 17 2.790 -18.485 -11.744 1.00 0.00 N ATOM 0 H GLN A 17 -0.527 -15.687 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.008 -17.915 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.945 -18.738 -10.537 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.805 -16.995 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.513 -17.094 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.379 -18.827 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.384 -18.538 -10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.189 -18.645 -12.669 1.00 0.00 H new ATOM 241 N LYS A 18 0.975 -18.443 -7.340 1.00 0.00 N ATOM 242 CA LYS A 18 1.747 -19.335 -6.492 1.00 0.00 C ATOM 243 C LYS A 18 1.066 -19.450 -5.127 1.00 0.00 C ATOM 244 O LYS A 18 0.851 -20.554 -4.628 1.00 0.00 O ATOM 245 CB LYS A 18 3.204 -18.872 -6.415 1.00 0.00 C ATOM 246 CG LYS A 18 4.005 -19.382 -7.615 1.00 0.00 C ATOM 247 CD LYS A 18 5.506 -19.186 -7.395 1.00 0.00 C ATOM 248 CE LYS A 18 6.094 -18.237 -8.441 1.00 0.00 C ATOM 249 NZ LYS A 18 7.335 -18.803 -9.016 1.00 0.00 N ATOM 0 H LYS A 18 1.447 -17.573 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 18 1.776 -20.337 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.242 -17.783 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.656 -19.233 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.792 -20.439 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.694 -18.853 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.682 -18.786 -6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.014 -20.149 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.366 -18.063 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.306 -17.270 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.721 -18.146 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.034 -18.946 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.123 -19.715 -9.469 1.00 0.00 H new ATOM 263 N LEU A 19 0.747 -18.296 -4.561 1.00 0.00 N ATOM 264 CA LEU A 19 0.095 -18.253 -3.263 1.00 0.00 C ATOM 265 C LEU A 19 -1.199 -19.069 -3.320 1.00 0.00 C ATOM 266 O LEU A 19 -1.392 -19.990 -2.528 1.00 0.00 O ATOM 267 CB LEU A 19 -0.111 -16.805 -2.813 1.00 0.00 C ATOM 268 CG LEU A 19 -0.921 -16.610 -1.531 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.210 -17.239 -0.331 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.234 -15.130 -1.300 1.00 0.00 C ATOM 0 H LEU A 19 0.928 -17.383 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 19 0.729 -18.711 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.868 -16.346 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.606 -16.262 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.874 -17.127 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.808 -17.086 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.081 -18.308 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.766 -16.772 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.811 -15.019 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.303 -14.570 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.812 -14.745 -2.140 1.00 0.00 H new ATOM 282 N HIS A 20 -2.051 -18.700 -4.265 1.00 0.00 N ATOM 283 CA HIS A 20 -3.321 -19.386 -4.436 1.00 0.00 C ATOM 284 C HIS A 20 -3.068 -20.856 -4.778 1.00 0.00 C ATOM 285 O HIS A 20 -3.537 -21.750 -4.075 1.00 0.00 O ATOM 286 CB HIS A 20 -4.186 -18.675 -5.479 1.00 0.00 C ATOM 287 CG HIS A 20 -4.534 -17.251 -5.120 1.00 0.00 C ATOM 288 ND1 HIS A 20 -5.838 -16.817 -4.949 1.00 0.00 N ATOM 289 CD2 HIS A 20 -3.736 -16.166 -4.900 1.00 0.00 C ATOM 290 CE1 HIS A 20 -5.813 -15.529 -4.642 1.00 0.00 C ATOM 291 NE2 HIS A 20 -4.510 -15.127 -4.613 1.00 0.00 N ATOM 0 H HIS A 20 -1.887 -17.935 -4.920 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.883 -19.358 -3.502 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.662 -18.680 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.108 -19.240 -5.617 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -6.675 -17.392 -5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.657 -16.155 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.674 -14.906 -4.448 1.00 0.00 H new ATOM 299 N CYS A 21 -2.328 -21.061 -5.857 1.00 0.00 N ATOM 300 CA CYS A 21 -2.008 -22.407 -6.301 1.00 0.00 C ATOM 301 C CYS A 21 -1.651 -23.245 -5.072 1.00 0.00 C ATOM 302 O CYS A 21 -2.406 -24.135 -4.682 1.00 0.00 O ATOM 303 CB CYS A 21 -0.883 -22.408 -7.338 1.00 0.00 C ATOM 304 SG CYS A 21 -0.403 -24.128 -7.738 1.00 0.00 S ATOM 0 H CYS A 21 -1.940 -20.317 -6.437 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.873 -22.844 -6.800 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.210 -21.893 -8.242 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.022 -21.861 -6.953 1.00 0.00 H new ATOM 0 HG CYS A 21 0.551 -24.118 -8.621 1.00 0.00 H new ATOM 310 N ALA A 22 -0.500 -22.932 -4.494 1.00 0.00 N ATOM 311 CA ALA A 22 -0.034 -23.645 -3.318 1.00 0.00 C ATOM 312 C ALA A 22 -1.158 -23.698 -2.281 1.00 0.00 C ATOM 313 O ALA A 22 -1.532 -24.776 -1.820 1.00 0.00 O ATOM 314 CB ALA A 22 1.227 -22.969 -2.776 1.00 0.00 C ATOM 0 H ALA A 22 0.124 -22.193 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 22 0.230 -24.672 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.576 -23.505 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.004 -22.983 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.000 -21.937 -2.508 1.00 0.00 H new ATOM 320 N PHE A 23 -1.666 -22.522 -1.944 1.00 0.00 N ATOM 321 CA PHE A 23 -2.739 -22.421 -0.970 1.00 0.00 C ATOM 322 C PHE A 23 -3.848 -23.431 -1.270 1.00 0.00 C ATOM 323 O PHE A 23 -4.525 -23.905 -0.358 1.00 0.00 O ATOM 324 CB PHE A 23 -3.311 -21.006 -1.079 1.00 0.00 C ATOM 325 CG PHE A 23 -4.670 -20.830 -0.398 1.00 0.00 C ATOM 326 CD1 PHE A 23 -4.732 -20.562 0.934 1.00 0.00 C ATOM 327 CD2 PHE A 23 -5.814 -20.940 -1.124 1.00 0.00 C ATOM 328 CE1 PHE A 23 -5.993 -20.398 1.566 1.00 0.00 C ATOM 329 CE2 PHE A 23 -7.075 -20.777 -0.492 1.00 0.00 C ATOM 330 CZ PHE A 23 -7.138 -20.509 0.840 1.00 0.00 C ATOM 0 H PHE A 23 -1.354 -21.630 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.355 -22.629 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.602 -20.304 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.407 -20.744 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.823 -20.474 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.764 -21.151 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.043 -20.185 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.984 -20.866 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.097 -20.384 1.321 1.00 0.00 H new ATOM 340 N ALA A 24 -4.000 -23.732 -2.551 1.00 0.00 N ATOM 341 CA ALA A 24 -5.015 -24.678 -2.983 1.00 0.00 C ATOM 342 C ALA A 24 -4.440 -26.095 -2.934 1.00 0.00 C ATOM 343 O ALA A 24 -5.007 -26.977 -2.291 1.00 0.00 O ATOM 344 CB ALA A 24 -5.508 -24.296 -4.380 1.00 0.00 C ATOM 0 H ALA A 24 -3.437 -23.337 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.876 -24.649 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.269 -25.006 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.934 -23.293 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.672 -24.317 -5.079 1.00 0.00 H new ATOM 350 N SER A 25 -3.322 -26.269 -3.623 1.00 0.00 N ATOM 351 CA SER A 25 -2.664 -27.564 -3.666 1.00 0.00 C ATOM 352 C SER A 25 -2.416 -28.073 -2.244 1.00 0.00 C ATOM 353 O SER A 25 -2.852 -29.166 -1.888 1.00 0.00 O ATOM 354 CB SER A 25 -1.346 -27.486 -4.439 1.00 0.00 C ATOM 355 OG SER A 25 -1.086 -28.680 -5.173 1.00 0.00 O ATOM 0 H SER A 25 -2.855 -25.535 -4.156 1.00 0.00 H new ATOM 0 HA SER A 25 -3.319 -28.263 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.377 -26.639 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.528 -27.303 -3.743 1.00 0.00 H new ATOM 0 HG SER A 25 -0.237 -28.590 -5.654 1.00 0.00 H new ATOM 361 N LEU A 26 -1.717 -27.255 -1.471 1.00 0.00 N ATOM 362 CA LEU A 26 -1.407 -27.609 -0.096 1.00 0.00 C ATOM 363 C LEU A 26 -2.659 -27.438 0.766 1.00 0.00 C ATOM 364 O LEU A 26 -3.451 -26.523 0.542 1.00 0.00 O ATOM 365 CB LEU A 26 -0.202 -26.809 0.404 1.00 0.00 C ATOM 366 CG LEU A 26 1.163 -27.247 -0.130 1.00 0.00 C ATOM 367 CD1 LEU A 26 2.101 -26.049 -0.286 1.00 0.00 C ATOM 368 CD2 LEU A 26 1.771 -28.341 0.751 1.00 0.00 C ATOM 0 H LEU A 26 -1.357 -26.349 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.115 -28.657 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.353 -25.762 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.179 -26.866 1.492 1.00 0.00 H new ATOM 0 HG LEU A 26 1.020 -27.675 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.064 -26.388 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.666 -25.335 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.243 -25.569 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.741 -28.634 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.898 -27.963 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.108 -29.206 0.766 1.00 0.00 H new ATOM 380 N PRO A 27 -2.804 -28.356 1.758 1.00 0.00 N ATOM 381 CA PRO A 27 -3.947 -28.316 2.655 1.00 0.00 C ATOM 382 C PRO A 27 -3.804 -27.185 3.675 1.00 0.00 C ATOM 383 O PRO A 27 -2.690 -26.791 4.019 1.00 0.00 O ATOM 384 CB PRO A 27 -3.992 -29.693 3.297 1.00 0.00 C ATOM 385 CG PRO A 27 -2.611 -30.294 3.091 1.00 0.00 C ATOM 386 CD PRO A 27 -1.886 -29.453 2.053 1.00 0.00 C ATOM 0 HA PRO A 27 -4.882 -28.103 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.233 -29.622 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.761 -30.314 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.056 -30.305 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.691 -31.328 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.936 -29.082 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.663 -30.034 1.158 1.00 0.00 H new ATOM 394 N LYS A 28 -4.947 -26.693 4.130 1.00 0.00 N ATOM 395 CA LYS A 28 -4.963 -25.615 5.104 1.00 0.00 C ATOM 396 C LYS A 28 -5.028 -26.207 6.513 1.00 0.00 C ATOM 397 O LYS A 28 -5.029 -25.472 7.499 1.00 0.00 O ATOM 398 CB LYS A 28 -6.096 -24.633 4.797 1.00 0.00 C ATOM 399 CG LYS A 28 -5.811 -23.851 3.513 1.00 0.00 C ATOM 400 CD LYS A 28 -6.176 -24.675 2.276 1.00 0.00 C ATOM 401 CE LYS A 28 -7.070 -23.874 1.328 1.00 0.00 C ATOM 402 NZ LYS A 28 -8.085 -24.753 0.707 1.00 0.00 N ATOM 0 H LYS A 28 -5.869 -27.021 3.842 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.043 -25.034 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.035 -25.176 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.217 -23.940 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.380 -22.921 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.756 -23.579 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.268 -24.978 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.688 -25.588 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.562 -23.070 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.462 -23.407 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.684 -24.194 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.610 -25.505 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.676 -25.179 1.449 1.00 0.00 H new ATOM 416 N HIS A 29 -5.079 -27.530 6.562 1.00 0.00 N ATOM 417 CA HIS A 29 -5.144 -28.229 7.834 1.00 0.00 C ATOM 418 C HIS A 29 -3.730 -28.591 8.293 1.00 0.00 C ATOM 419 O HIS A 29 -3.557 -29.348 9.247 1.00 0.00 O ATOM 420 CB HIS A 29 -6.066 -29.446 7.739 1.00 0.00 C ATOM 421 CG HIS A 29 -5.626 -30.472 6.723 1.00 0.00 C ATOM 422 ND1 HIS A 29 -6.337 -30.733 5.564 1.00 0.00 N ATOM 423 CD2 HIS A 29 -4.540 -31.298 6.702 1.00 0.00 C ATOM 424 CE1 HIS A 29 -5.699 -31.675 4.885 1.00 0.00 C ATOM 425 NE2 HIS A 29 -4.587 -32.025 5.592 1.00 0.00 N ATOM 0 H HIS A 29 -5.077 -28.136 5.742 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.578 -27.575 8.590 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.125 -29.921 8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.071 -29.108 7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.772 -31.351 7.460 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.006 -32.092 3.937 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.904 -32.729 5.314 1.00 0.00 H new ATOM 433 N LYS A 30 -2.754 -28.033 7.592 1.00 0.00 N ATOM 434 CA LYS A 30 -1.360 -28.287 7.916 1.00 0.00 C ATOM 435 C LYS A 30 -0.874 -27.238 8.917 1.00 0.00 C ATOM 436 O LYS A 30 -1.514 -26.203 9.098 1.00 0.00 O ATOM 437 CB LYS A 30 -0.518 -28.357 6.640 1.00 0.00 C ATOM 438 CG LYS A 30 -0.216 -29.808 6.261 1.00 0.00 C ATOM 439 CD LYS A 30 0.970 -29.888 5.298 1.00 0.00 C ATOM 440 CE LYS A 30 1.289 -31.341 4.940 1.00 0.00 C ATOM 441 NZ LYS A 30 1.993 -32.008 6.058 1.00 0.00 N ATOM 0 H LYS A 30 -2.901 -27.406 6.801 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.251 -29.260 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.048 -27.867 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.416 -27.814 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.002 -30.385 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.095 -30.257 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.745 -29.327 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.844 -29.421 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.367 -31.876 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.907 -31.373 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.247 -32.977 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.856 -31.477 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.371 -32.039 6.891 1.00 0.00 H new ATOM 455 N PRO A 31 0.285 -27.548 9.558 1.00 0.00 N ATOM 456 CA PRO A 31 0.865 -26.644 10.536 1.00 0.00 C ATOM 457 C PRO A 31 1.524 -25.445 9.852 1.00 0.00 C ATOM 458 O PRO A 31 0.966 -24.349 9.838 1.00 0.00 O ATOM 459 CB PRO A 31 1.849 -27.494 11.323 1.00 0.00 C ATOM 460 CG PRO A 31 2.125 -28.716 10.462 1.00 0.00 C ATOM 461 CD PRO A 31 1.071 -28.764 9.369 1.00 0.00 C ATOM 0 HA PRO A 31 0.118 -26.207 11.199 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.767 -26.943 11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.432 -27.782 12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.123 -28.659 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.091 -29.623 11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.528 -28.791 8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.449 -29.655 9.457 1.00 0.00 H new ATOM 469 N GLY A 32 2.703 -25.694 9.300 1.00 0.00 N ATOM 470 CA GLY A 32 3.444 -24.649 8.615 1.00 0.00 C ATOM 471 C GLY A 32 2.912 -24.439 7.196 1.00 0.00 C ATOM 472 O GLY A 32 3.681 -24.433 6.235 1.00 0.00 O ATOM 0 H GLY A 32 3.163 -26.604 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.370 -23.718 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.501 -24.914 8.576 1.00 0.00 H new ATOM 476 N PHE A 33 1.601 -24.272 7.108 1.00 0.00 N ATOM 477 CA PHE A 33 0.957 -24.062 5.823 1.00 0.00 C ATOM 478 C PHE A 33 1.621 -22.916 5.057 1.00 0.00 C ATOM 479 O PHE A 33 1.757 -22.977 3.836 1.00 0.00 O ATOM 480 CB PHE A 33 -0.500 -23.693 6.107 1.00 0.00 C ATOM 481 CG PHE A 33 -1.307 -23.335 4.857 1.00 0.00 C ATOM 482 CD1 PHE A 33 -1.506 -24.267 3.886 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.825 -22.086 4.717 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.254 -23.935 2.726 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.574 -21.754 3.557 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.772 -22.685 2.586 1.00 0.00 C ATOM 0 H PHE A 33 0.967 -24.278 7.907 1.00 0.00 H new ATOM 0 HA PHE A 33 1.037 -24.964 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.984 -24.529 6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.522 -22.848 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.095 -25.259 3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.667 -21.346 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.412 -24.675 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.986 -20.762 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.341 -22.432 1.703 1.00 0.00 H new ATOM 496 N TRP A 34 2.018 -21.898 5.807 1.00 0.00 N ATOM 497 CA TRP A 34 2.664 -20.740 5.214 1.00 0.00 C ATOM 498 C TRP A 34 4.024 -21.184 4.671 1.00 0.00 C ATOM 499 O TRP A 34 4.344 -20.932 3.510 1.00 0.00 O ATOM 500 CB TRP A 34 2.769 -19.594 6.223 1.00 0.00 C ATOM 501 CG TRP A 34 1.430 -18.933 6.556 1.00 0.00 C ATOM 502 CD1 TRP A 34 0.884 -18.737 7.764 1.00 0.00 C ATOM 503 CD2 TRP A 34 0.484 -18.386 5.613 1.00 0.00 C ATOM 504 NE1 TRP A 34 -0.339 -18.105 7.669 1.00 0.00 N ATOM 505 CE2 TRP A 34 -0.590 -17.885 6.320 1.00 0.00 C ATOM 506 CE3 TRP A 34 0.534 -18.316 4.210 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -1.695 -17.280 5.709 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -0.577 -17.708 3.614 1.00 0.00 C ATOM 509 CH2 TRP A 34 -1.667 -17.199 4.312 1.00 0.00 C ATOM 0 H TRP A 34 1.905 -21.852 6.820 1.00 0.00 H new ATOM 0 HA TRP A 34 2.070 -20.348 4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.214 -19.973 7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.448 -18.838 5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 34 1.343 -19.036 8.695 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.947 -17.847 8.446 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.364 -18.701 3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.524 -16.896 6.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.589 -17.629 2.537 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.488 -16.743 3.778 1.00 0.00 H new ATOM 520 N SER A 35 4.787 -21.836 5.535 1.00 0.00 N ATOM 521 CA SER A 35 6.104 -22.318 5.156 1.00 0.00 C ATOM 522 C SER A 35 6.013 -23.125 3.860 1.00 0.00 C ATOM 523 O SER A 35 6.942 -23.117 3.053 1.00 0.00 O ATOM 524 CB SER A 35 6.721 -23.167 6.269 1.00 0.00 C ATOM 525 OG SER A 35 6.464 -24.557 6.085 1.00 0.00 O ATOM 0 H SER A 35 4.518 -22.042 6.497 1.00 0.00 H new ATOM 0 HA SER A 35 6.750 -21.455 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.797 -22.998 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.321 -22.849 7.232 1.00 0.00 H new ATOM 0 HG SER A 35 5.497 -24.717 6.110 1.00 0.00 H new ATOM 531 N GLU A 36 4.886 -23.803 3.701 1.00 0.00 N ATOM 532 CA GLU A 36 4.662 -24.614 2.516 1.00 0.00 C ATOM 533 C GLU A 36 4.403 -23.720 1.302 1.00 0.00 C ATOM 534 O GLU A 36 5.189 -23.710 0.355 1.00 0.00 O ATOM 535 CB GLU A 36 3.506 -25.593 2.733 1.00 0.00 C ATOM 536 CG GLU A 36 3.848 -26.614 3.819 1.00 0.00 C ATOM 537 CD GLU A 36 2.785 -27.712 3.895 1.00 0.00 C ATOM 538 OE1 GLU A 36 1.590 -27.345 3.890 1.00 0.00 O ATOM 539 OE2 GLU A 36 3.191 -28.892 3.956 1.00 0.00 O ATOM 0 H GLU A 36 4.118 -23.808 4.373 1.00 0.00 H new ATOM 0 HA GLU A 36 5.561 -25.200 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.608 -25.044 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.283 -26.110 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.821 -27.059 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.927 -26.112 4.783 1.00 0.00 H new ATOM 546 N VAL A 37 3.299 -22.992 1.368 1.00 0.00 N ATOM 547 CA VAL A 37 2.927 -22.097 0.285 1.00 0.00 C ATOM 548 C VAL A 37 4.100 -21.165 -0.026 1.00 0.00 C ATOM 549 O VAL A 37 4.206 -20.644 -1.135 1.00 0.00 O ATOM 550 CB VAL A 37 1.645 -21.343 0.646 1.00 0.00 C ATOM 551 CG1 VAL A 37 0.612 -22.286 1.267 1.00 0.00 C ATOM 552 CG2 VAL A 37 1.944 -20.167 1.577 1.00 0.00 C ATOM 0 H VAL A 37 2.649 -23.003 2.154 1.00 0.00 H new ATOM 0 HA VAL A 37 2.712 -22.663 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 37 1.222 -20.941 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.290 -21.726 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.365 -23.075 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.023 -22.730 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.016 -19.648 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.402 -20.537 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.628 -19.477 1.083 1.00 0.00 H new ATOM 562 N ALA A 38 4.952 -20.984 0.972 1.00 0.00 N ATOM 563 CA ALA A 38 6.113 -20.125 0.819 1.00 0.00 C ATOM 564 C ALA A 38 7.162 -20.839 -0.036 1.00 0.00 C ATOM 565 O ALA A 38 7.991 -20.194 -0.676 1.00 0.00 O ATOM 566 CB ALA A 38 6.650 -19.740 2.199 1.00 0.00 C ATOM 0 H ALA A 38 4.861 -21.418 1.891 1.00 0.00 H new ATOM 0 HA ALA A 38 5.842 -19.202 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.521 -19.095 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.877 -19.209 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.935 -20.641 2.743 1.00 0.00 H new ATOM 572 N ALA A 39 7.091 -22.162 -0.020 1.00 0.00 N ATOM 573 CA ALA A 39 8.024 -22.971 -0.786 1.00 0.00 C ATOM 574 C ALA A 39 7.909 -22.609 -2.268 1.00 0.00 C ATOM 575 O ALA A 39 8.899 -22.247 -2.901 1.00 0.00 O ATOM 576 CB ALA A 39 7.748 -24.453 -0.525 1.00 0.00 C ATOM 0 H ALA A 39 6.402 -22.694 0.511 1.00 0.00 H new ATOM 0 HA ALA A 39 9.050 -22.771 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.448 -25.060 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.871 -24.664 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.728 -24.692 -0.827 1.00 0.00 H new ATOM 582 N ALA A 40 6.691 -22.719 -2.778 1.00 0.00 N ATOM 583 CA ALA A 40 6.434 -22.407 -4.174 1.00 0.00 C ATOM 584 C ALA A 40 6.428 -20.889 -4.361 1.00 0.00 C ATOM 585 O ALA A 40 6.812 -20.388 -5.416 1.00 0.00 O ATOM 586 CB ALA A 40 5.116 -23.052 -4.607 1.00 0.00 C ATOM 0 H ALA A 40 5.872 -23.020 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 40 7.221 -22.814 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.923 -22.818 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.182 -24.133 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.303 -22.665 -3.993 1.00 0.00 H new ATOM 592 N VAL A 41 5.988 -20.198 -3.319 1.00 0.00 N ATOM 593 CA VAL A 41 5.928 -18.747 -3.354 1.00 0.00 C ATOM 594 C VAL A 41 7.288 -18.174 -2.950 1.00 0.00 C ATOM 595 O VAL A 41 7.422 -16.968 -2.749 1.00 0.00 O ATOM 596 CB VAL A 41 4.782 -18.249 -2.471 1.00 0.00 C ATOM 597 CG1 VAL A 41 4.756 -16.720 -2.417 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.440 -18.804 -2.949 1.00 0.00 C ATOM 0 H VAL A 41 5.670 -20.617 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 41 5.716 -18.398 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 41 4.955 -18.617 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.932 -16.392 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.697 -16.354 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.620 -16.323 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.643 -18.434 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.257 -18.481 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.462 -19.893 -2.911 1.00 0.00 H new ATOM 608 N GLY A 42 8.262 -19.066 -2.842 1.00 0.00 N ATOM 609 CA GLY A 42 9.606 -18.664 -2.465 1.00 0.00 C ATOM 610 C GLY A 42 9.838 -17.181 -2.761 1.00 0.00 C ATOM 611 O GLY A 42 10.431 -16.468 -1.952 1.00 0.00 O ATOM 0 H GLY A 42 8.147 -20.066 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.762 -18.855 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.335 -19.265 -3.008 1.00 0.00 H new ATOM 615 N SER A 43 9.359 -16.759 -3.922 1.00 0.00 N ATOM 616 CA SER A 43 9.507 -15.374 -4.334 1.00 0.00 C ATOM 617 C SER A 43 9.309 -14.447 -3.133 1.00 0.00 C ATOM 618 O SER A 43 9.868 -13.351 -3.091 1.00 0.00 O ATOM 619 CB SER A 43 8.516 -15.021 -5.445 1.00 0.00 C ATOM 620 OG SER A 43 9.173 -14.531 -6.611 1.00 0.00 O ATOM 0 H SER A 43 8.868 -17.352 -4.591 1.00 0.00 H new ATOM 0 HA SER A 43 10.515 -15.240 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.931 -15.904 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.816 -14.269 -5.081 1.00 0.00 H new ATOM 0 HG SER A 43 8.506 -14.319 -7.297 1.00 0.00 H new ATOM 626 N ARG A 44 8.513 -14.920 -2.185 1.00 0.00 N ATOM 627 CA ARG A 44 8.236 -14.147 -0.986 1.00 0.00 C ATOM 628 C ARG A 44 8.402 -15.020 0.259 1.00 0.00 C ATOM 629 O ARG A 44 8.794 -16.182 0.159 1.00 0.00 O ATOM 630 CB ARG A 44 6.816 -13.577 -1.015 1.00 0.00 C ATOM 631 CG ARG A 44 6.547 -12.842 -2.330 1.00 0.00 C ATOM 632 CD ARG A 44 6.536 -11.327 -2.119 1.00 0.00 C ATOM 633 NE ARG A 44 6.177 -10.643 -3.382 1.00 0.00 N ATOM 634 CZ ARG A 44 6.472 -9.364 -3.654 1.00 0.00 C ATOM 635 NH1 ARG A 44 7.133 -8.623 -2.754 1.00 0.00 N ATOM 636 NH2 ARG A 44 6.107 -8.827 -4.826 1.00 0.00 N ATOM 0 H ARG A 44 8.051 -15.829 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 44 8.947 -13.321 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.094 -14.384 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.677 -12.894 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.312 -13.105 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.590 -13.163 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.822 -11.065 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.516 -10.992 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 44 5.674 -11.178 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.412 -9.032 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.358 -7.650 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.605 -9.391 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.331 -7.854 -5.033 1.00 0.00 H new ATOM 650 N SER A 45 8.095 -14.428 1.404 1.00 0.00 N ATOM 651 CA SER A 45 8.205 -15.138 2.667 1.00 0.00 C ATOM 652 C SER A 45 6.848 -15.729 3.055 1.00 0.00 C ATOM 653 O SER A 45 5.816 -15.328 2.519 1.00 0.00 O ATOM 654 CB SER A 45 8.718 -14.215 3.774 1.00 0.00 C ATOM 655 OG SER A 45 9.368 -13.061 3.248 1.00 0.00 O ATOM 0 H SER A 45 7.770 -13.464 1.483 1.00 0.00 H new ATOM 0 HA SER A 45 8.924 -15.947 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.884 -13.906 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.412 -14.763 4.411 1.00 0.00 H new ATOM 0 HG SER A 45 9.220 -12.300 3.848 1.00 0.00 H new ATOM 661 N PRO A 46 6.895 -16.698 4.008 1.00 0.00 N ATOM 662 CA PRO A 46 5.683 -17.349 4.474 1.00 0.00 C ATOM 663 C PRO A 46 4.888 -16.427 5.401 1.00 0.00 C ATOM 664 O PRO A 46 3.666 -16.536 5.492 1.00 0.00 O ATOM 665 CB PRO A 46 6.157 -18.618 5.162 1.00 0.00 C ATOM 666 CG PRO A 46 7.631 -18.403 5.464 1.00 0.00 C ATOM 667 CD PRO A 46 8.100 -17.199 4.664 1.00 0.00 C ATOM 0 HA PRO A 46 4.994 -17.586 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.593 -18.800 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.013 -19.487 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.782 -18.235 6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.209 -19.288 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.543 -16.442 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.860 -17.480 3.935 1.00 0.00 H new ATOM 675 N GLU A 47 5.614 -15.541 6.066 1.00 0.00 N ATOM 676 CA GLU A 47 4.992 -14.601 6.984 1.00 0.00 C ATOM 677 C GLU A 47 4.233 -13.524 6.206 1.00 0.00 C ATOM 678 O GLU A 47 3.311 -12.905 6.735 1.00 0.00 O ATOM 679 CB GLU A 47 6.031 -13.975 7.915 1.00 0.00 C ATOM 680 CG GLU A 47 6.476 -14.971 8.989 1.00 0.00 C ATOM 681 CD GLU A 47 6.463 -14.325 10.375 1.00 0.00 C ATOM 682 OE1 GLU A 47 5.586 -13.460 10.590 1.00 0.00 O ATOM 683 OE2 GLU A 47 7.330 -14.710 11.189 1.00 0.00 O ATOM 0 H GLU A 47 6.627 -15.454 5.988 1.00 0.00 H new ATOM 0 HA GLU A 47 4.279 -15.145 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.895 -13.650 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.612 -13.087 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.816 -15.838 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.479 -15.332 8.762 1.00 0.00 H new ATOM 690 N GLU A 48 4.649 -13.333 4.963 1.00 0.00 N ATOM 691 CA GLU A 48 4.020 -12.341 4.107 1.00 0.00 C ATOM 692 C GLU A 48 2.792 -12.938 3.417 1.00 0.00 C ATOM 693 O GLU A 48 1.793 -12.249 3.217 1.00 0.00 O ATOM 694 CB GLU A 48 5.014 -11.793 3.081 1.00 0.00 C ATOM 695 CG GLU A 48 6.268 -11.250 3.768 1.00 0.00 C ATOM 696 CD GLU A 48 7.480 -11.327 2.836 1.00 0.00 C ATOM 697 OE1 GLU A 48 7.320 -11.915 1.745 1.00 0.00 O ATOM 698 OE2 GLU A 48 8.538 -10.797 3.237 1.00 0.00 O ATOM 0 H GLU A 48 5.414 -13.848 4.528 1.00 0.00 H new ATOM 0 HA GLU A 48 3.694 -11.507 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.291 -12.581 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.542 -11.001 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.102 -10.216 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.466 -11.820 4.676 1.00 0.00 H new ATOM 705 N CYS A 49 2.907 -14.212 3.073 1.00 0.00 N ATOM 706 CA CYS A 49 1.818 -14.909 2.410 1.00 0.00 C ATOM 707 C CYS A 49 0.552 -14.733 3.251 1.00 0.00 C ATOM 708 O CYS A 49 -0.558 -14.755 2.721 1.00 0.00 O ATOM 709 CB CYS A 49 2.149 -16.385 2.179 1.00 0.00 C ATOM 710 SG CYS A 49 3.683 -16.536 1.193 1.00 0.00 S ATOM 0 H CYS A 49 3.738 -14.780 3.241 1.00 0.00 H new ATOM 0 HA CYS A 49 1.658 -14.481 1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.271 -16.893 3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.324 -16.874 1.661 1.00 0.00 H new ATOM 0 HG CYS A 49 4.664 -15.965 1.827 1.00 0.00 H new ATOM 716 N GLN A 50 0.760 -14.562 4.548 1.00 0.00 N ATOM 717 CA GLN A 50 -0.350 -14.382 5.467 1.00 0.00 C ATOM 718 C GLN A 50 -0.888 -12.952 5.377 1.00 0.00 C ATOM 719 O GLN A 50 -2.094 -12.745 5.254 1.00 0.00 O ATOM 720 CB GLN A 50 0.063 -14.723 6.900 1.00 0.00 C ATOM 721 CG GLN A 50 -1.073 -14.431 7.883 1.00 0.00 C ATOM 722 CD GLN A 50 -0.548 -13.719 9.132 1.00 0.00 C ATOM 723 OE1 GLN A 50 -0.434 -12.506 9.186 1.00 0.00 O ATOM 724 NE2 GLN A 50 -0.235 -14.541 10.131 1.00 0.00 N ATOM 0 H GLN A 50 1.682 -14.544 4.984 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.147 -15.068 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.340 -15.775 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.945 -14.144 7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.828 -13.813 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.560 -15.363 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.355 -15.548 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.125 -14.164 11.008 1.00 0.00 H new ATOM 733 N ARG A 51 0.034 -12.002 5.442 1.00 0.00 N ATOM 734 CA ARG A 51 -0.332 -10.598 5.369 1.00 0.00 C ATOM 735 C ARG A 51 -1.029 -10.299 4.040 1.00 0.00 C ATOM 736 O ARG A 51 -2.134 -9.760 4.022 1.00 0.00 O ATOM 737 CB ARG A 51 0.899 -9.700 5.504 1.00 0.00 C ATOM 738 CG ARG A 51 0.921 -9.001 6.865 1.00 0.00 C ATOM 739 CD ARG A 51 2.319 -9.051 7.485 1.00 0.00 C ATOM 740 NE ARG A 51 2.362 -8.215 8.705 1.00 0.00 N ATOM 741 CZ ARG A 51 2.564 -6.891 8.703 1.00 0.00 C ATOM 742 NH1 ARG A 51 2.744 -6.243 7.544 1.00 0.00 N ATOM 743 NH2 ARG A 51 2.587 -6.214 9.859 1.00 0.00 N ATOM 0 H ARG A 51 1.034 -12.177 5.544 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.012 -10.390 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.803 -10.296 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.899 -8.955 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.607 -7.963 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.205 -9.478 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.580 -10.080 7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.058 -8.697 6.766 1.00 0.00 H new ATOM 0 HE ARG A 51 2.229 -8.676 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.727 -6.758 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.898 -5.235 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.451 -6.707 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.741 -5.206 9.857 1.00 0.00 H new ATOM 757 N LYS A 52 -0.354 -10.663 2.960 1.00 0.00 N ATOM 758 CA LYS A 52 -0.895 -10.441 1.629 1.00 0.00 C ATOM 759 C LYS A 52 -2.303 -11.033 1.551 1.00 0.00 C ATOM 760 O LYS A 52 -3.283 -10.300 1.430 1.00 0.00 O ATOM 761 CB LYS A 52 0.061 -10.984 0.565 1.00 0.00 C ATOM 762 CG LYS A 52 -0.661 -11.185 -0.769 1.00 0.00 C ATOM 763 CD LYS A 52 -1.169 -9.852 -1.324 1.00 0.00 C ATOM 764 CE LYS A 52 -0.413 -9.463 -2.595 1.00 0.00 C ATOM 765 NZ LYS A 52 -1.336 -8.868 -3.586 1.00 0.00 N ATOM 0 H LYS A 52 0.563 -11.110 2.979 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.986 -9.374 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.893 -10.293 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.484 -11.931 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.016 -11.648 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.498 -11.870 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.235 -9.926 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.049 -9.072 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.377 -8.752 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.070 -10.342 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.852 -8.782 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.172 -9.478 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.633 -7.926 -3.261 1.00 0.00 H new ATOM 779 N TYR A 53 -2.360 -12.355 1.622 1.00 0.00 N ATOM 780 CA TYR A 53 -3.632 -13.054 1.560 1.00 0.00 C ATOM 781 C TYR A 53 -4.697 -12.329 2.386 1.00 0.00 C ATOM 782 O TYR A 53 -5.738 -11.940 1.859 1.00 0.00 O ATOM 783 CB TYR A 53 -3.384 -14.436 2.170 1.00 0.00 C ATOM 784 CG TYR A 53 -4.554 -15.408 2.004 1.00 0.00 C ATOM 785 CD1 TYR A 53 -5.587 -15.407 2.919 1.00 0.00 C ATOM 786 CD2 TYR A 53 -4.576 -16.286 0.939 1.00 0.00 C ATOM 787 CE1 TYR A 53 -6.688 -16.322 2.763 1.00 0.00 C ATOM 788 CE2 TYR A 53 -5.676 -17.201 0.783 1.00 0.00 C ATOM 789 CZ TYR A 53 -6.678 -17.174 1.703 1.00 0.00 C ATOM 790 OH TYR A 53 -7.718 -18.038 1.555 1.00 0.00 O ATOM 0 H TYR A 53 -1.545 -12.960 1.722 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.990 -13.109 0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.496 -14.871 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.169 -14.320 3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.570 -14.720 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.768 -16.286 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.503 -16.331 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.705 -17.893 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.429 -18.943 1.797 1.00 0.00 H new ATOM 800 N MET A 54 -4.399 -12.170 3.667 1.00 0.00 N ATOM 801 CA MET A 54 -5.318 -11.499 4.571 1.00 0.00 C ATOM 802 C MET A 54 -5.791 -10.168 3.983 1.00 0.00 C ATOM 803 O MET A 54 -6.962 -9.812 4.107 1.00 0.00 O ATOM 804 CB MET A 54 -4.624 -11.248 5.911 1.00 0.00 C ATOM 805 CG MET A 54 -4.442 -12.553 6.688 1.00 0.00 C ATOM 806 SD MET A 54 -5.543 -12.585 8.093 1.00 0.00 S ATOM 807 CE MET A 54 -4.902 -11.202 9.021 1.00 0.00 C ATOM 0 H MET A 54 -3.534 -12.494 4.100 1.00 0.00 H new ATOM 0 HA MET A 54 -6.188 -12.140 4.717 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.653 -10.784 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.212 -10.547 6.503 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.644 -13.404 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.409 -12.646 7.023 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.981 -11.412 10.088 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.856 -11.042 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.477 -10.307 8.784 1.00 0.00 H new ATOM 817 N GLU A 55 -4.857 -9.470 3.355 1.00 0.00 N ATOM 818 CA GLU A 55 -5.163 -8.186 2.748 1.00 0.00 C ATOM 819 C GLU A 55 -6.056 -8.379 1.520 1.00 0.00 C ATOM 820 O GLU A 55 -6.999 -7.618 1.308 1.00 0.00 O ATOM 821 CB GLU A 55 -3.883 -7.433 2.381 1.00 0.00 C ATOM 822 CG GLU A 55 -3.068 -7.096 3.631 1.00 0.00 C ATOM 823 CD GLU A 55 -2.853 -5.587 3.756 1.00 0.00 C ATOM 824 OE1 GLU A 55 -1.996 -5.071 3.006 1.00 0.00 O ATOM 825 OE2 GLU A 55 -3.551 -4.982 4.599 1.00 0.00 O ATOM 0 H GLU A 55 -3.887 -9.769 3.253 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.704 -7.582 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.282 -8.039 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.136 -6.516 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.583 -7.468 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.103 -7.602 3.588 1.00 0.00 H new ATOM 832 N ASN A 56 -5.727 -9.402 0.744 1.00 0.00 N ATOM 833 CA ASN A 56 -6.488 -9.705 -0.456 1.00 0.00 C ATOM 834 C ASN A 56 -6.931 -11.168 -0.418 1.00 0.00 C ATOM 835 O ASN A 56 -6.370 -12.010 -1.118 1.00 0.00 O ATOM 836 CB ASN A 56 -5.638 -9.501 -1.712 1.00 0.00 C ATOM 837 CG ASN A 56 -6.521 -9.269 -2.940 1.00 0.00 C ATOM 838 OD1 ASN A 56 -7.739 -9.309 -2.877 1.00 0.00 O ATOM 839 ND2 ASN A 56 -5.841 -9.025 -4.057 1.00 0.00 N ATOM 0 H ASN A 56 -4.944 -10.031 0.923 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.348 -9.036 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.973 -8.649 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.006 -10.374 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.339 -8.857 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.821 -9.006 -4.039 1.00 0.00 H new ATOM 846 N PRO A 57 -7.961 -11.435 0.429 1.00 0.00 N ATOM 847 CA PRO A 57 -8.487 -12.782 0.568 1.00 0.00 C ATOM 848 C PRO A 57 -9.339 -13.166 -0.643 1.00 0.00 C ATOM 849 O PRO A 57 -8.998 -14.091 -1.378 1.00 0.00 O ATOM 850 CB PRO A 57 -9.276 -12.765 1.868 1.00 0.00 C ATOM 851 CG PRO A 57 -9.550 -11.300 2.169 1.00 0.00 C ATOM 852 CD PRO A 57 -8.650 -10.464 1.274 1.00 0.00 C ATOM 0 HA PRO A 57 -7.702 -13.538 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.206 -13.324 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.710 -13.230 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.598 -11.062 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.353 -11.083 3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.229 -9.760 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.943 -9.878 1.861 1.00 0.00 H new ATOM 860 N ARG A 58 -10.431 -12.436 -0.814 1.00 0.00 N ATOM 861 CA ARG A 58 -11.335 -12.688 -1.923 1.00 0.00 C ATOM 862 C ARG A 58 -11.643 -11.385 -2.664 1.00 0.00 C ATOM 863 O ARG A 58 -11.334 -11.251 -3.847 1.00 0.00 O ATOM 864 CB ARG A 58 -12.644 -13.312 -1.436 1.00 0.00 C ATOM 865 CG ARG A 58 -12.715 -14.795 -1.805 1.00 0.00 C ATOM 866 CD ARG A 58 -13.871 -15.066 -2.769 1.00 0.00 C ATOM 867 NE ARG A 58 -13.668 -16.363 -3.452 1.00 0.00 N ATOM 868 CZ ARG A 58 -13.849 -17.555 -2.869 1.00 0.00 C ATOM 869 NH1 ARG A 58 -14.238 -17.623 -1.589 1.00 0.00 N ATOM 870 NH2 ARG A 58 -13.641 -18.681 -3.566 1.00 0.00 N ATOM 0 H ARG A 58 -10.710 -11.669 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.843 -13.387 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.725 -13.198 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.489 -12.783 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.775 -15.105 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.842 -15.392 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.815 -15.077 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.937 -14.265 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.372 -16.348 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.396 -16.767 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.376 -18.531 -1.145 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.345 -18.630 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.779 -19.589 -3.122 1.00 0.00 H new ATOM 884 N GLY A 59 -12.248 -10.457 -1.936 1.00 0.00 N ATOM 885 CA GLY A 59 -12.601 -9.169 -2.509 1.00 0.00 C ATOM 886 C GLY A 59 -12.590 -8.073 -1.442 1.00 0.00 C ATOM 887 O GLY A 59 -12.852 -8.340 -0.270 1.00 0.00 O ATOM 0 H GLY A 59 -12.502 -10.572 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.899 -8.915 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.589 -9.228 -2.965 1.00 0.00 H new ATOM 891 N LYS A 60 -12.285 -6.863 -1.886 1.00 0.00 N ATOM 892 CA LYS A 60 -12.237 -5.725 -0.984 1.00 0.00 C ATOM 893 C LYS A 60 -11.092 -5.918 0.013 1.00 0.00 C ATOM 894 O LYS A 60 -10.643 -7.041 0.237 1.00 0.00 O ATOM 895 CB LYS A 60 -13.599 -5.507 -0.322 1.00 0.00 C ATOM 896 CG LYS A 60 -13.881 -4.017 -0.125 1.00 0.00 C ATOM 897 CD LYS A 60 -14.815 -3.788 1.065 1.00 0.00 C ATOM 898 CE LYS A 60 -14.086 -3.071 2.204 1.00 0.00 C ATOM 899 NZ LYS A 60 -13.703 -4.034 3.261 1.00 0.00 N ATOM 0 H LYS A 60 -12.069 -6.646 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.028 -4.809 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.382 -5.950 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.625 -6.016 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.944 -3.484 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.330 -3.606 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.674 -3.196 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.199 -4.744 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.197 -2.573 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.728 -2.297 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.292 -3.877 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.846 -5.004 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.702 -3.898 3.508 1.00 0.00 H new ATOM 913 N GLY A 61 -10.654 -4.806 0.585 1.00 0.00 N ATOM 914 CA GLY A 61 -9.571 -4.839 1.553 1.00 0.00 C ATOM 915 C GLY A 61 -9.634 -3.629 2.488 1.00 0.00 C ATOM 916 O GLY A 61 -10.718 -3.144 2.808 1.00 0.00 O ATOM 0 H GLY A 61 -11.030 -3.877 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.628 -5.758 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.613 -4.851 1.032 1.00 0.00 H new ATOM 920 N SER A 62 -8.459 -3.178 2.899 1.00 0.00 N ATOM 921 CA SER A 62 -8.367 -2.034 3.791 1.00 0.00 C ATOM 922 C SER A 62 -7.130 -1.201 3.448 1.00 0.00 C ATOM 923 O SER A 62 -6.140 -1.731 2.946 1.00 0.00 O ATOM 924 CB SER A 62 -8.318 -2.480 5.254 1.00 0.00 C ATOM 925 OG SER A 62 -9.401 -1.946 6.011 1.00 0.00 O ATOM 0 H SER A 62 -7.562 -3.583 2.631 1.00 0.00 H new ATOM 0 HA SER A 62 -9.258 -1.421 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.344 -3.569 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.374 -2.164 5.698 1.00 0.00 H new ATOM 0 HG SER A 62 -9.335 -2.255 6.939 1.00 0.00 H new ATOM 931 N GLN A 63 -7.227 0.089 3.734 1.00 0.00 N ATOM 932 CA GLN A 63 -6.128 1.000 3.462 1.00 0.00 C ATOM 933 C GLN A 63 -5.867 1.082 1.956 1.00 0.00 C ATOM 934 O GLN A 63 -5.184 0.227 1.394 1.00 0.00 O ATOM 935 CB GLN A 63 -4.866 0.577 4.215 1.00 0.00 C ATOM 936 CG GLN A 63 -3.912 1.760 4.394 1.00 0.00 C ATOM 937 CD GLN A 63 -3.771 2.133 5.871 1.00 0.00 C ATOM 938 OE1 GLN A 63 -2.851 1.720 6.557 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.732 2.935 6.320 1.00 0.00 N ATOM 0 H GLN A 63 -8.049 0.525 4.151 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.407 1.992 3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.138 0.174 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.363 -0.221 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.934 1.508 3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.282 2.618 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.474 3.244 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.728 3.241 7.293 1.00 0.00 H new ATOM 948 N LYS A 64 -6.424 2.118 1.347 1.00 0.00 N ATOM 949 CA LYS A 64 -6.259 2.323 -0.082 1.00 0.00 C ATOM 950 C LYS A 64 -6.095 3.818 -0.363 1.00 0.00 C ATOM 951 O LYS A 64 -6.431 4.651 0.476 1.00 0.00 O ATOM 952 CB LYS A 64 -7.412 1.675 -0.852 1.00 0.00 C ATOM 953 CG LYS A 64 -7.073 0.234 -1.238 1.00 0.00 C ATOM 954 CD LYS A 64 -8.222 -0.713 -0.885 1.00 0.00 C ATOM 955 CE LYS A 64 -8.055 -2.063 -1.586 1.00 0.00 C ATOM 956 NZ LYS A 64 -9.035 -2.200 -2.687 1.00 0.00 N ATOM 0 H LYS A 64 -6.990 2.825 1.817 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.353 1.831 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.315 1.689 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.626 2.255 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.867 0.179 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.166 -0.081 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.257 -0.862 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.171 -0.263 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.042 -2.152 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.191 -2.872 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.908 -3.121 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.999 -2.136 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.887 -1.439 -3.380 1.00 0.00 H new ATOM 970 N HIS A 65 -5.579 4.111 -1.548 1.00 0.00 N ATOM 971 CA HIS A 65 -5.366 5.491 -1.950 1.00 0.00 C ATOM 972 C HIS A 65 -4.987 5.541 -3.432 1.00 0.00 C ATOM 973 O HIS A 65 -4.372 4.611 -3.951 1.00 0.00 O ATOM 974 CB HIS A 65 -4.329 6.166 -1.050 1.00 0.00 C ATOM 975 CG HIS A 65 -4.277 7.668 -1.192 1.00 0.00 C ATOM 976 ND1 HIS A 65 -3.121 8.401 -0.987 1.00 0.00 N ATOM 977 CD2 HIS A 65 -5.250 8.566 -1.520 1.00 0.00 C ATOM 978 CE1 HIS A 65 -3.397 9.682 -1.185 1.00 0.00 C ATOM 979 NE2 HIS A 65 -4.717 9.782 -1.515 1.00 0.00 N ATOM 0 H HIS A 65 -5.302 3.417 -2.242 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.290 6.056 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.547 5.917 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.345 5.756 -1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.279 8.328 -1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.700 10.502 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.213 10.649 -1.724 1.00 0.00 H new ATOM 987 N VAL A 66 -5.370 6.636 -4.071 1.00 0.00 N ATOM 988 CA VAL A 66 -5.079 6.820 -5.482 1.00 0.00 C ATOM 989 C VAL A 66 -4.523 8.228 -5.705 1.00 0.00 C ATOM 990 O VAL A 66 -5.095 9.207 -5.230 1.00 0.00 O ATOM 991 CB VAL A 66 -6.329 6.532 -6.317 1.00 0.00 C ATOM 992 CG1 VAL A 66 -7.476 7.467 -5.926 1.00 0.00 C ATOM 993 CG2 VAL A 66 -6.024 6.633 -7.813 1.00 0.00 C ATOM 0 H VAL A 66 -5.880 7.405 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.316 6.114 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.644 5.510 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.352 7.242 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.719 7.325 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.175 8.501 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.929 6.424 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.672 7.638 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.253 5.909 -8.077 1.00 0.00 H new ATOM 1003 N THR A 67 -3.413 8.284 -6.427 1.00 0.00 N ATOM 1004 CA THR A 67 -2.773 9.555 -6.719 1.00 0.00 C ATOM 1005 C THR A 67 -1.741 9.389 -7.836 1.00 0.00 C ATOM 1006 O THR A 67 -0.755 8.673 -7.674 1.00 0.00 O ATOM 1007 CB THR A 67 -2.177 10.094 -5.416 1.00 0.00 C ATOM 1008 OG1 THR A 67 -1.633 11.359 -5.781 1.00 0.00 O ATOM 1009 CG2 THR A 67 -0.963 9.287 -4.950 1.00 0.00 C ATOM 0 H THR A 67 -2.941 7.469 -6.818 1.00 0.00 H new ATOM 0 HA THR A 67 -3.493 10.284 -7.091 1.00 0.00 H new ATOM 0 HB THR A 67 -2.939 10.086 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.227 11.780 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.579 9.711 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.258 8.251 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.187 9.323 -5.714 1.00 0.00 H new ATOM 1017 N SER A 68 -2.005 10.063 -8.946 1.00 0.00 N ATOM 1018 CA SER A 68 -1.112 10.000 -10.090 1.00 0.00 C ATOM 1019 C SER A 68 -0.350 11.319 -10.233 1.00 0.00 C ATOM 1020 O SER A 68 -0.887 12.386 -9.940 1.00 0.00 O ATOM 1021 CB SER A 68 -1.883 9.691 -11.375 1.00 0.00 C ATOM 1022 OG SER A 68 -1.091 9.910 -12.539 1.00 0.00 O ATOM 0 H SER A 68 -2.825 10.655 -9.077 1.00 0.00 H new ATOM 0 HA SER A 68 -0.399 9.192 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.220 8.654 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.775 10.315 -11.421 1.00 0.00 H new ATOM 0 HG SER A 68 -1.618 9.700 -13.338 1.00 0.00 H new ATOM 1028 N GLY A 69 0.891 11.203 -10.683 1.00 0.00 N ATOM 1029 CA GLY A 69 1.733 12.373 -10.868 1.00 0.00 C ATOM 1030 C GLY A 69 3.173 12.086 -10.438 1.00 0.00 C ATOM 1031 O GLY A 69 3.533 12.297 -9.281 1.00 0.00 O ATOM 0 H GLY A 69 1.334 10.317 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.716 12.676 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.336 13.206 -10.289 1.00 0.00 H new ATOM 1035 N PRO A 70 3.979 11.596 -11.418 1.00 0.00 N ATOM 1036 CA PRO A 70 5.371 11.278 -11.153 1.00 0.00 C ATOM 1037 C PRO A 70 6.214 12.551 -11.048 1.00 0.00 C ATOM 1038 O PRO A 70 5.721 13.648 -11.304 1.00 0.00 O ATOM 1039 CB PRO A 70 5.795 10.378 -12.301 1.00 0.00 C ATOM 1040 CG PRO A 70 4.773 10.600 -13.404 1.00 0.00 C ATOM 1041 CD PRO A 70 3.587 11.332 -12.799 1.00 0.00 C ATOM 0 HA PRO A 70 5.512 10.774 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.799 10.628 -12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.815 9.333 -11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.208 11.183 -14.216 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.457 9.647 -13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.378 12.258 -13.335 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.682 10.726 -12.845 1.00 0.00 H new ATOM 1049 N SER A 71 7.470 12.361 -10.672 1.00 0.00 N ATOM 1050 CA SER A 71 8.386 13.481 -10.531 1.00 0.00 C ATOM 1051 C SER A 71 9.513 13.367 -11.559 1.00 0.00 C ATOM 1052 O SER A 71 9.958 12.266 -11.878 1.00 0.00 O ATOM 1053 CB SER A 71 8.963 13.545 -9.115 1.00 0.00 C ATOM 1054 OG SER A 71 9.514 14.825 -8.821 1.00 0.00 O ATOM 0 H SER A 71 7.875 11.449 -10.461 1.00 0.00 H new ATOM 0 HA SER A 71 7.831 14.402 -10.710 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.180 13.313 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.735 12.784 -9.003 1.00 0.00 H new ATOM 0 HG SER A 71 9.870 14.826 -7.908 1.00 0.00 H new ATOM 1060 N SER A 72 9.943 14.521 -12.048 1.00 0.00 N ATOM 1061 CA SER A 72 11.010 14.565 -13.033 1.00 0.00 C ATOM 1062 C SER A 72 12.228 13.794 -12.521 1.00 0.00 C ATOM 1063 O SER A 72 12.332 13.512 -11.328 1.00 0.00 O ATOM 1064 CB SER A 72 11.396 16.008 -13.363 1.00 0.00 C ATOM 1065 OG SER A 72 10.810 16.452 -14.584 1.00 0.00 O ATOM 0 H SER A 72 9.572 15.433 -11.780 1.00 0.00 H new ATOM 0 HA SER A 72 10.649 14.095 -13.948 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.080 16.662 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.481 16.086 -13.432 1.00 0.00 H new ATOM 0 HG SER A 72 11.079 17.378 -14.758 1.00 0.00 H new ATOM 1071 N GLY A 73 13.119 13.474 -13.448 1.00 0.00 N ATOM 1072 CA GLY A 73 14.325 12.741 -13.105 1.00 0.00 C ATOM 1073 C GLY A 73 15.454 13.049 -14.091 1.00 0.00 C ATOM 1074 O GLY A 73 16.630 12.917 -13.756 1.00 0.00 O ATOM 0 H GLY A 73 13.029 13.709 -14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.639 13.003 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.117 11.671 -13.107 1.00 0.00 H new TER 1078 GLY A 73