USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -3:sc= 1.08 USER MOD Set 1.2: A 30 ASN : amide:sc= -0.416 K(o=0.66,f=-4.2!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ -156:sc= -0.205 (180deg=-0.635) USER MOD Set 2.2: A 19 GLN : amide:sc= -4.86! C(o=-5.1!,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.07! C(o=-2.1!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= -0.034 (180deg=-1.07) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 35 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.31) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.2) USER MOD Single : A 42 THR OG1 : rot -5:sc= -0.301 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -130:sc= 0.253 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.00041) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.97 K(o=-2,f=-3.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.045 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.080 26.620 -18.186 1.00 0.00 N ATOM 2 CA GLY A 1 13.363 25.496 -18.761 1.00 0.00 C ATOM 3 C GLY A 1 13.626 24.200 -18.019 1.00 0.00 C ATOM 4 O GLY A 1 14.708 23.623 -18.130 1.00 0.00 O ATOM 0 H1 GLY A 1 13.867 27.482 -18.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.785 26.751 -17.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.103 26.433 -18.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.294 25.707 -18.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.654 25.379 -19.805 1.00 0.00 H new ATOM 8 N SER A 2 12.636 23.743 -17.259 1.00 0.00 N ATOM 9 CA SER A 2 12.769 22.510 -16.491 1.00 0.00 C ATOM 10 C SER A 2 11.431 21.781 -16.402 1.00 0.00 C ATOM 11 O SER A 2 10.411 22.270 -16.885 1.00 0.00 O ATOM 12 CB SER A 2 13.293 22.812 -15.087 1.00 0.00 C ATOM 13 OG SER A 2 12.478 23.771 -14.434 1.00 0.00 O ATOM 0 H SER A 2 11.733 24.207 -17.158 1.00 0.00 H new ATOM 0 HA SER A 2 13.482 21.865 -17.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.321 21.894 -14.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.317 23.182 -15.149 1.00 0.00 H new ATOM 0 HG SER A 2 12.833 23.946 -13.537 1.00 0.00 H new ATOM 19 N SER A 3 11.446 20.606 -15.779 1.00 0.00 N ATOM 20 CA SER A 3 10.237 19.806 -15.629 1.00 0.00 C ATOM 21 C SER A 3 9.934 19.551 -14.155 1.00 0.00 C ATOM 22 O SER A 3 10.700 19.944 -13.276 1.00 0.00 O ATOM 23 CB SER A 3 10.384 18.475 -16.369 1.00 0.00 C ATOM 24 OG SER A 3 11.399 17.676 -15.784 1.00 0.00 O ATOM 0 H SER A 3 12.282 20.188 -15.371 1.00 0.00 H new ATOM 0 HA SER A 3 9.407 20.364 -16.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.436 17.937 -16.348 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.622 18.662 -17.416 1.00 0.00 H new ATOM 0 HG SER A 3 11.472 16.830 -16.274 1.00 0.00 H new ATOM 30 N GLY A 4 8.811 18.888 -13.894 1.00 0.00 N ATOM 31 CA GLY A 4 8.427 18.591 -12.526 1.00 0.00 C ATOM 32 C GLY A 4 7.362 17.515 -12.445 1.00 0.00 C ATOM 33 O GLY A 4 6.780 17.129 -13.458 1.00 0.00 O ATOM 0 H GLY A 4 8.161 18.552 -14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.306 18.271 -11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.059 19.500 -12.050 1.00 0.00 H new ATOM 37 N SER A 5 7.106 17.029 -11.234 1.00 0.00 N ATOM 38 CA SER A 5 6.108 15.987 -11.025 1.00 0.00 C ATOM 39 C SER A 5 5.078 16.422 -9.987 1.00 0.00 C ATOM 40 O SER A 5 5.392 17.169 -9.060 1.00 0.00 O ATOM 41 CB SER A 5 6.781 14.688 -10.578 1.00 0.00 C ATOM 42 OG SER A 5 5.880 13.597 -10.641 1.00 0.00 O ATOM 0 H SER A 5 7.576 17.340 -10.384 1.00 0.00 H new ATOM 0 HA SER A 5 5.595 15.815 -11.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.645 14.486 -11.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.151 14.799 -9.559 1.00 0.00 H new ATOM 0 HG SER A 5 6.336 12.779 -10.352 1.00 0.00 H new ATOM 48 N SER A 6 3.847 15.948 -10.149 1.00 0.00 N ATOM 49 CA SER A 6 2.769 16.291 -9.229 1.00 0.00 C ATOM 50 C SER A 6 2.689 15.284 -8.086 1.00 0.00 C ATOM 51 O SER A 6 2.964 14.099 -8.267 1.00 0.00 O ATOM 52 CB SER A 6 1.433 16.342 -9.972 1.00 0.00 C ATOM 53 OG SER A 6 1.121 15.085 -10.548 1.00 0.00 O ATOM 0 H SER A 6 3.571 15.326 -10.909 1.00 0.00 H new ATOM 0 HA SER A 6 2.982 17.274 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.641 16.636 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.476 17.102 -10.752 1.00 0.00 H new ATOM 0 HG SER A 6 0.262 15.144 -11.016 1.00 0.00 H new ATOM 59 N GLY A 7 2.313 15.766 -6.905 1.00 0.00 N ATOM 60 CA GLY A 7 2.204 14.897 -5.749 1.00 0.00 C ATOM 61 C GLY A 7 2.787 15.520 -4.497 1.00 0.00 C ATOM 62 O GLY A 7 4.001 15.695 -4.389 1.00 0.00 O ATOM 0 H GLY A 7 2.082 16.744 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.155 14.657 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.716 13.957 -5.956 1.00 0.00 H new ATOM 66 N ALA A 8 1.921 15.860 -3.548 1.00 0.00 N ATOM 67 CA ALA A 8 2.358 16.469 -2.297 1.00 0.00 C ATOM 68 C ALA A 8 1.478 16.023 -1.134 1.00 0.00 C ATOM 69 O ALA A 8 0.275 16.283 -1.117 1.00 0.00 O ATOM 70 CB ALA A 8 2.348 17.985 -2.417 1.00 0.00 C ATOM 0 H ALA A 8 0.913 15.724 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 8 3.377 16.138 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.676 18.427 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.023 18.291 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.338 18.325 -2.645 1.00 0.00 H new ATOM 76 N SER A 9 2.087 15.349 -0.163 1.00 0.00 N ATOM 77 CA SER A 9 1.358 14.862 1.003 1.00 0.00 C ATOM 78 C SER A 9 1.520 15.817 2.181 1.00 0.00 C ATOM 79 O SER A 9 2.296 16.771 2.119 1.00 0.00 O ATOM 80 CB SER A 9 1.848 13.466 1.391 1.00 0.00 C ATOM 81 OG SER A 9 1.144 12.462 0.681 1.00 0.00 O ATOM 0 H SER A 9 3.083 15.128 -0.161 1.00 0.00 H new ATOM 0 HA SER A 9 0.301 14.808 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.915 13.381 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.718 13.317 2.463 1.00 0.00 H new ATOM 0 HG SER A 9 1.477 11.579 0.946 1.00 0.00 H new ATOM 87 N ILE A 10 0.782 15.553 3.254 1.00 0.00 N ATOM 88 CA ILE A 10 0.843 16.386 4.448 1.00 0.00 C ATOM 89 C ILE A 10 1.727 15.752 5.517 1.00 0.00 C ATOM 90 O ILE A 10 1.358 15.697 6.690 1.00 0.00 O ATOM 91 CB ILE A 10 -0.558 16.632 5.037 1.00 0.00 C ATOM 92 CG1 ILE A 10 -1.209 15.305 5.433 1.00 0.00 C ATOM 93 CG2 ILE A 10 -1.429 17.378 4.036 1.00 0.00 C ATOM 94 CD1 ILE A 10 -2.448 15.471 6.284 1.00 0.00 C ATOM 0 H ILE A 10 0.134 14.768 3.321 1.00 0.00 H new ATOM 0 HA ILE A 10 1.272 17.340 4.143 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.458 17.247 5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.470 14.753 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.483 14.701 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.416 17.545 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.970 18.338 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.525 16.786 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.857 14.490 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.190 15.995 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.192 16.048 5.735 1.00 0.00 H new ATOM 106 N TYR A 11 2.896 15.275 5.104 1.00 0.00 N ATOM 107 CA TYR A 11 3.832 14.643 6.026 1.00 0.00 C ATOM 108 C TYR A 11 4.087 15.534 7.239 1.00 0.00 C ATOM 109 O TYR A 11 4.147 15.057 8.372 1.00 0.00 O ATOM 110 CB TYR A 11 5.153 14.339 5.316 1.00 0.00 C ATOM 111 CG TYR A 11 5.912 15.577 4.895 1.00 0.00 C ATOM 112 CD1 TYR A 11 5.523 16.310 3.781 1.00 0.00 C ATOM 113 CD2 TYR A 11 7.021 16.012 5.610 1.00 0.00 C ATOM 114 CE1 TYR A 11 6.215 17.440 3.392 1.00 0.00 C ATOM 115 CE2 TYR A 11 7.718 17.143 5.230 1.00 0.00 C ATOM 116 CZ TYR A 11 7.311 17.853 4.120 1.00 0.00 C ATOM 117 OH TYR A 11 8.004 18.979 3.737 1.00 0.00 O ATOM 0 H TYR A 11 3.218 15.314 4.137 1.00 0.00 H new ATOM 0 HA TYR A 11 3.389 13.709 6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.783 13.744 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.951 13.730 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.664 15.991 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.344 15.456 6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.900 17.997 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.576 17.469 5.799 1.00 0.00 H new ATOM 0 HH TYR A 11 8.748 19.132 4.357 1.00 0.00 H new ATOM 127 N LYS A 12 4.236 16.830 6.991 1.00 0.00 N ATOM 128 CA LYS A 12 4.483 17.790 8.060 1.00 0.00 C ATOM 129 C LYS A 12 3.566 17.526 9.251 1.00 0.00 C ATOM 130 O LYS A 12 3.893 17.870 10.385 1.00 0.00 O ATOM 131 CB LYS A 12 4.275 19.218 7.550 1.00 0.00 C ATOM 132 CG LYS A 12 2.816 19.587 7.354 1.00 0.00 C ATOM 133 CD LYS A 12 2.338 19.247 5.952 1.00 0.00 C ATOM 134 CE LYS A 12 2.879 20.227 4.924 1.00 0.00 C ATOM 135 NZ LYS A 12 2.814 19.675 3.543 1.00 0.00 N ATOM 0 H LYS A 12 4.190 17.240 6.058 1.00 0.00 H new ATOM 0 HA LYS A 12 5.517 17.674 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.726 19.916 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.802 19.337 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.205 19.059 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.682 20.653 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.655 18.236 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.248 19.256 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.309 21.155 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.912 20.475 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.192 20.374 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.379 18.803 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.825 19.462 3.301 1.00 0.00 H new ATOM 149 N ASN A 13 2.419 16.913 8.982 1.00 0.00 N ATOM 150 CA ASN A 13 1.455 16.602 10.033 1.00 0.00 C ATOM 151 C ASN A 13 1.158 15.106 10.073 1.00 0.00 C ATOM 152 O ASN A 13 0.649 14.537 9.107 1.00 0.00 O ATOM 153 CB ASN A 13 0.159 17.385 9.813 1.00 0.00 C ATOM 154 CG ASN A 13 0.401 18.875 9.669 1.00 0.00 C ATOM 155 OD1 ASN A 13 -0.046 19.498 8.706 1.00 0.00 O ATOM 156 ND2 ASN A 13 1.111 19.453 10.630 1.00 0.00 N ATOM 0 H ASN A 13 2.133 16.622 8.047 1.00 0.00 H new ATOM 0 HA ASN A 13 1.890 16.894 10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.340 17.013 8.918 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.516 17.209 10.651 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.306 20.453 10.589 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.462 18.897 11.410 1.00 0.00 H new ATOM 163 N LYS A 14 1.480 14.474 11.197 1.00 0.00 N ATOM 164 CA LYS A 14 1.247 13.045 11.366 1.00 0.00 C ATOM 165 C LYS A 14 -0.230 12.710 11.185 1.00 0.00 C ATOM 166 O LYS A 14 -1.106 13.471 11.597 1.00 0.00 O ATOM 167 CB LYS A 14 1.718 12.590 12.749 1.00 0.00 C ATOM 168 CG LYS A 14 3.172 12.154 12.783 1.00 0.00 C ATOM 169 CD LYS A 14 4.113 13.347 12.775 1.00 0.00 C ATOM 170 CE LYS A 14 4.471 13.765 11.358 1.00 0.00 C ATOM 171 NZ LYS A 14 5.828 14.375 11.285 1.00 0.00 N ATOM 0 H LYS A 14 1.904 14.930 12.005 1.00 0.00 H new ATOM 0 HA LYS A 14 1.818 12.517 10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.575 13.405 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.091 11.763 13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.352 11.554 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.382 11.518 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.646 14.183 13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.022 13.098 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.428 12.896 10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.732 14.478 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.034 14.646 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.862 15.219 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.536 13.686 11.610 1.00 0.00 H new ATOM 185 N LYS A 15 -0.501 11.565 10.566 1.00 0.00 N ATOM 186 CA LYS A 15 -1.872 11.127 10.333 1.00 0.00 C ATOM 187 C LYS A 15 -2.419 10.382 11.546 1.00 0.00 C ATOM 188 O LYS A 15 -1.710 9.597 12.175 1.00 0.00 O ATOM 189 CB LYS A 15 -1.937 10.227 9.096 1.00 0.00 C ATOM 190 CG LYS A 15 -3.266 10.297 8.363 1.00 0.00 C ATOM 191 CD LYS A 15 -3.099 10.010 6.880 1.00 0.00 C ATOM 192 CE LYS A 15 -4.361 9.405 6.284 1.00 0.00 C ATOM 193 NZ LYS A 15 -4.663 8.067 6.866 1.00 0.00 N ATOM 0 H LYS A 15 0.211 10.924 10.217 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.487 12.011 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.138 10.508 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.751 9.196 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.961 9.579 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.705 11.286 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.854 10.933 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.262 9.327 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.203 10.075 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.245 9.314 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.243 7.521 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.774 7.559 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.183 8.186 7.759 1.00 0.00 H new ATOM 207 N SER A 16 -3.684 10.632 11.867 1.00 0.00 N ATOM 208 CA SER A 16 -4.325 9.987 13.007 1.00 0.00 C ATOM 209 C SER A 16 -4.304 8.469 12.855 1.00 0.00 C ATOM 210 O SER A 16 -4.576 7.938 11.777 1.00 0.00 O ATOM 211 CB SER A 16 -5.767 10.476 13.152 1.00 0.00 C ATOM 212 OG SER A 16 -6.493 9.663 14.058 1.00 0.00 O ATOM 0 H SER A 16 -4.285 11.276 11.354 1.00 0.00 H new ATOM 0 HA SER A 16 -3.767 10.253 13.905 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.771 11.508 13.502 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.257 10.468 12.178 1.00 0.00 H new ATOM 0 HG SER A 16 -7.411 9.998 14.134 1.00 0.00 H new ATOM 218 N HIS A 17 -3.979 7.777 13.941 1.00 0.00 N ATOM 219 CA HIS A 17 -3.923 6.318 13.930 1.00 0.00 C ATOM 220 C HIS A 17 -5.306 5.719 14.163 1.00 0.00 C ATOM 221 O HIS A 17 -5.667 4.713 13.555 1.00 0.00 O ATOM 222 CB HIS A 17 -2.949 5.816 14.996 1.00 0.00 C ATOM 223 CG HIS A 17 -2.910 4.324 15.116 1.00 0.00 C ATOM 224 ND1 HIS A 17 -3.160 3.657 16.297 1.00 0.00 N ATOM 225 CD2 HIS A 17 -2.649 3.368 14.194 1.00 0.00 C ATOM 226 CE1 HIS A 17 -3.053 2.355 16.096 1.00 0.00 C ATOM 227 NE2 HIS A 17 -2.744 2.154 14.828 1.00 0.00 N ATOM 0 H HIS A 17 -3.750 8.201 14.840 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.571 6.000 12.949 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.948 6.180 14.762 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.226 6.243 15.960 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.410 3.530 13.153 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.194 1.587 16.842 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.599 1.244 14.390 1.00 0.00 H new ATOM 236 N GLU A 18 -6.074 6.345 15.050 1.00 0.00 N ATOM 237 CA GLU A 18 -7.418 5.872 15.365 1.00 0.00 C ATOM 238 C GLU A 18 -8.176 5.502 14.094 1.00 0.00 C ATOM 239 O GLU A 18 -8.589 4.356 13.917 1.00 0.00 O ATOM 240 CB GLU A 18 -8.190 6.941 16.140 1.00 0.00 C ATOM 241 CG GLU A 18 -9.304 6.378 17.008 1.00 0.00 C ATOM 242 CD GLU A 18 -10.105 7.461 17.704 1.00 0.00 C ATOM 243 OE1 GLU A 18 -10.953 8.092 17.039 1.00 0.00 O ATOM 244 OE2 GLU A 18 -9.885 7.676 18.914 1.00 0.00 O ATOM 0 H GLU A 18 -5.789 7.180 15.563 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.326 4.980 15.985 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.494 7.494 16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.616 7.653 15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.972 5.777 16.391 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.875 5.711 17.756 1.00 0.00 H new ATOM 251 N GLN A 19 -8.355 6.481 13.213 1.00 0.00 N ATOM 252 CA GLN A 19 -9.066 6.259 11.958 1.00 0.00 C ATOM 253 C GLN A 19 -8.273 5.334 11.040 1.00 0.00 C ATOM 254 O GLN A 19 -8.843 4.642 10.196 1.00 0.00 O ATOM 255 CB GLN A 19 -9.330 7.591 11.255 1.00 0.00 C ATOM 256 CG GLN A 19 -8.072 8.409 11.008 1.00 0.00 C ATOM 257 CD GLN A 19 -7.344 7.995 9.744 1.00 0.00 C ATOM 258 OE1 GLN A 19 -6.373 7.239 9.793 1.00 0.00 O ATOM 259 NE2 GLN A 19 -7.810 8.490 8.605 1.00 0.00 N ATOM 0 H GLN A 19 -8.018 7.435 13.344 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.019 5.783 12.188 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.821 7.398 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.023 8.179 11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.337 9.464 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.401 8.302 11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.618 9.113 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.361 8.248 7.722 1.00 0.00 H new ATOM 268 N LEU A 20 -6.956 5.326 11.212 1.00 0.00 N ATOM 269 CA LEU A 20 -6.083 4.486 10.398 1.00 0.00 C ATOM 270 C LEU A 20 -6.462 3.014 10.536 1.00 0.00 C ATOM 271 O LEU A 20 -6.771 2.348 9.548 1.00 0.00 O ATOM 272 CB LEU A 20 -4.622 4.688 10.805 1.00 0.00 C ATOM 273 CG LEU A 20 -3.577 4.350 9.742 1.00 0.00 C ATOM 274 CD1 LEU A 20 -3.444 2.844 9.583 1.00 0.00 C ATOM 275 CD2 LEU A 20 -3.938 4.997 8.413 1.00 0.00 C ATOM 0 H LEU A 20 -6.469 5.891 11.907 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.207 4.779 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.488 5.729 11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.424 4.079 11.687 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.616 4.747 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.696 2.623 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.138 2.404 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.403 2.424 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.183 4.745 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.910 4.631 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.981 6.079 8.535 1.00 0.00 H new ATOM 287 N SER A 21 -6.436 2.514 11.767 1.00 0.00 N ATOM 288 CA SER A 21 -6.774 1.122 12.034 1.00 0.00 C ATOM 289 C SER A 21 -8.041 0.718 11.287 1.00 0.00 C ATOM 290 O SER A 21 -8.112 -0.363 10.701 1.00 0.00 O ATOM 291 CB SER A 21 -6.963 0.899 13.536 1.00 0.00 C ATOM 292 OG SER A 21 -7.229 -0.463 13.821 1.00 0.00 O ATOM 0 H SER A 21 -6.184 3.053 12.596 1.00 0.00 H new ATOM 0 HA SER A 21 -5.950 0.501 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.067 1.217 14.069 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.785 1.517 13.898 1.00 0.00 H new ATOM 0 HG SER A 21 -7.344 -0.579 14.787 1.00 0.00 H new ATOM 298 N ALA A 22 -9.040 1.594 11.310 1.00 0.00 N ATOM 299 CA ALA A 22 -10.304 1.332 10.633 1.00 0.00 C ATOM 300 C ALA A 22 -10.072 0.870 9.198 1.00 0.00 C ATOM 301 O ALA A 22 -10.402 -0.260 8.838 1.00 0.00 O ATOM 302 CB ALA A 22 -11.183 2.573 10.655 1.00 0.00 C ATOM 0 H ALA A 22 -8.998 2.493 11.791 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.814 0.531 11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.123 2.362 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.385 2.857 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.671 3.391 10.147 1.00 0.00 H new ATOM 308 N LEU A 23 -9.505 1.752 8.382 1.00 0.00 N ATOM 309 CA LEU A 23 -9.230 1.435 6.985 1.00 0.00 C ATOM 310 C LEU A 23 -8.493 0.106 6.863 1.00 0.00 C ATOM 311 O LEU A 23 -8.958 -0.815 6.191 1.00 0.00 O ATOM 312 CB LEU A 23 -8.404 2.552 6.342 1.00 0.00 C ATOM 313 CG LEU A 23 -9.052 3.936 6.315 1.00 0.00 C ATOM 314 CD1 LEU A 23 -7.991 5.023 6.372 1.00 0.00 C ATOM 315 CD2 LEU A 23 -9.918 4.097 5.073 1.00 0.00 C ATOM 0 H LEU A 23 -9.227 2.692 8.664 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.183 1.349 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.456 2.627 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.172 2.261 5.317 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.691 4.034 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.471 6.001 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.414 4.921 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.326 4.927 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.371 5.088 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.302 3.978 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.702 3.340 5.076 1.00 0.00 H new ATOM 327 N LYS A 24 -7.342 0.012 7.519 1.00 0.00 N ATOM 328 CA LYS A 24 -6.540 -1.205 7.488 1.00 0.00 C ATOM 329 C LYS A 24 -7.427 -2.443 7.584 1.00 0.00 C ATOM 330 O LYS A 24 -7.297 -3.375 6.790 1.00 0.00 O ATOM 331 CB LYS A 24 -5.526 -1.202 8.634 1.00 0.00 C ATOM 332 CG LYS A 24 -4.254 -0.435 8.318 1.00 0.00 C ATOM 333 CD LYS A 24 -3.321 -0.384 9.517 1.00 0.00 C ATOM 334 CE LYS A 24 -2.388 -1.585 9.547 1.00 0.00 C ATOM 335 NZ LYS A 24 -3.019 -2.761 10.207 1.00 0.00 N ATOM 0 H LYS A 24 -6.943 0.765 8.079 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.006 -1.234 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.992 -0.768 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.268 -2.231 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.743 -0.906 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.507 0.579 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.734 0.534 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.908 -0.354 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.104 -1.849 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.472 -1.320 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.372 -3.145 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.907 -2.468 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.219 -3.492 9.495 1.00 0.00 H new ATOM 349 N GLY A 25 -8.329 -2.445 8.559 1.00 0.00 N ATOM 350 CA GLY A 25 -9.225 -3.573 8.738 1.00 0.00 C ATOM 351 C GLY A 25 -9.982 -3.920 7.472 1.00 0.00 C ATOM 352 O GLY A 25 -9.898 -5.044 6.979 1.00 0.00 O ATOM 0 H GLY A 25 -8.456 -1.686 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.651 -4.441 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.936 -3.345 9.532 1.00 0.00 H new ATOM 356 N SER A 26 -10.725 -2.952 6.944 1.00 0.00 N ATOM 357 CA SER A 26 -11.504 -3.163 5.730 1.00 0.00 C ATOM 358 C SER A 26 -10.601 -3.559 4.566 1.00 0.00 C ATOM 359 O SER A 26 -10.808 -4.590 3.926 1.00 0.00 O ATOM 360 CB SER A 26 -12.287 -1.896 5.375 1.00 0.00 C ATOM 361 OG SER A 26 -13.133 -2.116 4.260 1.00 0.00 O ATOM 0 H SER A 26 -10.804 -2.014 7.338 1.00 0.00 H new ATOM 0 HA SER A 26 -12.206 -3.976 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.883 -1.581 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.593 -1.085 5.154 1.00 0.00 H new ATOM 0 HG SER A 26 -12.996 -3.025 3.920 1.00 0.00 H new ATOM 367 N PHE A 27 -9.595 -2.732 4.298 1.00 0.00 N ATOM 368 CA PHE A 27 -8.659 -2.995 3.211 1.00 0.00 C ATOM 369 C PHE A 27 -8.310 -4.478 3.141 1.00 0.00 C ATOM 370 O PHE A 27 -8.238 -5.059 2.056 1.00 0.00 O ATOM 371 CB PHE A 27 -7.385 -2.167 3.396 1.00 0.00 C ATOM 372 CG PHE A 27 -6.285 -2.540 2.444 1.00 0.00 C ATOM 373 CD1 PHE A 27 -6.210 -1.957 1.189 1.00 0.00 C ATOM 374 CD2 PHE A 27 -5.326 -3.471 2.804 1.00 0.00 C ATOM 375 CE1 PHE A 27 -5.199 -2.299 0.311 1.00 0.00 C ATOM 376 CE2 PHE A 27 -4.312 -3.817 1.930 1.00 0.00 C ATOM 377 CZ PHE A 27 -4.248 -3.229 0.682 1.00 0.00 C ATOM 0 H PHE A 27 -9.407 -1.875 4.818 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.138 -2.708 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.625 -1.112 3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.027 -2.289 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.950 -1.227 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.370 -3.933 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.153 -1.839 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.571 -4.546 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.456 -3.496 -0.002 1.00 0.00 H new ATOM 387 N CYS A 28 -8.093 -5.084 4.302 1.00 0.00 N ATOM 388 CA CYS A 28 -7.748 -6.500 4.374 1.00 0.00 C ATOM 389 C CYS A 28 -8.956 -7.370 4.040 1.00 0.00 C ATOM 390 O CYS A 28 -8.899 -8.210 3.142 1.00 0.00 O ATOM 391 CB CYS A 28 -7.221 -6.849 5.766 1.00 0.00 C ATOM 392 SG CYS A 28 -6.709 -8.572 5.951 1.00 0.00 S ATOM 0 H CYS A 28 -8.150 -4.617 5.207 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.967 -6.696 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.373 -6.203 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.995 -6.630 6.501 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.277 -8.769 7.161 1.00 0.00 H new ATOM 398 N ARG A 29 -10.046 -7.164 4.770 1.00 0.00 N ATOM 399 CA ARG A 29 -11.267 -7.932 4.555 1.00 0.00 C ATOM 400 C ARG A 29 -11.670 -7.909 3.082 1.00 0.00 C ATOM 401 O ARG A 29 -11.728 -8.949 2.428 1.00 0.00 O ATOM 402 CB ARG A 29 -12.403 -7.377 5.414 1.00 0.00 C ATOM 403 CG ARG A 29 -13.718 -8.118 5.240 1.00 0.00 C ATOM 404 CD ARG A 29 -14.886 -7.322 5.799 1.00 0.00 C ATOM 405 NE ARG A 29 -14.804 -7.175 7.249 1.00 0.00 N ATOM 406 CZ ARG A 29 -15.614 -6.395 7.956 1.00 0.00 C ATOM 407 NH1 ARG A 29 -16.564 -5.696 7.349 1.00 0.00 N ATOM 408 NH2 ARG A 29 -15.477 -6.314 9.273 1.00 0.00 N ATOM 0 H ARG A 29 -10.109 -6.471 5.516 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.073 -8.964 4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.108 -7.420 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.553 -6.326 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.886 -8.318 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.661 -9.084 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.907 -6.336 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.821 -7.818 5.537 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.085 -7.700 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.674 -5.757 6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.185 -5.098 7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.749 -6.851 9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.100 -5.715 9.815 1.00 0.00 H new ATOM 422 N ASN A 30 -11.948 -6.714 2.570 1.00 0.00 N ATOM 423 CA ASN A 30 -12.347 -6.556 1.175 1.00 0.00 C ATOM 424 C ASN A 30 -11.296 -5.773 0.395 1.00 0.00 C ATOM 425 O ASN A 30 -10.951 -4.649 0.756 1.00 0.00 O ATOM 426 CB ASN A 30 -13.699 -5.844 1.089 1.00 0.00 C ATOM 427 CG ASN A 30 -13.647 -4.436 1.647 1.00 0.00 C ATOM 428 OD1 ASN A 30 -12.827 -4.129 2.513 1.00 0.00 O ATOM 429 ND2 ASN A 30 -14.525 -3.570 1.154 1.00 0.00 N ATOM 0 H ASN A 30 -11.905 -5.843 3.098 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.437 -7.548 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.022 -5.808 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.446 -6.421 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.537 -2.608 1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.187 -3.867 0.437 1.00 0.00 H new ATOM 436 N GLN A 31 -10.792 -6.377 -0.677 1.00 0.00 N ATOM 437 CA GLN A 31 -9.781 -5.736 -1.509 1.00 0.00 C ATOM 438 C GLN A 31 -10.096 -4.257 -1.707 1.00 0.00 C ATOM 439 O GLN A 31 -9.238 -3.397 -1.509 1.00 0.00 O ATOM 440 CB GLN A 31 -9.687 -6.436 -2.865 1.00 0.00 C ATOM 441 CG GLN A 31 -8.888 -7.729 -2.829 1.00 0.00 C ATOM 442 CD GLN A 31 -9.407 -8.707 -1.794 1.00 0.00 C ATOM 443 OE1 GLN A 31 -10.569 -9.113 -1.834 1.00 0.00 O ATOM 444 NE2 GLN A 31 -8.546 -9.091 -0.858 1.00 0.00 N ATOM 0 H GLN A 31 -11.067 -7.308 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.821 -5.819 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.694 -6.651 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.230 -5.756 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.918 -8.197 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.844 -7.501 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.592 -8.729 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.839 -9.748 -0.134 1.00 0.00 H new ATOM 453 N PHE A 32 -11.332 -3.968 -2.100 1.00 0.00 N ATOM 454 CA PHE A 32 -11.760 -2.593 -2.327 1.00 0.00 C ATOM 455 C PHE A 32 -13.224 -2.407 -1.936 1.00 0.00 C ATOM 456 O PHE A 32 -14.059 -3.295 -2.117 1.00 0.00 O ATOM 457 CB PHE A 32 -11.560 -2.209 -3.794 1.00 0.00 C ATOM 458 CG PHE A 32 -12.242 -3.140 -4.756 1.00 0.00 C ATOM 459 CD1 PHE A 32 -11.722 -4.400 -5.007 1.00 0.00 C ATOM 460 CD2 PHE A 32 -13.401 -2.755 -5.409 1.00 0.00 C ATOM 461 CE1 PHE A 32 -12.347 -5.258 -5.892 1.00 0.00 C ATOM 462 CE2 PHE A 32 -14.031 -3.610 -6.294 1.00 0.00 C ATOM 463 CZ PHE A 32 -13.504 -4.863 -6.536 1.00 0.00 C ATOM 0 H PHE A 32 -12.055 -4.668 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.149 -1.942 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.936 -1.198 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.493 -2.190 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.819 -4.715 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -13.817 -1.776 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.931 -6.237 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.935 -3.298 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 32 -13.995 -5.533 -7.227 1.00 0.00 H new ATOM 473 N PRO A 33 -13.545 -1.227 -1.387 1.00 0.00 N ATOM 474 CA PRO A 33 -14.907 -0.896 -0.960 1.00 0.00 C ATOM 475 C PRO A 33 -15.857 -0.717 -2.139 1.00 0.00 C ATOM 476 O PRO A 33 -15.471 -0.896 -3.293 1.00 0.00 O ATOM 477 CB PRO A 33 -14.733 0.425 -0.208 1.00 0.00 C ATOM 478 CG PRO A 33 -13.499 1.030 -0.786 1.00 0.00 C ATOM 479 CD PRO A 33 -12.601 -0.123 -1.143 1.00 0.00 C ATOM 0 HA PRO A 33 -15.349 -1.690 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.596 1.076 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.628 0.259 0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.733 1.629 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.016 1.693 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.000 0.094 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.908 -0.358 -0.335 1.00 0.00 H new ATOM 487 N GLY A 34 -17.103 -0.361 -1.841 1.00 0.00 N ATOM 488 CA GLY A 34 -18.089 -0.163 -2.887 1.00 0.00 C ATOM 489 C GLY A 34 -18.821 1.158 -2.752 1.00 0.00 C ATOM 490 O GLY A 34 -18.294 2.206 -3.124 1.00 0.00 O ATOM 0 H GLY A 34 -17.447 -0.206 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.597 -0.204 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.811 -0.979 -2.861 1.00 0.00 H new ATOM 494 N GLN A 35 -20.038 1.106 -2.220 1.00 0.00 N ATOM 495 CA GLN A 35 -20.843 2.308 -2.039 1.00 0.00 C ATOM 496 C GLN A 35 -21.114 2.566 -0.560 1.00 0.00 C ATOM 497 O GLN A 35 -20.794 3.634 -0.037 1.00 0.00 O ATOM 498 CB GLN A 35 -22.166 2.180 -2.797 1.00 0.00 C ATOM 499 CG GLN A 35 -22.014 2.274 -4.306 1.00 0.00 C ATOM 500 CD GLN A 35 -21.658 0.943 -4.940 1.00 0.00 C ATOM 501 OE1 GLN A 35 -22.301 -0.073 -4.681 1.00 0.00 O ATOM 502 NE2 GLN A 35 -20.626 0.944 -5.778 1.00 0.00 N ATOM 0 H GLN A 35 -20.488 0.246 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 35 -20.283 3.153 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -22.628 1.225 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -22.846 2.962 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -22.944 2.641 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -21.241 3.004 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -20.121 1.810 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -20.339 0.078 -6.235 1.00 0.00 H new ATOM 511 N SER A 36 -21.704 1.581 0.108 1.00 0.00 N ATOM 512 CA SER A 36 -22.021 1.702 1.526 1.00 0.00 C ATOM 513 C SER A 36 -20.748 1.789 2.362 1.00 0.00 C ATOM 514 O SER A 36 -20.677 2.550 3.327 1.00 0.00 O ATOM 515 CB SER A 36 -22.865 0.511 1.985 1.00 0.00 C ATOM 516 OG SER A 36 -24.172 0.572 1.439 1.00 0.00 O ATOM 0 H SER A 36 -21.972 0.690 -0.310 1.00 0.00 H new ATOM 0 HA SER A 36 -22.592 2.620 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 36 -22.384 -0.419 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 36 -22.922 0.500 3.073 1.00 0.00 H new ATOM 0 HG SER A 36 -24.691 -0.201 1.746 1.00 0.00 H new ATOM 522 N GLU A 37 -19.744 1.003 1.985 1.00 0.00 N ATOM 523 CA GLU A 37 -18.473 0.991 2.699 1.00 0.00 C ATOM 524 C GLU A 37 -17.904 2.401 2.821 1.00 0.00 C ATOM 525 O GLU A 37 -17.641 2.884 3.922 1.00 0.00 O ATOM 526 CB GLU A 37 -17.470 0.083 1.986 1.00 0.00 C ATOM 527 CG GLU A 37 -16.444 -0.541 2.917 1.00 0.00 C ATOM 528 CD GLU A 37 -17.078 -1.415 3.982 1.00 0.00 C ATOM 529 OE1 GLU A 37 -17.485 -0.871 5.030 1.00 0.00 O ATOM 530 OE2 GLU A 37 -17.167 -2.642 3.766 1.00 0.00 O ATOM 0 H GLU A 37 -19.787 0.366 1.189 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.653 0.603 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.013 -0.711 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.950 0.660 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.744 -1.137 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.866 0.249 3.397 1.00 0.00 H new ATOM 537 N VAL A 38 -17.716 3.057 1.681 1.00 0.00 N ATOM 538 CA VAL A 38 -17.178 4.413 1.658 1.00 0.00 C ATOM 539 C VAL A 38 -17.974 5.335 2.573 1.00 0.00 C ATOM 540 O VAL A 38 -17.422 5.943 3.490 1.00 0.00 O ATOM 541 CB VAL A 38 -17.181 4.994 0.232 1.00 0.00 C ATOM 542 CG1 VAL A 38 -16.571 6.387 0.222 1.00 0.00 C ATOM 543 CG2 VAL A 38 -16.439 4.071 -0.721 1.00 0.00 C ATOM 0 H VAL A 38 -17.928 2.672 0.761 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.150 4.352 2.015 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.214 5.073 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.582 6.782 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.150 7.043 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.543 6.337 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.451 4.498 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.407 3.957 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.925 3.096 -0.736 1.00 0.00 H new ATOM 553 N GLU A 39 -19.275 5.434 2.318 1.00 0.00 N ATOM 554 CA GLU A 39 -20.148 6.284 3.120 1.00 0.00 C ATOM 555 C GLU A 39 -19.836 6.134 4.607 1.00 0.00 C ATOM 556 O GLU A 39 -19.827 7.114 5.353 1.00 0.00 O ATOM 557 CB GLU A 39 -21.615 5.937 2.858 1.00 0.00 C ATOM 558 CG GLU A 39 -22.123 6.423 1.510 1.00 0.00 C ATOM 559 CD GLU A 39 -23.440 5.781 1.118 1.00 0.00 C ATOM 560 OE1 GLU A 39 -23.640 4.592 1.444 1.00 0.00 O ATOM 561 OE2 GLU A 39 -24.269 6.466 0.485 1.00 0.00 O ATOM 0 H GLU A 39 -19.747 4.937 1.563 1.00 0.00 H new ATOM 0 HA GLU A 39 -19.970 7.320 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.740 4.856 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -22.229 6.372 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -22.246 7.506 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.376 6.208 0.745 1.00 0.00 H new ATOM 568 N HIS A 40 -19.583 4.900 5.031 1.00 0.00 N ATOM 569 CA HIS A 40 -19.271 4.622 6.428 1.00 0.00 C ATOM 570 C HIS A 40 -17.905 5.188 6.804 1.00 0.00 C ATOM 571 O HIS A 40 -17.797 6.044 7.682 1.00 0.00 O ATOM 572 CB HIS A 40 -19.301 3.114 6.689 1.00 0.00 C ATOM 573 CG HIS A 40 -18.782 2.730 8.040 1.00 0.00 C ATOM 574 ND1 HIS A 40 -19.218 3.317 9.209 1.00 0.00 N ATOM 575 CD2 HIS A 40 -17.859 1.810 8.405 1.00 0.00 C ATOM 576 CE1 HIS A 40 -18.585 2.776 10.234 1.00 0.00 C ATOM 577 NE2 HIS A 40 -17.754 1.858 9.773 1.00 0.00 N ATOM 0 H HIS A 40 -19.588 4.078 4.428 1.00 0.00 H new ATOM 0 HA HIS A 40 -20.027 5.106 7.046 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -20.326 2.756 6.587 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -18.710 2.609 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.307 1.159 7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.723 3.039 11.272 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.135 1.279 10.341 1.00 0.00 H new ATOM 586 N LEU A 41 -16.865 4.704 6.134 1.00 0.00 N ATOM 587 CA LEU A 41 -15.506 5.161 6.398 1.00 0.00 C ATOM 588 C LEU A 41 -15.435 6.684 6.406 1.00 0.00 C ATOM 589 O LEU A 41 -14.982 7.291 7.377 1.00 0.00 O ATOM 590 CB LEU A 41 -14.545 4.600 5.347 1.00 0.00 C ATOM 591 CG LEU A 41 -14.076 3.162 5.566 1.00 0.00 C ATOM 592 CD1 LEU A 41 -13.285 2.669 4.365 1.00 0.00 C ATOM 593 CD2 LEU A 41 -13.241 3.060 6.834 1.00 0.00 C ATOM 0 H LEU A 41 -16.937 3.995 5.404 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.212 4.797 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.030 4.658 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -13.667 5.245 5.305 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.955 2.528 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.960 1.643 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.914 2.704 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.413 3.306 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.916 2.029 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.368 3.707 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.840 3.371 7.690 1.00 0.00 H new ATOM 605 N THR A 42 -15.890 7.298 5.318 1.00 0.00 N ATOM 606 CA THR A 42 -15.879 8.751 5.199 1.00 0.00 C ATOM 607 C THR A 42 -16.196 9.413 6.536 1.00 0.00 C ATOM 608 O THR A 42 -15.704 10.502 6.832 1.00 0.00 O ATOM 609 CB THR A 42 -16.893 9.236 4.146 1.00 0.00 C ATOM 610 OG1 THR A 42 -18.188 8.695 4.427 1.00 0.00 O ATOM 611 CG2 THR A 42 -16.458 8.824 2.747 1.00 0.00 C ATOM 0 H THR A 42 -16.271 6.811 4.506 1.00 0.00 H new ATOM 0 HA THR A 42 -14.875 9.036 4.884 1.00 0.00 H new ATOM 0 HB THR A 42 -16.938 10.324 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.126 8.073 5.182 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.189 9.177 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.485 9.262 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.388 7.738 2.693 1.00 0.00 H new ATOM 619 N LYS A 43 -17.020 8.750 7.339 1.00 0.00 N ATOM 620 CA LYS A 43 -17.401 9.273 8.645 1.00 0.00 C ATOM 621 C LYS A 43 -16.401 8.847 9.715 1.00 0.00 C ATOM 622 O LYS A 43 -16.062 9.625 10.607 1.00 0.00 O ATOM 623 CB LYS A 43 -18.804 8.789 9.021 1.00 0.00 C ATOM 624 CG LYS A 43 -19.901 9.366 8.146 1.00 0.00 C ATOM 625 CD LYS A 43 -21.258 8.776 8.491 1.00 0.00 C ATOM 626 CE LYS A 43 -21.910 9.518 9.649 1.00 0.00 C ATOM 627 NZ LYS A 43 -23.128 8.817 10.141 1.00 0.00 N ATOM 0 H LYS A 43 -17.437 7.848 7.108 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.402 10.361 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.833 7.701 8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.004 9.052 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.933 10.449 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.673 9.169 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.908 8.820 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.143 7.724 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.194 9.619 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.175 10.526 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.543 9.354 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.822 8.743 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.872 7.864 10.468 1.00 0.00 H new ATOM 641 N VAL A 44 -15.931 7.607 9.620 1.00 0.00 N ATOM 642 CA VAL A 44 -14.968 7.080 10.578 1.00 0.00 C ATOM 643 C VAL A 44 -13.642 7.828 10.494 1.00 0.00 C ATOM 644 O VAL A 44 -12.923 7.954 11.485 1.00 0.00 O ATOM 645 CB VAL A 44 -14.712 5.578 10.348 1.00 0.00 C ATOM 646 CG1 VAL A 44 -13.949 4.980 11.520 1.00 0.00 C ATOM 647 CG2 VAL A 44 -16.025 4.843 10.124 1.00 0.00 C ATOM 0 H VAL A 44 -16.202 6.949 8.889 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.399 7.221 11.569 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.101 5.464 9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.778 3.919 11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.991 5.489 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.531 5.103 12.434 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.826 3.783 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.663 4.964 10.999 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.528 5.255 9.249 1.00 0.00 H new ATOM 657 N THR A 45 -13.324 8.326 9.303 1.00 0.00 N ATOM 658 CA THR A 45 -12.085 9.062 9.088 1.00 0.00 C ATOM 659 C THR A 45 -12.355 10.552 8.910 1.00 0.00 C ATOM 660 O THR A 45 -11.585 11.391 9.376 1.00 0.00 O ATOM 661 CB THR A 45 -11.327 8.538 7.853 1.00 0.00 C ATOM 662 OG1 THR A 45 -11.978 8.977 6.656 1.00 0.00 O ATOM 663 CG2 THR A 45 -11.253 7.019 7.869 1.00 0.00 C ATOM 0 H THR A 45 -13.908 8.233 8.472 1.00 0.00 H new ATOM 0 HA THR A 45 -11.469 8.910 9.974 1.00 0.00 H new ATOM 0 HB THR A 45 -10.313 8.936 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.115 8.212 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.714 6.672 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.731 6.690 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.262 6.606 7.863 1.00 0.00 H new ATOM 671 N GLY A 46 -13.453 10.874 8.235 1.00 0.00 N ATOM 672 CA GLY A 46 -13.805 12.263 8.008 1.00 0.00 C ATOM 673 C GLY A 46 -13.157 12.829 6.760 1.00 0.00 C ATOM 674 O GLY A 46 -13.392 13.983 6.399 1.00 0.00 O ATOM 0 H GLY A 46 -14.106 10.197 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.888 12.351 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.504 12.857 8.871 1.00 0.00 H new ATOM 678 N LEU A 47 -12.338 12.018 6.100 1.00 0.00 N ATOM 679 CA LEU A 47 -11.652 12.444 4.886 1.00 0.00 C ATOM 680 C LEU A 47 -12.601 12.431 3.692 1.00 0.00 C ATOM 681 O LEU A 47 -13.452 11.549 3.571 1.00 0.00 O ATOM 682 CB LEU A 47 -10.453 11.537 4.608 1.00 0.00 C ATOM 683 CG LEU A 47 -9.443 11.392 5.747 1.00 0.00 C ATOM 684 CD1 LEU A 47 -8.744 10.043 5.672 1.00 0.00 C ATOM 685 CD2 LEU A 47 -8.428 12.524 5.707 1.00 0.00 C ATOM 0 H LEU A 47 -12.133 11.061 6.386 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.300 13.464 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.825 10.545 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.930 11.919 3.731 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.981 11.447 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.029 9.958 6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.483 9.245 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.219 9.958 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.717 12.404 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.895 12.501 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.944 13.479 5.811 1.00 0.00 H new ATOM 697 N SER A 48 -12.449 13.414 2.810 1.00 0.00 N ATOM 698 CA SER A 48 -13.293 13.517 1.626 1.00 0.00 C ATOM 699 C SER A 48 -13.438 12.161 0.942 1.00 0.00 C ATOM 700 O SER A 48 -12.477 11.397 0.840 1.00 0.00 O ATOM 701 CB SER A 48 -12.709 14.535 0.644 1.00 0.00 C ATOM 702 OG SER A 48 -12.998 15.861 1.053 1.00 0.00 O ATOM 0 H SER A 48 -11.749 14.151 2.894 1.00 0.00 H new ATOM 0 HA SER A 48 -14.280 13.853 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.630 14.400 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.118 14.361 -0.351 1.00 0.00 H new ATOM 0 HG SER A 48 -12.613 16.493 0.410 1.00 0.00 H new ATOM 708 N THR A 49 -14.647 11.867 0.475 1.00 0.00 N ATOM 709 CA THR A 49 -14.920 10.602 -0.198 1.00 0.00 C ATOM 710 C THR A 49 -13.774 10.214 -1.124 1.00 0.00 C ATOM 711 O THR A 49 -13.369 9.052 -1.174 1.00 0.00 O ATOM 712 CB THR A 49 -16.224 10.671 -1.014 1.00 0.00 C ATOM 713 OG1 THR A 49 -17.246 11.324 -0.252 1.00 0.00 O ATOM 714 CG2 THR A 49 -16.691 9.278 -1.408 1.00 0.00 C ATOM 0 H THR A 49 -15.453 12.487 0.550 1.00 0.00 H new ATOM 0 HA THR A 49 -15.026 9.846 0.580 1.00 0.00 H new ATOM 0 HB THR A 49 -16.028 11.242 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.071 11.365 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.614 9.353 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.924 8.795 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.870 8.687 -0.510 1.00 0.00 H new ATOM 722 N ARG A 50 -13.253 11.193 -1.857 1.00 0.00 N ATOM 723 CA ARG A 50 -12.152 10.953 -2.782 1.00 0.00 C ATOM 724 C ARG A 50 -10.866 10.636 -2.025 1.00 0.00 C ATOM 725 O ARG A 50 -10.070 9.803 -2.458 1.00 0.00 O ATOM 726 CB ARG A 50 -11.941 12.171 -3.684 1.00 0.00 C ATOM 727 CG ARG A 50 -10.966 11.922 -4.823 1.00 0.00 C ATOM 728 CD ARG A 50 -11.178 12.907 -5.962 1.00 0.00 C ATOM 729 NE ARG A 50 -10.008 12.999 -6.831 1.00 0.00 N ATOM 730 CZ ARG A 50 -8.851 13.531 -6.454 1.00 0.00 C ATOM 731 NH1 ARG A 50 -8.710 14.018 -5.228 1.00 0.00 N ATOM 732 NH2 ARG A 50 -7.832 13.578 -7.302 1.00 0.00 N ATOM 0 H ARG A 50 -13.576 12.160 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.410 10.093 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.902 12.476 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.576 13.002 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.944 12.006 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.089 10.904 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.043 12.600 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.404 13.892 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.084 12.634 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.491 13.984 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.821 14.426 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.936 13.205 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.944 13.987 -7.010 1.00 0.00 H new ATOM 746 N GLU A 51 -10.669 11.309 -0.896 1.00 0.00 N ATOM 747 CA GLU A 51 -9.477 11.099 -0.081 1.00 0.00 C ATOM 748 C GLU A 51 -9.472 9.699 0.526 1.00 0.00 C ATOM 749 O GLU A 51 -8.417 9.089 0.698 1.00 0.00 O ATOM 750 CB GLU A 51 -9.401 12.149 1.029 1.00 0.00 C ATOM 751 CG GLU A 51 -8.678 13.420 0.617 1.00 0.00 C ATOM 752 CD GLU A 51 -8.121 14.186 1.801 1.00 0.00 C ATOM 753 OE1 GLU A 51 -8.846 14.330 2.808 1.00 0.00 O ATOM 754 OE2 GLU A 51 -6.960 14.640 1.721 1.00 0.00 O ATOM 0 H GLU A 51 -11.318 12.003 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.604 11.199 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.412 12.403 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.895 11.717 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.864 13.166 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.365 14.061 0.065 1.00 0.00 H new ATOM 761 N VAL A 52 -10.660 9.197 0.849 1.00 0.00 N ATOM 762 CA VAL A 52 -10.794 7.868 1.436 1.00 0.00 C ATOM 763 C VAL A 52 -10.435 6.783 0.429 1.00 0.00 C ATOM 764 O VAL A 52 -9.604 5.917 0.703 1.00 0.00 O ATOM 765 CB VAL A 52 -12.225 7.624 1.950 1.00 0.00 C ATOM 766 CG1 VAL A 52 -12.374 6.199 2.458 1.00 0.00 C ATOM 767 CG2 VAL A 52 -12.578 8.627 3.040 1.00 0.00 C ATOM 0 H VAL A 52 -11.543 9.690 0.714 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.101 7.822 2.276 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.919 7.763 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.392 6.045 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.166 5.500 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.672 6.028 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.593 8.440 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.881 8.522 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.514 9.638 2.638 1.00 0.00 H new ATOM 777 N ARG A 53 -11.066 6.836 -0.739 1.00 0.00 N ATOM 778 CA ARG A 53 -10.814 5.856 -1.789 1.00 0.00 C ATOM 779 C ARG A 53 -9.380 5.961 -2.298 1.00 0.00 C ATOM 780 O ARG A 53 -8.750 4.954 -2.626 1.00 0.00 O ATOM 781 CB ARG A 53 -11.793 6.055 -2.948 1.00 0.00 C ATOM 782 CG ARG A 53 -13.165 5.451 -2.698 1.00 0.00 C ATOM 783 CD ARG A 53 -14.135 5.789 -3.818 1.00 0.00 C ATOM 784 NE ARG A 53 -13.879 5.002 -5.021 1.00 0.00 N ATOM 785 CZ ARG A 53 -12.986 5.340 -5.944 1.00 0.00 C ATOM 786 NH1 ARG A 53 -12.267 6.445 -5.802 1.00 0.00 N ATOM 787 NH2 ARG A 53 -12.810 4.572 -7.012 1.00 0.00 N ATOM 0 H ARG A 53 -11.756 7.547 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.960 4.862 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.905 7.122 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.370 5.613 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.076 4.368 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.559 5.819 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.156 5.611 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.058 6.850 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.415 4.146 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.399 7.038 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.582 6.702 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.361 3.721 -7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.124 4.833 -7.720 1.00 0.00 H new ATOM 801 N LYS A 54 -8.867 7.185 -2.360 1.00 0.00 N ATOM 802 CA LYS A 54 -7.507 7.423 -2.827 1.00 0.00 C ATOM 803 C LYS A 54 -6.500 6.637 -1.993 1.00 0.00 C ATOM 804 O LYS A 54 -5.623 5.964 -2.535 1.00 0.00 O ATOM 805 CB LYS A 54 -7.179 8.916 -2.768 1.00 0.00 C ATOM 806 CG LYS A 54 -5.770 9.248 -3.225 1.00 0.00 C ATOM 807 CD LYS A 54 -5.518 10.747 -3.215 1.00 0.00 C ATOM 808 CE LYS A 54 -4.053 11.064 -2.961 1.00 0.00 C ATOM 809 NZ LYS A 54 -3.839 12.512 -2.681 1.00 0.00 N ATOM 0 H LYS A 54 -9.374 8.029 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.440 7.083 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.891 9.460 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.313 9.269 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.049 8.753 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.612 8.858 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.824 11.175 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.131 11.215 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.695 10.474 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.462 10.771 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.828 12.687 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.157 13.074 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.383 12.787 -1.838 1.00 0.00 H new ATOM 823 N TRP A 55 -6.634 6.726 -0.675 1.00 0.00 N ATOM 824 CA TRP A 55 -5.736 6.022 0.233 1.00 0.00 C ATOM 825 C TRP A 55 -5.533 4.578 -0.212 1.00 0.00 C ATOM 826 O TRP A 55 -4.404 4.135 -0.420 1.00 0.00 O ATOM 827 CB TRP A 55 -6.289 6.055 1.658 1.00 0.00 C ATOM 828 CG TRP A 55 -5.476 5.255 2.631 1.00 0.00 C ATOM 829 CD1 TRP A 55 -4.434 5.701 3.391 1.00 0.00 C ATOM 830 CD2 TRP A 55 -5.640 3.868 2.944 1.00 0.00 C ATOM 831 NE1 TRP A 55 -3.938 4.675 4.158 1.00 0.00 N ATOM 832 CE2 TRP A 55 -4.661 3.540 3.904 1.00 0.00 C ATOM 833 CE3 TRP A 55 -6.517 2.871 2.510 1.00 0.00 C ATOM 834 CZ2 TRP A 55 -4.539 2.258 4.433 1.00 0.00 C ATOM 835 CZ3 TRP A 55 -6.393 1.599 3.036 1.00 0.00 C ATOM 836 CH2 TRP A 55 -5.411 1.302 3.990 1.00 0.00 C ATOM 0 H TRP A 55 -7.355 7.278 -0.211 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.771 6.528 0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.335 7.090 1.998 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.311 5.676 1.652 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -4.055 6.712 3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.158 4.747 4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.279 3.090 1.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.782 2.026 5.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.065 0.820 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.341 0.299 4.383 1.00 0.00 H new ATOM 847 N PHE A 56 -6.635 3.849 -0.358 1.00 0.00 N ATOM 848 CA PHE A 56 -6.577 2.454 -0.779 1.00 0.00 C ATOM 849 C PHE A 56 -5.513 2.253 -1.855 1.00 0.00 C ATOM 850 O PHE A 56 -4.781 1.264 -1.842 1.00 0.00 O ATOM 851 CB PHE A 56 -7.941 2.001 -1.304 1.00 0.00 C ATOM 852 CG PHE A 56 -8.905 1.619 -0.217 1.00 0.00 C ATOM 853 CD1 PHE A 56 -9.584 2.591 0.498 1.00 0.00 C ATOM 854 CD2 PHE A 56 -9.130 0.286 0.091 1.00 0.00 C ATOM 855 CE1 PHE A 56 -10.473 2.243 1.499 1.00 0.00 C ATOM 856 CE2 PHE A 56 -10.016 -0.069 1.090 1.00 0.00 C ATOM 857 CZ PHE A 56 -10.688 0.911 1.795 1.00 0.00 C ATOM 0 H PHE A 56 -7.578 4.201 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.310 1.850 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -8.377 2.803 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.801 1.150 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.417 3.634 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.607 -0.484 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.998 3.011 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.183 -1.111 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.381 0.636 2.577 1.00 0.00 H new ATOM 867 N SER A 57 -5.437 3.199 -2.786 1.00 0.00 N ATOM 868 CA SER A 57 -4.467 3.125 -3.872 1.00 0.00 C ATOM 869 C SER A 57 -3.042 3.076 -3.326 1.00 0.00 C ATOM 870 O SER A 57 -2.238 2.240 -3.736 1.00 0.00 O ATOM 871 CB SER A 57 -4.625 4.325 -4.807 1.00 0.00 C ATOM 872 OG SER A 57 -3.833 4.171 -5.972 1.00 0.00 O ATOM 0 H SER A 57 -6.035 4.025 -2.810 1.00 0.00 H new ATOM 0 HA SER A 57 -4.655 2.209 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.672 4.436 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.336 5.237 -4.285 1.00 0.00 H new ATOM 0 HG SER A 57 -3.953 4.950 -6.554 1.00 0.00 H new ATOM 878 N ASP A 58 -2.739 3.978 -2.399 1.00 0.00 N ATOM 879 CA ASP A 58 -1.414 4.039 -1.795 1.00 0.00 C ATOM 880 C ASP A 58 -0.975 2.661 -1.308 1.00 0.00 C ATOM 881 O ASP A 58 -0.006 2.093 -1.814 1.00 0.00 O ATOM 882 CB ASP A 58 -1.405 5.031 -0.631 1.00 0.00 C ATOM 883 CG ASP A 58 -1.268 6.468 -1.096 1.00 0.00 C ATOM 884 OD1 ASP A 58 -0.550 6.704 -2.090 1.00 0.00 O ATOM 885 OD2 ASP A 58 -1.880 7.356 -0.467 1.00 0.00 O ATOM 0 H ASP A 58 -3.394 4.677 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.711 4.377 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.326 4.924 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.582 4.790 0.042 1.00 0.00 H new ATOM 890 N ARG A 59 -1.693 2.130 -0.324 1.00 0.00 N ATOM 891 CA ARG A 59 -1.377 0.820 0.231 1.00 0.00 C ATOM 892 C ARG A 59 -1.161 -0.204 -0.879 1.00 0.00 C ATOM 893 O ARG A 59 -0.184 -0.952 -0.866 1.00 0.00 O ATOM 894 CB ARG A 59 -2.498 0.353 1.161 1.00 0.00 C ATOM 895 CG ARG A 59 -2.307 0.777 2.608 1.00 0.00 C ATOM 896 CD ARG A 59 -1.314 -0.122 3.326 1.00 0.00 C ATOM 897 NE ARG A 59 -1.968 -1.264 3.958 1.00 0.00 N ATOM 898 CZ ARG A 59 -1.318 -2.197 4.646 1.00 0.00 C ATOM 899 NH1 ARG A 59 -0.002 -2.120 4.791 1.00 0.00 N ATOM 900 NH2 ARG A 59 -1.984 -3.206 5.191 1.00 0.00 N ATOM 0 H ARG A 59 -2.498 2.587 0.105 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.453 0.909 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.447 0.747 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.566 -0.734 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.956 1.809 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.266 0.749 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.568 -0.479 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.783 0.456 4.082 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.980 -1.351 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.512 -1.344 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.496 -2.837 5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.996 -3.267 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.484 -3.921 5.719 1.00 0.00 H new ATOM 914 N ARG A 60 -2.081 -0.233 -1.838 1.00 0.00 N ATOM 915 CA ARG A 60 -1.993 -1.166 -2.954 1.00 0.00 C ATOM 916 C ARG A 60 -0.656 -1.027 -3.675 1.00 0.00 C ATOM 917 O ARG A 60 0.041 -2.016 -3.908 1.00 0.00 O ATOM 918 CB ARG A 60 -3.141 -0.929 -3.937 1.00 0.00 C ATOM 919 CG ARG A 60 -4.388 -1.739 -3.625 1.00 0.00 C ATOM 920 CD ARG A 60 -4.318 -3.129 -4.240 1.00 0.00 C ATOM 921 NE ARG A 60 -3.667 -4.088 -3.352 1.00 0.00 N ATOM 922 CZ ARG A 60 -4.183 -4.485 -2.194 1.00 0.00 C ATOM 923 NH1 ARG A 60 -5.351 -4.007 -1.786 1.00 0.00 N ATOM 924 NH2 ARG A 60 -3.530 -5.362 -1.442 1.00 0.00 N ATOM 0 H ARG A 60 -2.896 0.380 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.068 -2.178 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.397 0.131 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.802 -1.173 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.508 -1.823 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.267 -1.216 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.326 -3.475 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.774 -3.081 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.767 -4.474 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.855 -3.333 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.745 -4.314 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.632 -5.731 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.926 -5.667 -0.553 1.00 0.00 H new ATOM 938 N TYR A 61 -0.303 0.205 -4.024 1.00 0.00 N ATOM 939 CA TYR A 61 0.950 0.473 -4.720 1.00 0.00 C ATOM 940 C TYR A 61 2.121 -0.201 -4.013 1.00 0.00 C ATOM 941 O TYR A 61 2.911 -0.914 -4.633 1.00 0.00 O ATOM 942 CB TYR A 61 1.193 1.980 -4.813 1.00 0.00 C ATOM 943 CG TYR A 61 2.346 2.353 -5.719 1.00 0.00 C ATOM 944 CD1 TYR A 61 2.174 2.437 -7.095 1.00 0.00 C ATOM 945 CD2 TYR A 61 3.606 2.620 -5.198 1.00 0.00 C ATOM 946 CE1 TYR A 61 3.224 2.776 -7.926 1.00 0.00 C ATOM 947 CE2 TYR A 61 4.661 2.962 -6.022 1.00 0.00 C ATOM 948 CZ TYR A 61 4.466 3.038 -7.385 1.00 0.00 C ATOM 949 OH TYR A 61 5.514 3.377 -8.210 1.00 0.00 O ATOM 0 H TYR A 61 -0.867 1.034 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 61 0.873 0.062 -5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.286 2.464 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.386 2.371 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.203 2.234 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.763 2.559 -4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.074 2.836 -8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.634 3.169 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 61 6.318 3.530 -7.671 1.00 0.00 H new ATOM 959 N HIS A 62 2.229 0.031 -2.708 1.00 0.00 N ATOM 960 CA HIS A 62 3.303 -0.554 -1.913 1.00 0.00 C ATOM 961 C HIS A 62 3.564 -1.998 -2.332 1.00 0.00 C ATOM 962 O HIS A 62 4.713 -2.406 -2.504 1.00 0.00 O ATOM 963 CB HIS A 62 2.954 -0.498 -0.426 1.00 0.00 C ATOM 964 CG HIS A 62 4.126 -0.750 0.474 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.121 -1.710 1.463 1.00 0.00 N ATOM 966 CD2 HIS A 62 5.343 -0.161 0.527 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.285 -1.700 2.088 1.00 0.00 C ATOM 968 NE2 HIS A 62 6.045 -0.770 1.539 1.00 0.00 N ATOM 0 H HIS A 62 1.586 0.620 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 62 4.209 0.026 -2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.534 0.481 -0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.179 -1.235 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.696 0.638 -0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.567 -2.343 2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 62 6.998 -0.541 1.820 1.00 0.00 H new ATOM 977 N CYS A 63 2.493 -2.765 -2.494 1.00 0.00 N ATOM 978 CA CYS A 63 2.606 -4.164 -2.891 1.00 0.00 C ATOM 979 C CYS A 63 3.273 -4.289 -4.257 1.00 0.00 C ATOM 980 O CYS A 63 4.127 -5.151 -4.466 1.00 0.00 O ATOM 981 CB CYS A 63 1.225 -4.821 -2.922 1.00 0.00 C ATOM 982 SG CYS A 63 1.269 -6.625 -3.036 1.00 0.00 S ATOM 0 H CYS A 63 1.535 -2.442 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 63 3.227 -4.676 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.679 -4.538 -2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.666 -4.427 -3.771 1.00 0.00 H new ATOM 0 HG CYS A 63 0.055 -7.088 -3.054 1.00 0.00 H new ATOM 988 N ARG A 64 2.876 -3.424 -5.185 1.00 0.00 N ATOM 989 CA ARG A 64 3.433 -3.439 -6.532 1.00 0.00 C ATOM 990 C ARG A 64 4.937 -3.689 -6.496 1.00 0.00 C ATOM 991 O ARG A 64 5.468 -4.455 -7.299 1.00 0.00 O ATOM 992 CB ARG A 64 3.142 -2.116 -7.242 1.00 0.00 C ATOM 993 CG ARG A 64 3.039 -2.245 -8.754 1.00 0.00 C ATOM 994 CD ARG A 64 3.471 -0.966 -9.452 1.00 0.00 C ATOM 995 NE ARG A 64 4.910 -0.940 -9.706 1.00 0.00 N ATOM 996 CZ ARG A 64 5.530 0.060 -10.321 1.00 0.00 C ATOM 997 NH1 ARG A 64 4.842 1.112 -10.742 1.00 0.00 N ATOM 998 NH2 ARG A 64 6.841 0.010 -10.515 1.00 0.00 N ATOM 0 H ARG A 64 2.171 -2.704 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 64 2.960 -4.251 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.209 -1.704 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.930 -1.403 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.661 -3.074 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.012 -2.483 -9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.934 -0.869 -10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.195 -0.108 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 64 5.469 -1.734 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.834 1.155 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.321 1.879 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.374 -0.797 -10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.316 0.779 -10.988 1.00 0.00 H new ATOM 1012 N ASN A 65 5.617 -3.038 -5.558 1.00 0.00 N ATOM 1013 CA ASN A 65 7.062 -3.189 -5.418 1.00 0.00 C ATOM 1014 C ASN A 65 7.413 -3.849 -4.089 1.00 0.00 C ATOM 1015 O ASN A 65 7.154 -3.294 -3.020 1.00 0.00 O ATOM 1016 CB ASN A 65 7.749 -1.826 -5.521 1.00 0.00 C ATOM 1017 CG ASN A 65 7.162 -0.962 -6.620 1.00 0.00 C ATOM 1018 OD1 ASN A 65 5.993 -0.578 -6.564 1.00 0.00 O ATOM 1019 ND2 ASN A 65 7.971 -0.653 -7.627 1.00 0.00 N ATOM 0 H ASN A 65 5.192 -2.401 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 65 7.416 -3.829 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.661 -1.305 -4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.813 -1.972 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.631 -0.075 -8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.933 -0.993 -7.632 1.00 0.00 H new ATOM 1026 N LEU A 66 8.003 -5.037 -4.162 1.00 0.00 N ATOM 1027 CA LEU A 66 8.390 -5.774 -2.965 1.00 0.00 C ATOM 1028 C LEU A 66 9.646 -6.602 -3.219 1.00 0.00 C ATOM 1029 O LEU A 66 9.618 -7.580 -3.967 1.00 0.00 O ATOM 1030 CB LEU A 66 7.248 -6.684 -2.510 1.00 0.00 C ATOM 1031 CG LEU A 66 7.170 -6.964 -1.009 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.803 -7.519 -0.640 1.00 0.00 C ATOM 1033 CD2 LEU A 66 8.271 -7.926 -0.587 1.00 0.00 C ATOM 0 H LEU A 66 8.224 -5.510 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 66 8.606 -5.052 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.306 -6.236 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.339 -7.636 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 66 7.314 -6.024 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.766 -7.712 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.033 -6.795 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.629 -8.448 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.200 -8.113 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.160 -8.866 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.243 -7.489 -0.815 1.00 0.00 H new ATOM 1045 N LYS A 67 10.747 -6.207 -2.589 1.00 0.00 N ATOM 1046 CA LYS A 67 12.013 -6.913 -2.743 1.00 0.00 C ATOM 1047 C LYS A 67 11.799 -8.423 -2.729 1.00 0.00 C ATOM 1048 O LYS A 67 10.876 -8.923 -2.087 1.00 0.00 O ATOM 1049 CB LYS A 67 12.982 -6.516 -1.626 1.00 0.00 C ATOM 1050 CG LYS A 67 13.552 -5.117 -1.786 1.00 0.00 C ATOM 1051 CD LYS A 67 14.426 -4.733 -0.605 1.00 0.00 C ATOM 1052 CE LYS A 67 15.458 -3.683 -0.991 1.00 0.00 C ATOM 1053 NZ LYS A 67 14.820 -2.388 -1.356 1.00 0.00 N ATOM 0 H LYS A 67 10.788 -5.400 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 67 12.441 -6.632 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.466 -6.582 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.803 -7.233 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.136 -5.064 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.737 -4.400 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.801 -4.351 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.933 -5.619 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.146 -3.528 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.049 -4.046 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.555 -1.699 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.182 -2.531 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.276 -2.028 -0.546 1.00 0.00 H new ATOM 1067 N GLY A 68 12.658 -9.145 -3.442 1.00 0.00 N ATOM 1068 CA GLY A 68 12.545 -10.592 -3.496 1.00 0.00 C ATOM 1069 C GLY A 68 13.311 -11.276 -2.382 1.00 0.00 C ATOM 1070 O GLY A 68 12.717 -11.906 -1.508 1.00 0.00 O ATOM 0 H GLY A 68 13.430 -8.755 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.494 -10.874 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.915 -10.946 -4.458 1.00 0.00 H new ATOM 1074 N SER A 69 14.635 -11.154 -2.414 1.00 0.00 N ATOM 1075 CA SER A 69 15.484 -11.769 -1.401 1.00 0.00 C ATOM 1076 C SER A 69 15.266 -13.279 -1.355 1.00 0.00 C ATOM 1077 O SER A 69 15.086 -13.859 -0.284 1.00 0.00 O ATOM 1078 CB SER A 69 15.199 -11.160 -0.026 1.00 0.00 C ATOM 1079 OG SER A 69 16.305 -11.327 0.844 1.00 0.00 O ATOM 0 H SER A 69 15.142 -10.635 -3.131 1.00 0.00 H new ATOM 0 HA SER A 69 16.523 -11.576 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.974 -10.099 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.317 -11.630 0.408 1.00 0.00 H new ATOM 0 HG SER A 69 16.099 -10.928 1.715 1.00 0.00 H new ATOM 1085 N ARG A 70 15.284 -13.909 -2.525 1.00 0.00 N ATOM 1086 CA ARG A 70 15.088 -15.350 -2.620 1.00 0.00 C ATOM 1087 C ARG A 70 16.423 -16.071 -2.781 1.00 0.00 C ATOM 1088 O ARG A 70 16.668 -17.095 -2.143 1.00 0.00 O ATOM 1089 CB ARG A 70 14.170 -15.684 -3.797 1.00 0.00 C ATOM 1090 CG ARG A 70 12.692 -15.505 -3.488 1.00 0.00 C ATOM 1091 CD ARG A 70 11.818 -16.097 -4.581 1.00 0.00 C ATOM 1092 NE ARG A 70 10.422 -15.688 -4.447 1.00 0.00 N ATOM 1093 CZ ARG A 70 9.518 -15.838 -5.409 1.00 0.00 C ATOM 1094 NH1 ARG A 70 9.860 -16.382 -6.569 1.00 0.00 N ATOM 1095 NH2 ARG A 70 8.267 -15.441 -5.211 1.00 0.00 N ATOM 0 H ARG A 70 15.432 -13.444 -3.420 1.00 0.00 H new ATOM 0 HA ARG A 70 14.621 -15.690 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.435 -15.051 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.346 -16.715 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.458 -15.981 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.468 -14.444 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.195 -15.786 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.882 -17.185 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 70 10.125 -15.265 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.821 -16.687 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.163 -16.495 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.000 -15.021 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.573 -15.556 -5.949 1.00 0.00 H new ATOM 1109 N SER A 71 17.282 -15.530 -3.639 1.00 0.00 N ATOM 1110 CA SER A 71 18.590 -16.125 -3.888 1.00 0.00 C ATOM 1111 C SER A 71 19.704 -15.220 -3.371 1.00 0.00 C ATOM 1112 O SER A 71 19.527 -14.010 -3.240 1.00 0.00 O ATOM 1113 CB SER A 71 18.781 -16.382 -5.384 1.00 0.00 C ATOM 1114 OG SER A 71 20.127 -16.712 -5.677 1.00 0.00 O ATOM 0 H SER A 71 17.096 -14.681 -4.173 1.00 0.00 H new ATOM 0 HA SER A 71 18.638 -17.074 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.127 -17.193 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.489 -15.496 -5.948 1.00 0.00 H new ATOM 0 HG SER A 71 20.222 -16.873 -6.639 1.00 0.00 H new ATOM 1120 N GLY A 72 20.856 -15.818 -3.077 1.00 0.00 N ATOM 1121 CA GLY A 72 21.983 -15.053 -2.575 1.00 0.00 C ATOM 1122 C GLY A 72 22.338 -15.413 -1.147 1.00 0.00 C ATOM 1123 O GLY A 72 23.074 -16.364 -0.888 1.00 0.00 O ATOM 0 H GLY A 72 21.028 -16.818 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.848 -15.224 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.750 -13.990 -2.631 1.00 0.00 H new ATOM 1127 N PRO A 73 21.808 -14.637 -0.189 1.00 0.00 N ATOM 1128 CA PRO A 73 22.062 -14.858 1.238 1.00 0.00 C ATOM 1129 C PRO A 73 21.390 -16.126 1.756 1.00 0.00 C ATOM 1130 O PRO A 73 20.291 -16.478 1.326 1.00 0.00 O ATOM 1131 CB PRO A 73 21.453 -13.620 1.903 1.00 0.00 C ATOM 1132 CG PRO A 73 20.407 -13.155 0.949 1.00 0.00 C ATOM 1133 CD PRO A 73 20.922 -13.485 -0.425 1.00 0.00 C ATOM 0 HA PRO A 73 23.123 -14.992 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 73 21.023 -13.863 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 73 22.206 -12.850 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.456 -13.653 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.232 -12.084 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.111 -13.735 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.462 -12.646 -0.864 1.00 0.00 H new ATOM 1141 N SER A 74 22.056 -16.806 2.683 1.00 0.00 N ATOM 1142 CA SER A 74 21.525 -18.036 3.257 1.00 0.00 C ATOM 1143 C SER A 74 20.346 -17.741 4.180 1.00 0.00 C ATOM 1144 O SER A 74 20.530 -17.352 5.334 1.00 0.00 O ATOM 1145 CB SER A 74 22.618 -18.777 4.030 1.00 0.00 C ATOM 1146 OG SER A 74 23.661 -19.193 3.165 1.00 0.00 O ATOM 0 H SER A 74 22.964 -16.526 3.053 1.00 0.00 H new ATOM 0 HA SER A 74 21.176 -18.667 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 74 23.022 -18.128 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.189 -19.645 4.531 1.00 0.00 H new ATOM 0 HG SER A 74 24.348 -19.662 3.683 1.00 0.00 H new ATOM 1152 N SER A 75 19.136 -17.926 3.663 1.00 0.00 N ATOM 1153 CA SER A 75 17.927 -17.676 4.438 1.00 0.00 C ATOM 1154 C SER A 75 17.278 -18.987 4.871 1.00 0.00 C ATOM 1155 O SER A 75 16.520 -19.596 4.118 1.00 0.00 O ATOM 1156 CB SER A 75 16.934 -16.848 3.620 1.00 0.00 C ATOM 1157 OG SER A 75 17.170 -15.461 3.784 1.00 0.00 O ATOM 0 H SER A 75 18.967 -18.248 2.710 1.00 0.00 H new ATOM 0 HA SER A 75 18.207 -17.117 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.017 -17.112 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.916 -17.086 3.929 1.00 0.00 H new ATOM 0 HG SER A 75 16.524 -14.954 3.250 1.00 0.00 H new ATOM 1163 N GLY A 76 17.584 -19.417 6.092 1.00 0.00 N ATOM 1164 CA GLY A 76 17.023 -20.653 6.605 1.00 0.00 C ATOM 1165 C GLY A 76 15.512 -20.695 6.493 1.00 0.00 C ATOM 1166 O GLY A 76 14.848 -21.433 7.221 1.00 0.00 O ATOM 0 H GLY A 76 18.210 -18.931 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.448 -21.495 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.310 -20.773 7.650 1.00 0.00 H new TER 1170 GLY A 76