USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 GLN : amide:sc= -4.28! C(o=-8.2!,f=-9.9!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -3.88 K(o=-8.2,f=-8.8!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.284 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -5.46! K(o=-10!,f=-3.5) USER MOD Set 2.3: A 37 MET CE :methyl 140:sc= -4.62! (180deg=-4.49!) USER MOD Single : A 1 MET CE :methyl -152:sc= -1.67 (180deg=-2.68!) USER MOD Single : A 1 MET N :NH3+ -110:sc= -3.04! (180deg=-6.02!) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc=-0.00553 (180deg=-0.205) USER MOD Single : A 5 TYR OH : rot 180:sc= -1.74 USER MOD Single : A 9 SER OG : rot -73:sc= 1.2 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 35:sc= 0.603 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -158:sc= -0.389 USER MOD Single : A 19 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.727 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.73) USER MOD Single : A 35 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.53) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= 1.33 (180deg=0.666) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 60 GLN : amide:sc= -1.48 K(o=-1.5,f=-5.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.139 -2.205 12.348 1.00 0.00 N ATOM 2 CA MET A 1 3.082 -2.711 11.429 1.00 0.00 C ATOM 3 C MET A 1 3.078 -1.953 10.108 1.00 0.00 C ATOM 4 O MET A 1 2.881 -0.738 10.078 1.00 0.00 O ATOM 5 CB MET A 1 1.739 -2.563 12.137 1.00 0.00 C ATOM 6 CG MET A 1 0.522 -2.862 11.283 1.00 0.00 C ATOM 7 SD MET A 1 -0.972 -2.097 11.942 1.00 0.00 S ATOM 8 CE MET A 1 -0.684 -0.379 11.529 1.00 0.00 C ATOM 0 H1 MET A 1 4.888 -2.920 12.442 1.00 0.00 H new ATOM 0 H2 MET A 1 4.544 -1.328 11.962 1.00 0.00 H new ATOM 0 H3 MET A 1 3.724 -2.013 13.282 1.00 0.00 H new ATOM 0 HA MET A 1 3.276 -3.757 11.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.728 -3.226 13.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.656 -1.544 12.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.695 -2.504 10.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.379 -3.941 11.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.199 0.259 12.247 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.386 -0.172 11.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.063 -0.177 10.527 1.00 0.00 H new ATOM 20 N PHE A 2 3.287 -2.678 9.016 1.00 0.00 N ATOM 21 CA PHE A 2 3.309 -2.067 7.697 1.00 0.00 C ATOM 22 C PHE A 2 1.987 -1.378 7.403 1.00 0.00 C ATOM 23 O PHE A 2 0.970 -1.658 8.038 1.00 0.00 O ATOM 24 CB PHE A 2 3.607 -3.109 6.619 1.00 0.00 C ATOM 25 CG PHE A 2 5.001 -3.662 6.686 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.285 -4.768 7.466 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.024 -3.077 5.963 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.564 -5.281 7.525 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.306 -3.584 6.017 1.00 0.00 C ATOM 30 CZ PHE A 2 7.577 -4.688 6.799 1.00 0.00 C ATOM 0 H PHE A 2 3.443 -3.686 9.019 1.00 0.00 H new ATOM 0 HA PHE A 2 4.103 -1.321 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.895 -3.929 6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.450 -2.660 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.496 -5.236 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.817 -2.213 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.772 -6.145 8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.096 -3.117 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.580 -5.087 6.843 1.00 0.00 H new ATOM 40 N LYS A 3 2.014 -0.475 6.440 1.00 0.00 N ATOM 41 CA LYS A 3 0.828 0.264 6.056 1.00 0.00 C ATOM 42 C LYS A 3 0.716 0.326 4.544 1.00 0.00 C ATOM 43 O LYS A 3 1.591 0.866 3.872 1.00 0.00 O ATOM 44 CB LYS A 3 0.890 1.674 6.635 1.00 0.00 C ATOM 45 CG LYS A 3 0.236 1.798 8.000 1.00 0.00 C ATOM 46 CD LYS A 3 1.207 1.430 9.114 1.00 0.00 C ATOM 47 CE LYS A 3 1.434 2.593 10.067 1.00 0.00 C ATOM 48 NZ LYS A 3 0.195 2.956 10.807 1.00 0.00 N ATOM 0 H LYS A 3 2.850 -0.236 5.907 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.051 -0.246 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.933 1.981 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.404 2.363 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.117 2.819 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.638 1.149 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.819 0.576 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.159 1.123 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.218 2.332 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.788 3.458 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.031 3.957 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.593 2.363 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.341 2.803 11.825 1.00 0.00 H new ATOM 62 N VAL A 4 -0.352 -0.241 4.004 1.00 0.00 N ATOM 63 CA VAL A 4 -0.546 -0.239 2.561 1.00 0.00 C ATOM 64 C VAL A 4 -1.671 0.700 2.139 1.00 0.00 C ATOM 65 O VAL A 4 -2.712 0.779 2.789 1.00 0.00 O ATOM 66 CB VAL A 4 -0.844 -1.655 2.017 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.454 -1.583 0.626 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.418 -2.496 1.983 1.00 0.00 C ATOM 0 H VAL A 4 -1.090 -0.703 4.535 1.00 0.00 H new ATOM 0 HA VAL A 4 0.392 0.116 2.134 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.561 -2.125 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.655 -2.591 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.386 -1.019 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.759 -1.086 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.184 -3.488 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.155 -2.020 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.823 -2.585 2.991 1.00 0.00 H new ATOM 78 N TYR A 5 -1.453 1.384 1.022 1.00 0.00 N ATOM 79 CA TYR A 5 -2.439 2.298 0.461 1.00 0.00 C ATOM 80 C TYR A 5 -2.785 1.856 -0.955 1.00 0.00 C ATOM 81 O TYR A 5 -1.989 2.031 -1.875 1.00 0.00 O ATOM 82 CB TYR A 5 -1.902 3.731 0.428 1.00 0.00 C ATOM 83 CG TYR A 5 -1.794 4.396 1.783 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.051 3.820 2.805 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.417 5.613 2.030 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.933 4.438 4.035 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.307 6.236 3.259 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.562 5.646 4.257 1.00 0.00 C ATOM 89 OH TYR A 5 -1.446 6.263 5.481 1.00 0.00 O ATOM 0 H TYR A 5 -0.590 1.321 0.482 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.329 2.277 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.917 3.725 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.552 4.334 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.558 2.874 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.997 6.080 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.351 3.978 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.802 7.179 3.436 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.948 7.105 5.472 1.00 0.00 H new ATOM 99 N GLY A 6 -3.963 1.266 -1.129 1.00 0.00 N ATOM 100 CA GLY A 6 -4.368 0.803 -2.443 1.00 0.00 C ATOM 101 C GLY A 6 -5.847 0.466 -2.507 1.00 0.00 C ATOM 102 O GLY A 6 -6.676 1.181 -1.944 1.00 0.00 O ATOM 0 H GLY A 6 -4.642 1.101 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.141 1.571 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.785 -0.079 -2.710 1.00 0.00 H new ATOM 106 N TYR A 7 -6.177 -0.630 -3.187 1.00 0.00 N ATOM 107 CA TYR A 7 -7.560 -1.068 -3.316 1.00 0.00 C ATOM 108 C TYR A 7 -7.789 -2.343 -2.508 1.00 0.00 C ATOM 109 O TYR A 7 -6.854 -3.108 -2.264 1.00 0.00 O ATOM 110 CB TYR A 7 -7.904 -1.301 -4.792 1.00 0.00 C ATOM 111 CG TYR A 7 -7.883 -0.039 -5.634 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.652 1.070 -5.293 1.00 0.00 C ATOM 113 CD2 TYR A 7 -7.074 0.047 -6.759 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.606 2.226 -6.053 1.00 0.00 C ATOM 115 CE2 TYR A 7 -7.021 1.201 -7.520 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.787 2.287 -7.161 1.00 0.00 C ATOM 117 OH TYR A 7 -7.732 3.440 -7.912 1.00 0.00 O ATOM 0 H TYR A 7 -5.501 -1.231 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.213 -0.288 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.198 -2.018 -5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.893 -1.753 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.293 1.028 -4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.474 -0.804 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.210 3.078 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.383 1.250 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.106 3.316 -8.656 1.00 0.00 H new ATOM 127 N ASP A 8 -9.026 -2.560 -2.076 1.00 0.00 N ATOM 128 CA ASP A 8 -9.355 -3.736 -1.278 1.00 0.00 C ATOM 129 C ASP A 8 -9.584 -4.968 -2.153 1.00 0.00 C ATOM 130 O ASP A 8 -9.835 -6.061 -1.640 1.00 0.00 O ATOM 131 CB ASP A 8 -10.593 -3.467 -0.420 1.00 0.00 C ATOM 132 CG ASP A 8 -10.565 -4.231 0.890 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.555 -4.128 1.618 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.554 -4.934 1.189 1.00 0.00 O ATOM 0 H ASP A 8 -9.814 -1.941 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.503 -3.940 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.664 -2.399 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.487 -3.743 -0.980 1.00 0.00 H new ATOM 139 N SER A 9 -9.508 -4.783 -3.474 1.00 0.00 N ATOM 140 CA SER A 9 -9.716 -5.874 -4.431 1.00 0.00 C ATOM 141 C SER A 9 -11.204 -6.112 -4.671 1.00 0.00 C ATOM 142 O SER A 9 -11.601 -6.651 -5.704 1.00 0.00 O ATOM 143 CB SER A 9 -9.039 -7.167 -3.951 1.00 0.00 C ATOM 144 OG SER A 9 -9.928 -7.964 -3.184 1.00 0.00 O ATOM 0 H SER A 9 -9.303 -3.883 -3.907 1.00 0.00 H new ATOM 0 HA SER A 9 -9.257 -5.578 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.688 -7.737 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.162 -6.920 -3.353 1.00 0.00 H new ATOM 0 HG SER A 9 -10.066 -7.549 -2.307 1.00 0.00 H new ATOM 150 N ASN A 10 -12.030 -5.700 -3.716 1.00 0.00 N ATOM 151 CA ASN A 10 -13.465 -5.867 -3.834 1.00 0.00 C ATOM 152 C ASN A 10 -14.058 -4.852 -4.803 1.00 0.00 C ATOM 153 O ASN A 10 -15.037 -5.132 -5.488 1.00 0.00 O ATOM 154 CB ASN A 10 -14.146 -5.681 -2.471 1.00 0.00 C ATOM 155 CG ASN A 10 -13.893 -6.827 -1.514 1.00 0.00 C ATOM 156 OD1 ASN A 10 -13.407 -7.887 -1.905 1.00 0.00 O ATOM 157 ND2 ASN A 10 -14.233 -6.615 -0.250 1.00 0.00 N ATOM 0 H ASN A 10 -11.726 -5.249 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.641 -6.876 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.792 -4.754 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.220 -5.572 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.094 -7.348 0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.633 -5.719 0.027 1.00 0.00 H new ATOM 164 N ILE A 11 -13.488 -3.653 -4.803 1.00 0.00 N ATOM 165 CA ILE A 11 -14.003 -2.563 -5.622 1.00 0.00 C ATOM 166 C ILE A 11 -13.170 -2.250 -6.883 1.00 0.00 C ATOM 167 O ILE A 11 -13.572 -1.405 -7.678 1.00 0.00 O ATOM 168 CB ILE A 11 -14.074 -1.271 -4.765 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.808 -1.525 -3.441 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.732 -0.133 -5.536 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.315 -1.635 -3.565 1.00 0.00 C ATOM 0 H ILE A 11 -12.669 -3.411 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.983 -2.895 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.051 -0.974 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.425 -2.445 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.572 -0.717 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.767 0.758 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.154 0.079 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.746 -0.421 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.749 -1.814 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.715 -0.707 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.566 -2.463 -4.229 1.00 0.00 H new ATOM 183 N HIS A 12 -12.007 -2.869 -7.057 1.00 0.00 N ATOM 184 CA HIS A 12 -11.161 -2.539 -8.204 1.00 0.00 C ATOM 185 C HIS A 12 -10.091 -3.624 -8.313 1.00 0.00 C ATOM 186 O HIS A 12 -9.218 -3.728 -7.453 1.00 0.00 O ATOM 187 CB HIS A 12 -10.539 -1.200 -7.870 1.00 0.00 C ATOM 188 CG HIS A 12 -10.204 -0.243 -8.991 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.956 -0.565 -10.295 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.089 1.104 -8.924 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.705 0.566 -10.968 1.00 0.00 C ATOM 192 NE2 HIS A 12 -9.774 1.616 -10.174 1.00 0.00 N ATOM 0 H HIS A 12 -11.633 -3.586 -6.436 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.701 -2.487 -9.149 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.216 -0.684 -7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.619 -1.394 -7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.223 1.693 -8.029 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.476 0.611 -12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.627 2.594 -10.425 1.00 0.00 H new ATOM 200 N LYS A 13 -10.217 -4.458 -9.323 1.00 0.00 N ATOM 201 CA LYS A 13 -9.298 -5.607 -9.515 1.00 0.00 C ATOM 202 C LYS A 13 -7.840 -5.264 -9.185 1.00 0.00 C ATOM 203 O LYS A 13 -7.324 -4.228 -9.603 1.00 0.00 O ATOM 204 CB LYS A 13 -9.368 -6.196 -10.935 1.00 0.00 C ATOM 205 CG LYS A 13 -8.722 -7.571 -11.000 1.00 0.00 C ATOM 206 CD LYS A 13 -9.137 -8.337 -12.233 1.00 0.00 C ATOM 207 CE LYS A 13 -8.116 -9.410 -12.566 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.541 -10.244 -13.721 1.00 0.00 N ATOM 0 H LYS A 13 -10.942 -4.379 -10.036 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.647 -6.359 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.409 -6.267 -11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.869 -5.525 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.637 -7.462 -10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.994 -8.141 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.113 -8.794 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.241 -7.653 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.158 -8.941 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.963 -10.048 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.816 -10.964 -13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.443 -10.712 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.662 -9.640 -14.559 1.00 0.00 H new ATOM 222 N CYS A 14 -7.191 -6.166 -8.432 1.00 0.00 N ATOM 223 CA CYS A 14 -5.785 -6.013 -8.022 1.00 0.00 C ATOM 224 C CYS A 14 -5.241 -7.337 -7.475 1.00 0.00 C ATOM 225 O CYS A 14 -5.620 -7.756 -6.382 1.00 0.00 O ATOM 226 CB CYS A 14 -5.642 -4.946 -6.929 1.00 0.00 C ATOM 227 SG CYS A 14 -5.496 -3.259 -7.553 1.00 0.00 S ATOM 0 H CYS A 14 -7.626 -7.023 -8.090 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.220 -5.709 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.506 -5.003 -6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.763 -5.175 -6.326 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.222 -3.128 -8.623 1.00 0.00 H new ATOM 233 N VAL A 15 -4.347 -7.987 -8.219 1.00 0.00 N ATOM 234 CA VAL A 15 -3.763 -9.257 -7.769 1.00 0.00 C ATOM 235 C VAL A 15 -2.539 -9.009 -6.900 1.00 0.00 C ATOM 236 O VAL A 15 -2.218 -9.802 -6.014 1.00 0.00 O ATOM 237 CB VAL A 15 -3.350 -10.162 -8.950 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.572 -10.642 -9.714 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.382 -9.442 -9.879 1.00 0.00 C ATOM 0 H VAL A 15 -4.012 -7.663 -9.126 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.538 -9.765 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.838 -11.033 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.257 -11.278 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.219 -11.210 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.118 -9.783 -10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.108 -10.103 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.858 -8.546 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.486 -9.162 -9.325 1.00 0.00 H new ATOM 249 N TYR A 16 -1.860 -7.904 -7.171 1.00 0.00 N ATOM 250 CA TYR A 16 -0.663 -7.532 -6.433 1.00 0.00 C ATOM 251 C TYR A 16 -0.943 -7.397 -4.942 1.00 0.00 C ATOM 252 O TYR A 16 -0.067 -7.647 -4.114 1.00 0.00 O ATOM 253 CB TYR A 16 -0.105 -6.223 -6.987 1.00 0.00 C ATOM 254 CG TYR A 16 0.926 -6.422 -8.071 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.266 -6.591 -7.754 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.558 -6.446 -9.410 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.213 -6.776 -8.743 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.498 -6.631 -10.404 1.00 0.00 C ATOM 259 CZ TYR A 16 2.825 -6.795 -10.066 1.00 0.00 C ATOM 260 OH TYR A 16 3.767 -6.976 -11.053 1.00 0.00 O ATOM 0 H TYR A 16 -2.121 -7.244 -7.904 1.00 0.00 H new ATOM 0 HA TYR A 16 0.074 -8.325 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.926 -5.625 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.341 -5.653 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.574 -6.578 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.480 -6.318 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.253 -6.905 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.196 -6.647 -11.441 1.00 0.00 H new ATOM 0 HH TYR A 16 3.329 -6.965 -11.929 1.00 0.00 H new ATOM 270 N CYS A 17 -2.165 -7.003 -4.599 1.00 0.00 N ATOM 271 CA CYS A 17 -2.540 -6.850 -3.198 1.00 0.00 C ATOM 272 C CYS A 17 -2.431 -8.188 -2.479 1.00 0.00 C ATOM 273 O CYS A 17 -1.736 -8.312 -1.470 1.00 0.00 O ATOM 274 CB CYS A 17 -3.968 -6.308 -3.080 1.00 0.00 C ATOM 275 SG CYS A 17 -4.137 -4.561 -3.512 1.00 0.00 S ATOM 0 H CYS A 17 -2.906 -6.786 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.858 -6.138 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.622 -6.895 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.316 -6.453 -2.057 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.213 -4.081 -2.964 1.00 0.00 H new ATOM 281 N ASP A 18 -3.116 -9.189 -3.018 1.00 0.00 N ATOM 282 CA ASP A 18 -3.104 -10.529 -2.445 1.00 0.00 C ATOM 283 C ASP A 18 -1.676 -11.041 -2.264 1.00 0.00 C ATOM 284 O ASP A 18 -1.393 -11.808 -1.344 1.00 0.00 O ATOM 285 CB ASP A 18 -3.891 -11.487 -3.342 1.00 0.00 C ATOM 286 CG ASP A 18 -5.371 -11.159 -3.373 1.00 0.00 C ATOM 287 OD1 ASP A 18 -6.085 -11.552 -2.426 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.816 -10.510 -4.343 1.00 0.00 O ATOM 0 H ASP A 18 -3.690 -9.097 -3.856 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.574 -10.481 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.490 -11.445 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.755 -12.509 -2.987 1.00 0.00 H new ATOM 293 N ASN A 19 -0.780 -10.615 -3.151 1.00 0.00 N ATOM 294 CA ASN A 19 0.617 -11.032 -3.093 1.00 0.00 C ATOM 295 C ASN A 19 1.308 -10.467 -1.855 1.00 0.00 C ATOM 296 O ASN A 19 1.809 -11.214 -1.016 1.00 0.00 O ATOM 297 CB ASN A 19 1.359 -10.583 -4.354 1.00 0.00 C ATOM 298 CG ASN A 19 0.980 -11.407 -5.570 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.624 -12.579 -5.453 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.055 -10.795 -6.747 1.00 0.00 N ATOM 0 H ASN A 19 -0.998 -9.980 -3.919 1.00 0.00 H new ATOM 0 HA ASN A 19 0.640 -12.120 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.140 -9.533 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.433 -10.659 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.812 -11.299 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.355 -9.822 -6.797 1.00 0.00 H new ATOM 307 N ALA A 20 1.333 -9.142 -1.750 1.00 0.00 N ATOM 308 CA ALA A 20 1.965 -8.474 -0.618 1.00 0.00 C ATOM 309 C ALA A 20 1.410 -8.986 0.708 1.00 0.00 C ATOM 310 O ALA A 20 2.160 -9.219 1.656 1.00 0.00 O ATOM 311 CB ALA A 20 1.777 -6.969 -0.725 1.00 0.00 C ATOM 0 H ALA A 20 0.922 -8.509 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 20 3.031 -8.701 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.253 -6.481 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.230 -6.610 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.712 -6.735 -0.728 1.00 0.00 H new ATOM 317 N LYS A 21 0.095 -9.171 0.765 1.00 0.00 N ATOM 318 CA LYS A 21 -0.556 -9.659 1.976 1.00 0.00 C ATOM 319 C LYS A 21 -0.052 -11.053 2.327 1.00 0.00 C ATOM 320 O LYS A 21 0.480 -11.277 3.415 1.00 0.00 O ATOM 321 CB LYS A 21 -2.076 -9.688 1.788 1.00 0.00 C ATOM 322 CG LYS A 21 -2.854 -9.320 3.042 1.00 0.00 C ATOM 323 CD LYS A 21 -3.333 -10.556 3.785 1.00 0.00 C ATOM 324 CE LYS A 21 -4.129 -10.186 5.028 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.290 -11.095 5.236 1.00 0.00 N ATOM 0 H LYS A 21 -0.540 -8.991 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.312 -8.980 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.347 -9.000 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.374 -10.686 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.224 -8.721 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.710 -8.702 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.951 -11.163 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.476 -11.166 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.477 -10.224 5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.483 -9.159 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.806 -10.809 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.926 -11.040 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.951 -12.072 5.346 1.00 0.00 H new ATOM 339 N ARG A 22 -0.212 -11.987 1.394 1.00 0.00 N ATOM 340 CA ARG A 22 0.235 -13.361 1.601 1.00 0.00 C ATOM 341 C ARG A 22 1.724 -13.388 1.923 1.00 0.00 C ATOM 342 O ARG A 22 2.175 -14.151 2.777 1.00 0.00 O ATOM 343 CB ARG A 22 -0.047 -14.209 0.359 1.00 0.00 C ATOM 344 CG ARG A 22 0.390 -15.659 0.500 1.00 0.00 C ATOM 345 CD ARG A 22 -0.392 -16.571 -0.432 1.00 0.00 C ATOM 346 NE ARG A 22 0.385 -17.740 -0.835 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.028 -18.630 -1.734 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.207 -18.487 -2.326 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.741 -19.666 -2.044 1.00 0.00 N ATOM 0 H ARG A 22 -0.648 -11.818 0.487 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.317 -13.780 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.115 -14.179 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.463 -13.766 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.455 -15.742 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.249 -15.984 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.306 -16.897 0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.692 -16.012 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 22 1.298 -17.883 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.802 -17.692 -2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.518 -19.172 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.649 -19.780 -1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.424 -20.348 -2.733 1.00 0.00 H new ATOM 363 N LEU A 23 2.479 -12.532 1.241 1.00 0.00 N ATOM 364 CA LEU A 23 3.917 -12.433 1.454 1.00 0.00 C ATOM 365 C LEU A 23 4.212 -12.122 2.916 1.00 0.00 C ATOM 366 O LEU A 23 4.963 -12.837 3.578 1.00 0.00 O ATOM 367 CB LEU A 23 4.502 -11.342 0.548 1.00 0.00 C ATOM 368 CG LEU A 23 5.905 -10.852 0.919 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.602 -10.272 -0.301 1.00 0.00 C ATOM 370 CD2 LEU A 23 5.832 -9.816 2.032 1.00 0.00 C ATOM 0 H LEU A 23 2.115 -11.894 0.533 1.00 0.00 H new ATOM 0 HA LEU A 23 4.381 -13.387 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.528 -11.720 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.825 -10.488 0.555 1.00 0.00 H new ATOM 0 HG LEU A 23 6.484 -11.703 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.598 -9.928 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.686 -11.039 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.023 -9.433 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.838 -9.479 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.237 -8.966 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.368 -10.260 2.913 1.00 0.00 H new ATOM 382 N LEU A 24 3.601 -11.052 3.414 1.00 0.00 N ATOM 383 CA LEU A 24 3.784 -10.642 4.801 1.00 0.00 C ATOM 384 C LEU A 24 3.395 -11.770 5.750 1.00 0.00 C ATOM 385 O LEU A 24 4.119 -12.074 6.698 1.00 0.00 O ATOM 386 CB LEU A 24 2.951 -9.396 5.095 1.00 0.00 C ATOM 387 CG LEU A 24 3.489 -8.106 4.476 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.347 -7.186 4.081 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.425 -7.404 5.444 1.00 0.00 C ATOM 0 H LEU A 24 2.974 -10.453 2.877 1.00 0.00 H new ATOM 0 HA LEU A 24 4.837 -10.408 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.936 -9.561 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.887 -9.265 6.175 1.00 0.00 H new ATOM 0 HG LEU A 24 4.049 -8.364 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.750 -6.273 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.710 -7.688 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.760 -6.935 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.799 -6.487 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.886 -7.160 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.263 -8.060 5.680 1.00 0.00 H new ATOM 401 N THR A 25 2.253 -12.397 5.480 1.00 0.00 N ATOM 402 CA THR A 25 1.778 -13.501 6.304 1.00 0.00 C ATOM 403 C THR A 25 2.816 -14.616 6.329 1.00 0.00 C ATOM 404 O THR A 25 3.019 -15.273 7.351 1.00 0.00 O ATOM 405 CB THR A 25 0.447 -14.032 5.768 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.423 -12.963 5.441 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.278 -14.931 6.748 1.00 0.00 C ATOM 0 H THR A 25 1.642 -12.159 4.699 1.00 0.00 H new ATOM 0 HA THR A 25 1.623 -13.138 7.320 1.00 0.00 H new ATOM 0 HB THR A 25 0.704 -14.617 4.885 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.107 -12.522 4.625 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.214 -15.272 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.348 -15.792 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.491 -14.376 7.662 1.00 0.00 H new ATOM 415 N VAL A 26 3.483 -14.808 5.196 1.00 0.00 N ATOM 416 CA VAL A 26 4.518 -15.826 5.072 1.00 0.00 C ATOM 417 C VAL A 26 5.827 -15.331 5.679 1.00 0.00 C ATOM 418 O VAL A 26 6.622 -16.117 6.195 1.00 0.00 O ATOM 419 CB VAL A 26 4.754 -16.203 3.595 1.00 0.00 C ATOM 420 CG1 VAL A 26 5.797 -17.304 3.480 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.449 -16.626 2.938 1.00 0.00 C ATOM 0 H VAL A 26 3.323 -14.268 4.346 1.00 0.00 H new ATOM 0 HA VAL A 26 4.177 -16.710 5.611 1.00 0.00 H new ATOM 0 HB VAL A 26 5.131 -15.324 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.948 -17.554 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.738 -16.960 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.454 -18.188 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.634 -16.888 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.041 -17.490 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.735 -15.803 2.983 1.00 0.00 H new ATOM 431 N LYS A 27 6.038 -14.019 5.617 1.00 0.00 N ATOM 432 CA LYS A 27 7.243 -13.406 6.164 1.00 0.00 C ATOM 433 C LYS A 27 7.164 -13.312 7.688 1.00 0.00 C ATOM 434 O LYS A 27 8.176 -13.115 8.360 1.00 0.00 O ATOM 435 CB LYS A 27 7.448 -12.013 5.561 1.00 0.00 C ATOM 436 CG LYS A 27 8.765 -11.853 4.814 1.00 0.00 C ATOM 437 CD LYS A 27 8.560 -11.849 3.306 1.00 0.00 C ATOM 438 CE LYS A 27 9.478 -12.846 2.615 1.00 0.00 C ATOM 439 NZ LYS A 27 8.889 -13.364 1.349 1.00 0.00 N ATOM 0 H LYS A 27 5.387 -13.359 5.192 1.00 0.00 H new ATOM 0 HA LYS A 27 8.094 -14.036 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.626 -11.799 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.401 -11.272 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.245 -10.923 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.439 -12.665 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.522 -12.091 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.747 -10.849 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.435 -12.370 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.680 -13.679 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.547 -14.040 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.988 -13.842 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.720 -12.573 0.696 1.00 0.00 H new ATOM 453 N LYS A 28 5.953 -13.456 8.230 1.00 0.00 N ATOM 454 CA LYS A 28 5.740 -13.388 9.675 1.00 0.00 C ATOM 455 C LYS A 28 5.878 -11.954 10.181 1.00 0.00 C ATOM 456 O LYS A 28 6.694 -11.668 11.057 1.00 0.00 O ATOM 457 CB LYS A 28 6.731 -14.299 10.407 1.00 0.00 C ATOM 458 CG LYS A 28 6.217 -14.808 11.744 1.00 0.00 C ATOM 459 CD LYS A 28 6.715 -16.215 12.033 1.00 0.00 C ATOM 460 CE LYS A 28 6.220 -17.206 10.993 1.00 0.00 C ATOM 461 NZ LYS A 28 6.047 -18.572 11.562 1.00 0.00 N ATOM 0 H LYS A 28 5.105 -13.621 7.688 1.00 0.00 H new ATOM 0 HA LYS A 28 4.726 -13.730 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.967 -15.151 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.661 -13.754 10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.540 -14.136 12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.127 -14.800 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.805 -16.220 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.378 -16.525 13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.270 -16.860 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.927 -17.245 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.708 -19.217 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.959 -18.914 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.353 -18.540 12.336 1.00 0.00 H new ATOM 475 N GLN A 29 5.072 -11.054 9.624 1.00 0.00 N ATOM 476 CA GLN A 29 5.113 -9.656 10.022 1.00 0.00 C ATOM 477 C GLN A 29 3.708 -9.065 10.125 1.00 0.00 C ATOM 478 O GLN A 29 2.855 -9.325 9.277 1.00 0.00 O ATOM 479 CB GLN A 29 5.937 -8.847 9.017 1.00 0.00 C ATOM 480 CG GLN A 29 7.417 -8.772 9.359 1.00 0.00 C ATOM 481 CD GLN A 29 7.684 -8.110 10.698 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.768 -8.776 11.729 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.821 -6.789 10.689 1.00 0.00 N ATOM 0 H GLN A 29 4.387 -11.269 8.900 1.00 0.00 H new ATOM 0 HA GLN A 29 5.580 -9.603 11.006 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.824 -9.290 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.534 -7.836 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.833 -9.779 9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.937 -8.219 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.744 -6.274 9.812 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.003 -6.289 11.559 1.00 0.00 H new ATOM 492 N PRO A 30 3.452 -8.244 11.160 1.00 0.00 N ATOM 493 CA PRO A 30 2.150 -7.603 11.354 1.00 0.00 C ATOM 494 C PRO A 30 2.001 -6.378 10.465 1.00 0.00 C ATOM 495 O PRO A 30 2.951 -5.619 10.287 1.00 0.00 O ATOM 496 CB PRO A 30 2.200 -7.187 12.820 1.00 0.00 C ATOM 497 CG PRO A 30 3.634 -6.858 13.041 1.00 0.00 C ATOM 498 CD PRO A 30 4.411 -7.855 12.216 1.00 0.00 C ATOM 0 HA PRO A 30 1.312 -8.254 11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.557 -6.329 13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.867 -7.991 13.477 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.854 -5.836 12.731 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.895 -6.934 14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.314 -7.412 11.796 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.724 -8.713 12.811 1.00 0.00 H new ATOM 506 N PHE A 31 0.817 -6.183 9.900 1.00 0.00 N ATOM 507 CA PHE A 31 0.589 -5.042 9.027 1.00 0.00 C ATOM 508 C PHE A 31 -0.893 -4.723 8.873 1.00 0.00 C ATOM 509 O PHE A 31 -1.754 -5.492 9.301 1.00 0.00 O ATOM 510 CB PHE A 31 1.194 -5.299 7.666 1.00 0.00 C ATOM 511 CG PHE A 31 0.531 -6.435 6.966 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.793 -7.729 7.357 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.374 -6.209 5.949 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.165 -8.790 6.746 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.007 -7.263 5.325 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.738 -8.561 5.726 1.00 0.00 C ATOM 0 H PHE A 31 0.009 -6.792 10.029 1.00 0.00 H new ATOM 0 HA PHE A 31 1.069 -4.181 9.491 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.111 -4.399 7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.257 -5.512 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.500 -7.913 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.588 -5.197 5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.378 -9.800 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.710 -7.077 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.232 -9.391 5.243 1.00 0.00 H new ATOM 526 N GLU A 32 -1.180 -3.588 8.239 1.00 0.00 N ATOM 527 CA GLU A 32 -2.560 -3.174 8.009 1.00 0.00 C ATOM 528 C GLU A 32 -2.712 -2.520 6.642 1.00 0.00 C ATOM 529 O GLU A 32 -1.869 -1.728 6.221 1.00 0.00 O ATOM 530 CB GLU A 32 -3.024 -2.210 9.101 1.00 0.00 C ATOM 531 CG GLU A 32 -4.536 -2.082 9.194 1.00 0.00 C ATOM 532 CD GLU A 32 -5.042 -2.141 10.622 1.00 0.00 C ATOM 533 OE1 GLU A 32 -4.379 -2.785 11.462 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.102 -1.542 10.901 1.00 0.00 O ATOM 0 H GLU A 32 -0.478 -2.942 7.877 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.184 -4.067 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.636 -2.548 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.595 -1.226 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.845 -1.139 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.000 -2.880 8.615 1.00 0.00 H new ATOM 541 N PHE A 33 -3.794 -2.864 5.953 1.00 0.00 N ATOM 542 CA PHE A 33 -4.070 -2.325 4.636 1.00 0.00 C ATOM 543 C PHE A 33 -4.881 -1.037 4.736 1.00 0.00 C ATOM 544 O PHE A 33 -5.532 -0.779 5.748 1.00 0.00 O ATOM 545 CB PHE A 33 -4.836 -3.363 3.820 1.00 0.00 C ATOM 546 CG PHE A 33 -4.887 -3.058 2.358 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.839 -3.415 1.535 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.982 -2.419 1.812 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.880 -3.139 0.183 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.032 -2.136 0.460 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.976 -2.498 -0.357 1.00 0.00 C ATOM 0 H PHE A 33 -4.497 -3.520 6.293 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.126 -2.093 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.372 -4.339 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.854 -3.435 4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.978 -3.915 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.808 -2.137 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.054 -3.425 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.892 -1.634 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.009 -2.280 -1.414 1.00 0.00 H new ATOM 561 N ILE A 34 -4.845 -0.237 3.676 1.00 0.00 N ATOM 562 CA ILE A 34 -5.585 1.017 3.633 1.00 0.00 C ATOM 563 C ILE A 34 -6.120 1.270 2.234 1.00 0.00 C ATOM 564 O ILE A 34 -5.363 1.371 1.269 1.00 0.00 O ATOM 565 CB ILE A 34 -4.731 2.218 4.079 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.906 1.849 5.312 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.622 3.416 4.371 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.856 2.877 5.671 1.00 0.00 C ATOM 0 H ILE A 34 -4.308 -0.437 2.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.413 0.917 4.335 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.048 2.484 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.577 1.716 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.418 0.890 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.007 4.259 4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.175 3.686 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.324 3.163 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.311 2.547 6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.161 2.993 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.338 3.833 5.878 1.00 0.00 H new ATOM 580 N ASN A 35 -7.434 1.352 2.140 1.00 0.00 N ATOM 581 CA ASN A 35 -8.109 1.576 0.867 1.00 0.00 C ATOM 582 C ASN A 35 -8.091 3.050 0.480 1.00 0.00 C ATOM 583 O ASN A 35 -8.339 3.926 1.308 1.00 0.00 O ATOM 584 CB ASN A 35 -9.551 1.070 0.935 1.00 0.00 C ATOM 585 CG ASN A 35 -10.286 1.581 2.160 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.469 2.785 2.332 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.711 0.662 3.019 1.00 0.00 N ATOM 0 H ASN A 35 -8.064 1.266 2.937 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.569 1.019 0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.085 1.382 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.551 -0.020 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.211 0.944 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.537 -0.326 2.836 1.00 0.00 H new ATOM 594 N ILE A 36 -7.796 3.311 -0.789 1.00 0.00 N ATOM 595 CA ILE A 36 -7.744 4.674 -1.302 1.00 0.00 C ATOM 596 C ILE A 36 -9.056 5.063 -1.991 1.00 0.00 C ATOM 597 O ILE A 36 -9.330 6.244 -2.194 1.00 0.00 O ATOM 598 CB ILE A 36 -6.578 4.850 -2.293 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.722 3.870 -3.458 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.245 4.650 -1.587 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.359 4.468 -4.799 1.00 0.00 C ATOM 0 H ILE A 36 -7.589 2.593 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.588 5.330 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.607 5.865 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.089 3.002 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.751 3.512 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.432 4.778 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.143 5.383 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.203 3.645 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.485 3.717 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.009 5.318 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.321 4.801 -4.780 1.00 0.00 H new ATOM 613 N MET A 37 -9.867 4.061 -2.340 1.00 0.00 N ATOM 614 CA MET A 37 -11.154 4.299 -2.996 1.00 0.00 C ATOM 615 C MET A 37 -12.264 3.505 -2.302 1.00 0.00 C ATOM 616 O MET A 37 -12.523 2.356 -2.659 1.00 0.00 O ATOM 617 CB MET A 37 -11.087 3.913 -4.486 1.00 0.00 C ATOM 618 CG MET A 37 -12.394 4.126 -5.240 1.00 0.00 C ATOM 619 SD MET A 37 -12.173 4.839 -6.890 1.00 0.00 S ATOM 620 CE MET A 37 -11.018 3.682 -7.628 1.00 0.00 C ATOM 0 H MET A 37 -9.654 3.077 -2.179 1.00 0.00 H new ATOM 0 HA MET A 37 -11.380 5.363 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.302 4.497 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.799 2.865 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.910 3.170 -5.333 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.039 4.781 -4.654 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.294 3.505 -8.668 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.011 4.096 -7.586 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.046 2.740 -7.080 1.00 0.00 H new ATOM 630 N PRO A 38 -12.933 4.096 -1.289 1.00 0.00 N ATOM 631 CA PRO A 38 -14.006 3.420 -0.546 1.00 0.00 C ATOM 632 C PRO A 38 -15.285 3.243 -1.363 1.00 0.00 C ATOM 633 O PRO A 38 -16.244 2.628 -0.896 1.00 0.00 O ATOM 634 CB PRO A 38 -14.275 4.345 0.653 1.00 0.00 C ATOM 635 CG PRO A 38 -13.172 5.351 0.649 1.00 0.00 C ATOM 636 CD PRO A 38 -12.694 5.451 -0.772 1.00 0.00 C ATOM 0 HA PRO A 38 -13.705 2.410 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.247 4.830 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.287 3.782 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.526 6.317 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.362 5.042 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.249 6.203 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.640 5.725 -0.827 1.00 0.00 H new ATOM 644 N GLU A 39 -15.304 3.785 -2.577 1.00 0.00 N ATOM 645 CA GLU A 39 -16.478 3.678 -3.434 1.00 0.00 C ATOM 646 C GLU A 39 -16.078 3.420 -4.881 1.00 0.00 C ATOM 647 O GLU A 39 -15.070 3.936 -5.358 1.00 0.00 O ATOM 648 CB GLU A 39 -17.313 4.958 -3.348 1.00 0.00 C ATOM 649 CG GLU A 39 -18.812 4.713 -3.399 1.00 0.00 C ATOM 650 CD GLU A 39 -19.397 4.962 -4.775 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.537 6.144 -5.156 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.714 3.976 -5.473 1.00 0.00 O ATOM 0 H GLU A 39 -14.524 4.300 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.074 2.834 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.070 5.478 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.034 5.620 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.019 3.685 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.307 5.360 -2.675 1.00 0.00 H new ATOM 659 N LYS A 40 -16.878 2.618 -5.579 1.00 0.00 N ATOM 660 CA LYS A 40 -16.599 2.292 -6.974 1.00 0.00 C ATOM 661 C LYS A 40 -16.762 3.502 -7.885 1.00 0.00 C ATOM 662 O LYS A 40 -16.414 3.464 -9.066 1.00 0.00 O ATOM 663 CB LYS A 40 -17.492 1.148 -7.451 1.00 0.00 C ATOM 664 CG LYS A 40 -16.879 0.334 -8.578 1.00 0.00 C ATOM 665 CD LYS A 40 -17.399 -1.093 -8.579 1.00 0.00 C ATOM 666 CE LYS A 40 -18.730 -1.199 -9.304 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.484 -2.417 -8.904 1.00 0.00 N ATOM 0 H LYS A 40 -17.721 2.184 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.558 1.975 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.705 0.488 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.446 1.556 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.105 0.806 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.794 0.327 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.670 -1.747 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.514 -1.440 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.330 -0.314 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.557 -1.216 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.386 -2.452 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.922 -3.263 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.672 -2.389 -7.881 1.00 0.00 H new ATOM 681 N GLY A 41 -17.284 4.566 -7.321 1.00 0.00 N ATOM 682 CA GLY A 41 -17.492 5.794 -8.068 1.00 0.00 C ATOM 683 C GLY A 41 -16.319 6.749 -7.944 1.00 0.00 C ATOM 684 O GLY A 41 -15.716 7.135 -8.946 1.00 0.00 O ATOM 0 H GLY A 41 -17.575 4.610 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.653 5.554 -9.119 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.397 6.285 -7.711 1.00 0.00 H new ATOM 688 N VAL A 42 -15.993 7.129 -6.710 1.00 0.00 N ATOM 689 CA VAL A 42 -14.888 8.048 -6.463 1.00 0.00 C ATOM 690 C VAL A 42 -14.115 7.691 -5.196 1.00 0.00 C ATOM 691 O VAL A 42 -14.705 7.312 -4.184 1.00 0.00 O ATOM 692 CB VAL A 42 -15.385 9.497 -6.313 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.209 10.458 -6.258 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.339 9.868 -7.438 1.00 0.00 C ATOM 0 H VAL A 42 -16.478 6.815 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.232 7.960 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.935 9.573 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.578 11.478 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.576 10.210 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.629 10.376 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.674 10.897 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.827 9.773 -8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.201 9.201 -7.419 1.00 0.00 H new ATOM 704 N PHE A 43 -12.791 7.831 -5.254 1.00 0.00 N ATOM 705 CA PHE A 43 -11.943 7.542 -4.097 1.00 0.00 C ATOM 706 C PHE A 43 -12.077 8.618 -3.017 1.00 0.00 C ATOM 707 O PHE A 43 -12.626 9.693 -3.260 1.00 0.00 O ATOM 708 CB PHE A 43 -10.470 7.416 -4.502 1.00 0.00 C ATOM 709 CG PHE A 43 -10.086 8.240 -5.694 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.308 9.606 -5.710 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.496 7.645 -6.791 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.946 10.368 -6.804 1.00 0.00 C ATOM 713 CE2 PHE A 43 -9.132 8.398 -7.892 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.356 9.763 -7.898 1.00 0.00 C ATOM 0 H PHE A 43 -12.285 8.141 -6.084 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.285 6.590 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.847 7.708 -3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.251 6.369 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.770 10.082 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.317 6.580 -6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.123 11.433 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.674 7.921 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.071 10.355 -8.755 1.00 0.00 H new ATOM 724 N ASP A 44 -11.558 8.320 -1.822 1.00 0.00 N ATOM 725 CA ASP A 44 -11.613 9.257 -0.697 1.00 0.00 C ATOM 726 C ASP A 44 -10.369 10.149 -0.652 1.00 0.00 C ATOM 727 O ASP A 44 -9.299 9.714 -0.229 1.00 0.00 O ATOM 728 CB ASP A 44 -11.745 8.496 0.626 1.00 0.00 C ATOM 729 CG ASP A 44 -10.691 7.415 0.789 1.00 0.00 C ATOM 730 OD1 ASP A 44 -9.789 7.331 -0.070 1.00 0.00 O ATOM 731 OD2 ASP A 44 -10.768 6.655 1.776 1.00 0.00 O ATOM 0 H ASP A 44 -11.095 7.436 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.488 9.891 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.668 9.200 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.735 8.044 0.683 1.00 0.00 H new ATOM 736 N ASP A 45 -10.517 11.399 -1.082 1.00 0.00 N ATOM 737 CA ASP A 45 -9.404 12.349 -1.088 1.00 0.00 C ATOM 738 C ASP A 45 -8.748 12.460 0.289 1.00 0.00 C ATOM 739 O ASP A 45 -7.578 12.829 0.397 1.00 0.00 O ATOM 740 CB ASP A 45 -9.890 13.729 -1.537 1.00 0.00 C ATOM 741 CG ASP A 45 -10.012 13.838 -3.045 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.235 12.797 -3.697 1.00 0.00 O ATOM 743 OD2 ASP A 45 -9.882 14.962 -3.571 1.00 0.00 O ATOM 0 H ASP A 45 -11.396 11.780 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.658 11.976 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.858 13.936 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.198 14.490 -1.175 1.00 0.00 H new ATOM 748 N GLU A 46 -9.504 12.146 1.338 1.00 0.00 N ATOM 749 CA GLU A 46 -8.986 12.217 2.702 1.00 0.00 C ATOM 750 C GLU A 46 -7.738 11.356 2.858 1.00 0.00 C ATOM 751 O GLU A 46 -6.711 11.815 3.360 1.00 0.00 O ATOM 752 CB GLU A 46 -10.054 11.774 3.702 1.00 0.00 C ATOM 753 CG GLU A 46 -9.718 12.117 5.143 1.00 0.00 C ATOM 754 CD GLU A 46 -10.364 11.169 6.136 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.231 9.940 5.955 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.001 11.655 7.093 1.00 0.00 O ATOM 0 H GLU A 46 -10.475 11.841 1.270 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.717 13.254 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.003 12.241 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.195 10.696 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.636 12.093 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.043 13.136 5.355 1.00 0.00 H new ATOM 763 N LYS A 47 -7.832 10.106 2.419 1.00 0.00 N ATOM 764 CA LYS A 47 -6.706 9.183 2.502 1.00 0.00 C ATOM 765 C LYS A 47 -5.676 9.502 1.427 1.00 0.00 C ATOM 766 O LYS A 47 -4.475 9.316 1.623 1.00 0.00 O ATOM 767 CB LYS A 47 -7.189 7.739 2.353 1.00 0.00 C ATOM 768 CG LYS A 47 -8.114 7.289 3.472 1.00 0.00 C ATOM 769 CD LYS A 47 -7.349 7.038 4.760 1.00 0.00 C ATOM 770 CE LYS A 47 -8.279 6.998 5.961 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.315 8.302 6.680 1.00 0.00 N ATOM 0 H LYS A 47 -8.674 9.709 2.003 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.238 9.298 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.708 7.635 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.324 7.077 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.877 8.049 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.633 6.378 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.808 6.094 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.604 7.822 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.285 6.737 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.954 6.215 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.146 8.144 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.578 8.929 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.247 8.745 6.550 1.00 0.00 H new ATOM 785 N ILE A 48 -6.158 9.991 0.292 1.00 0.00 N ATOM 786 CA ILE A 48 -5.292 10.346 -0.825 1.00 0.00 C ATOM 787 C ILE A 48 -4.373 11.507 -0.457 1.00 0.00 C ATOM 788 O ILE A 48 -3.170 11.465 -0.714 1.00 0.00 O ATOM 789 CB ILE A 48 -6.128 10.742 -2.060 1.00 0.00 C ATOM 790 CG1 ILE A 48 -7.052 9.593 -2.468 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.227 11.144 -3.218 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.316 8.370 -2.968 1.00 0.00 C ATOM 0 H ILE A 48 -7.150 10.152 0.120 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.688 9.470 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.742 11.603 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.667 9.312 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.730 9.942 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.839 11.419 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.613 11.995 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.582 10.307 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.036 7.597 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.722 8.635 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.659 7.995 -2.184 1.00 0.00 H new ATOM 804 N ALA A 49 -4.952 12.544 0.137 1.00 0.00 N ATOM 805 CA ALA A 49 -4.190 13.720 0.532 1.00 0.00 C ATOM 806 C ALA A 49 -3.160 13.371 1.598 1.00 0.00 C ATOM 807 O ALA A 49 -1.965 13.620 1.427 1.00 0.00 O ATOM 808 CB ALA A 49 -5.125 14.810 1.035 1.00 0.00 C ATOM 0 H ALA A 49 -5.947 12.593 0.355 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.657 14.090 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.542 15.683 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.821 15.087 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.683 14.442 1.896 1.00 0.00 H new ATOM 814 N GLU A 50 -3.627 12.794 2.701 1.00 0.00 N ATOM 815 CA GLU A 50 -2.740 12.412 3.793 1.00 0.00 C ATOM 816 C GLU A 50 -1.649 11.470 3.294 1.00 0.00 C ATOM 817 O GLU A 50 -0.524 11.487 3.794 1.00 0.00 O ATOM 818 CB GLU A 50 -3.534 11.758 4.929 1.00 0.00 C ATOM 819 CG GLU A 50 -3.973 10.331 4.637 1.00 0.00 C ATOM 820 CD GLU A 50 -5.059 9.855 5.583 1.00 0.00 C ATOM 821 OE1 GLU A 50 -6.116 10.518 5.656 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.852 8.821 6.251 1.00 0.00 O ATOM 0 H GLU A 50 -4.612 12.581 2.862 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.266 13.314 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.925 11.762 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.416 12.363 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.336 10.268 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.112 9.666 4.712 1.00 0.00 H new ATOM 829 N LEU A 51 -1.984 10.658 2.293 1.00 0.00 N ATOM 830 CA LEU A 51 -1.026 9.723 1.724 1.00 0.00 C ATOM 831 C LEU A 51 0.157 10.478 1.131 1.00 0.00 C ATOM 832 O LEU A 51 1.299 10.273 1.535 1.00 0.00 O ATOM 833 CB LEU A 51 -1.694 8.861 0.649 1.00 0.00 C ATOM 834 CG LEU A 51 -0.739 8.024 -0.205 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.205 7.221 0.674 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.520 7.100 -1.122 1.00 0.00 C ATOM 0 H LEU A 51 -2.909 10.631 1.863 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.665 9.070 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.404 8.191 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.269 9.512 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.145 8.702 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.875 6.633 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.791 7.900 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.373 6.553 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.826 6.512 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.139 6.431 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.157 7.692 -1.779 1.00 0.00 H new ATOM 848 N LEU A 52 -0.134 11.363 0.178 1.00 0.00 N ATOM 849 CA LEU A 52 0.886 12.170 -0.473 1.00 0.00 C ATOM 850 C LEU A 52 1.874 12.733 0.538 1.00 0.00 C ATOM 851 O LEU A 52 3.082 12.758 0.305 1.00 0.00 O ATOM 852 CB LEU A 52 0.219 13.280 -1.233 1.00 0.00 C ATOM 853 CG LEU A 52 -0.483 12.789 -2.481 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.226 13.919 -3.111 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.519 12.185 -3.450 1.00 0.00 C ATOM 0 H LEU A 52 -1.080 11.537 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 52 1.450 11.540 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.504 13.776 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.964 14.026 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.196 12.009 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.732 13.566 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.964 14.306 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.526 14.712 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.002 11.837 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.254 12.939 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.025 11.345 -2.974 1.00 0.00 H new ATOM 867 N THR A 53 1.339 13.171 1.668 1.00 0.00 N ATOM 868 CA THR A 53 2.156 13.726 2.740 1.00 0.00 C ATOM 869 C THR A 53 2.980 12.626 3.401 1.00 0.00 C ATOM 870 O THR A 53 4.122 12.847 3.806 1.00 0.00 O ATOM 871 CB THR A 53 1.274 14.416 3.781 1.00 0.00 C ATOM 872 OG1 THR A 53 0.468 15.411 3.176 1.00 0.00 O ATOM 873 CG2 THR A 53 2.063 15.077 4.891 1.00 0.00 C ATOM 0 H THR A 53 0.339 13.153 1.868 1.00 0.00 H new ATOM 0 HA THR A 53 2.833 14.464 2.310 1.00 0.00 H new ATOM 0 HB THR A 53 0.664 13.623 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.090 15.839 3.858 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.377 15.548 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.658 14.326 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.723 15.834 4.467 1.00 0.00 H new ATOM 881 N LYS A 54 2.391 11.438 3.500 1.00 0.00 N ATOM 882 CA LYS A 54 3.064 10.294 4.104 1.00 0.00 C ATOM 883 C LYS A 54 4.341 9.954 3.339 1.00 0.00 C ATOM 884 O LYS A 54 5.374 9.657 3.939 1.00 0.00 O ATOM 885 CB LYS A 54 2.128 9.079 4.132 1.00 0.00 C ATOM 886 CG LYS A 54 2.332 8.186 5.345 1.00 0.00 C ATOM 887 CD LYS A 54 1.132 7.285 5.582 1.00 0.00 C ATOM 888 CE LYS A 54 0.983 6.930 7.052 1.00 0.00 C ATOM 889 NZ LYS A 54 0.152 7.926 7.783 1.00 0.00 N ATOM 0 H LYS A 54 1.446 11.243 3.169 1.00 0.00 H new ATOM 0 HA LYS A 54 3.333 10.557 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.095 9.426 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.282 8.491 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.224 7.576 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.505 8.803 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.227 7.783 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.239 6.373 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.530 5.943 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.969 6.872 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.075 7.647 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.597 8.864 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.797 7.964 7.360 1.00 0.00 H new ATOM 903 N LEU A 55 4.262 10.002 2.014 1.00 0.00 N ATOM 904 CA LEU A 55 5.407 9.700 1.163 1.00 0.00 C ATOM 905 C LEU A 55 6.579 10.628 1.464 1.00 0.00 C ATOM 906 O LEU A 55 7.598 10.203 2.008 1.00 0.00 O ATOM 907 CB LEU A 55 5.013 9.820 -0.301 1.00 0.00 C ATOM 908 CG LEU A 55 3.938 8.831 -0.737 1.00 0.00 C ATOM 909 CD1 LEU A 55 2.569 9.472 -0.664 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.214 8.321 -2.135 1.00 0.00 C ATOM 0 H LEU A 55 3.413 10.248 1.504 1.00 0.00 H new ATOM 0 HA LEU A 55 5.722 8.677 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.658 10.833 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.899 9.673 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 55 3.958 7.981 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.813 8.752 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.368 9.785 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.539 10.341 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.435 7.617 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.225 9.159 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.182 7.820 -2.155 1.00 0.00 H new ATOM 922 N GLY A 56 6.428 11.899 1.105 1.00 0.00 N ATOM 923 CA GLY A 56 7.482 12.867 1.342 1.00 0.00 C ATOM 924 C GLY A 56 7.307 14.129 0.520 1.00 0.00 C ATOM 925 O GLY A 56 7.633 15.225 0.974 1.00 0.00 O ATOM 0 H GLY A 56 5.594 12.275 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.501 13.126 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.446 12.415 1.107 1.00 0.00 H new ATOM 929 N ARG A 57 6.794 13.972 -0.697 1.00 0.00 N ATOM 930 CA ARG A 57 6.578 15.104 -1.593 1.00 0.00 C ATOM 931 C ARG A 57 5.105 15.498 -1.631 1.00 0.00 C ATOM 932 O ARG A 57 4.286 14.948 -0.894 1.00 0.00 O ATOM 933 CB ARG A 57 7.062 14.759 -3.003 1.00 0.00 C ATOM 934 CG ARG A 57 8.555 14.485 -3.080 1.00 0.00 C ATOM 935 CD ARG A 57 8.906 13.646 -4.298 1.00 0.00 C ATOM 936 NE ARG A 57 9.463 14.457 -5.378 1.00 0.00 N ATOM 937 CZ ARG A 57 10.196 13.964 -6.373 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.461 12.664 -6.432 1.00 0.00 N ATOM 939 NH2 ARG A 57 10.666 14.773 -7.314 1.00 0.00 N ATOM 0 H ARG A 57 6.520 13.070 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 57 7.150 15.951 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.521 13.883 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.816 15.582 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.098 15.430 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.878 13.969 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.625 12.877 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.013 13.132 -4.654 1.00 0.00 H new ATOM 0 HE ARG A 57 9.279 15.460 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.102 12.037 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.024 12.292 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.465 15.772 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.228 14.396 -8.077 1.00 0.00 H new ATOM 953 N ASP A 58 4.773 16.455 -2.493 1.00 0.00 N ATOM 954 CA ASP A 58 3.399 16.923 -2.626 1.00 0.00 C ATOM 955 C ASP A 58 2.738 16.320 -3.861 1.00 0.00 C ATOM 956 O ASP A 58 1.530 16.080 -3.877 1.00 0.00 O ATOM 957 CB ASP A 58 3.364 18.450 -2.709 1.00 0.00 C ATOM 958 CG ASP A 58 3.210 19.100 -1.347 1.00 0.00 C ATOM 959 OD1 ASP A 58 4.162 19.024 -0.543 1.00 0.00 O ATOM 960 OD2 ASP A 58 2.137 19.684 -1.087 1.00 0.00 O ATOM 0 H ASP A 58 5.438 16.921 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 58 2.844 16.602 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.281 18.807 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.538 18.757 -3.351 1.00 0.00 H new ATOM 965 N THR A 59 3.537 16.076 -4.894 1.00 0.00 N ATOM 966 CA THR A 59 3.029 15.500 -6.133 1.00 0.00 C ATOM 967 C THR A 59 3.430 14.034 -6.255 1.00 0.00 C ATOM 968 O THR A 59 4.243 13.534 -5.476 1.00 0.00 O ATOM 969 CB THR A 59 3.548 16.285 -7.339 1.00 0.00 C ATOM 970 OG1 THR A 59 3.037 15.746 -8.545 1.00 0.00 O ATOM 971 CG2 THR A 59 5.058 16.293 -7.443 1.00 0.00 C ATOM 0 H THR A 59 4.539 16.268 -4.898 1.00 0.00 H new ATOM 0 HA THR A 59 1.941 15.561 -6.112 1.00 0.00 H new ATOM 0 HB THR A 59 3.205 17.308 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.379 16.262 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.359 16.867 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.482 16.748 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.422 15.270 -7.536 1.00 0.00 H new ATOM 979 N GLN A 60 2.857 13.349 -7.240 1.00 0.00 N ATOM 980 CA GLN A 60 3.152 11.938 -7.472 1.00 0.00 C ATOM 981 C GLN A 60 3.669 11.720 -8.890 1.00 0.00 C ATOM 982 O GLN A 60 2.894 11.686 -9.846 1.00 0.00 O ATOM 983 CB GLN A 60 1.902 11.088 -7.237 1.00 0.00 C ATOM 984 CG GLN A 60 0.644 11.671 -7.860 1.00 0.00 C ATOM 985 CD GLN A 60 -0.620 10.992 -7.368 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.959 11.066 -6.186 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.327 10.330 -8.276 1.00 0.00 N ATOM 0 H GLN A 60 2.183 13.750 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 60 3.927 11.633 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.070 10.090 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.747 10.974 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.591 12.736 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.703 11.578 -8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.008 10.295 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.189 9.856 -8.005 1.00 0.00 H new ATOM 996 N ILE A 61 4.982 11.571 -9.017 1.00 0.00 N ATOM 997 CA ILE A 61 5.608 11.359 -10.318 1.00 0.00 C ATOM 998 C ILE A 61 5.484 9.907 -10.762 1.00 0.00 C ATOM 999 O ILE A 61 6.386 9.099 -10.538 1.00 0.00 O ATOM 1000 CB ILE A 61 7.098 11.752 -10.298 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.813 11.075 -9.127 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.246 13.263 -10.214 1.00 0.00 C ATOM 1003 CD1 ILE A 61 9.197 10.570 -9.477 1.00 0.00 C ATOM 0 H ILE A 61 5.635 11.593 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 61 5.081 11.998 -11.026 1.00 0.00 H new ATOM 0 HB ILE A 61 7.560 11.412 -11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.891 11.782 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.208 10.239 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.304 13.525 -10.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.769 13.724 -11.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.771 13.625 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.646 10.102 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.125 9.839 -10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.818 11.405 -9.800 1.00 0.00 H new ATOM 1015 N GLY A 62 4.365 9.585 -11.397 1.00 0.00 N ATOM 1016 CA GLY A 62 4.142 8.233 -11.868 1.00 0.00 C ATOM 1017 C GLY A 62 4.062 7.229 -10.737 1.00 0.00 C ATOM 1018 O GLY A 62 4.377 6.053 -10.919 1.00 0.00 O ATOM 0 H GLY A 62 3.606 10.238 -11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.217 8.201 -12.444 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.949 7.950 -12.544 1.00 0.00 H new ATOM 1022 N LEU A 63 3.645 7.694 -9.563 1.00 0.00 N ATOM 1023 CA LEU A 63 3.525 6.824 -8.396 1.00 0.00 C ATOM 1024 C LEU A 63 2.743 5.555 -8.730 1.00 0.00 C ATOM 1025 O LEU A 63 2.174 5.432 -9.815 1.00 0.00 O ATOM 1026 CB LEU A 63 2.876 7.576 -7.237 1.00 0.00 C ATOM 1027 CG LEU A 63 1.359 7.699 -7.295 1.00 0.00 C ATOM 1028 CD1 LEU A 63 0.895 8.046 -8.701 1.00 0.00 C ATOM 1029 CD2 LEU A 63 0.705 6.416 -6.807 1.00 0.00 C ATOM 0 H LEU A 63 3.385 8.666 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 63 4.528 6.522 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.146 7.076 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.302 8.578 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 63 1.055 8.511 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.192 8.128 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.335 8.996 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.209 7.263 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.379 6.519 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.018 5.585 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.006 6.223 -5.777 1.00 0.00 H new ATOM 1041 N THR A 64 2.723 4.612 -7.796 1.00 0.00 N ATOM 1042 CA THR A 64 2.017 3.355 -8.005 1.00 0.00 C ATOM 1043 C THR A 64 1.356 2.862 -6.721 1.00 0.00 C ATOM 1044 O THR A 64 1.768 3.218 -5.616 1.00 0.00 O ATOM 1045 CB THR A 64 2.977 2.291 -8.538 1.00 0.00 C ATOM 1046 OG1 THR A 64 4.213 2.338 -7.847 1.00 0.00 O ATOM 1047 CG2 THR A 64 3.271 2.436 -10.015 1.00 0.00 C ATOM 0 H THR A 64 3.185 4.693 -6.891 1.00 0.00 H new ATOM 0 HA THR A 64 1.232 3.535 -8.740 1.00 0.00 H new ATOM 0 HB THR A 64 2.471 1.339 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.812 1.649 -8.202 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.958 1.650 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.343 2.353 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.724 3.410 -10.202 1.00 0.00 H new ATOM 1055 N MET A 65 0.328 2.036 -6.881 1.00 0.00 N ATOM 1056 CA MET A 65 -0.396 1.482 -5.749 1.00 0.00 C ATOM 1057 C MET A 65 -0.453 -0.039 -5.842 1.00 0.00 C ATOM 1058 O MET A 65 -0.361 -0.601 -6.933 1.00 0.00 O ATOM 1059 CB MET A 65 -1.811 2.061 -5.694 1.00 0.00 C ATOM 1060 CG MET A 65 -1.840 3.578 -5.598 1.00 0.00 C ATOM 1061 SD MET A 65 -3.072 4.179 -4.427 1.00 0.00 S ATOM 1062 CE MET A 65 -2.596 5.901 -4.291 1.00 0.00 C ATOM 0 H MET A 65 -0.022 1.735 -7.791 1.00 0.00 H new ATOM 0 HA MET A 65 0.132 1.753 -4.835 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.357 1.750 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.335 1.640 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.855 3.938 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.047 3.996 -6.583 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.267 6.410 -3.599 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.573 5.968 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.658 6.374 -5.271 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.598 -0.734 -4.701 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.712 -0.118 -3.373 1.00 0.00 C ATOM 1074 C PRO A 66 0.624 0.397 -2.844 1.00 0.00 C ATOM 1075 O PRO A 66 1.683 -0.150 -3.154 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.223 -1.265 -2.484 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.562 -2.378 -3.420 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.673 -2.191 -4.611 1.00 0.00 C ATOM 0 HA PRO A 66 -1.366 0.754 -3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.462 -1.574 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.096 -0.956 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.392 -3.348 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.613 -2.342 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.308 -2.643 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.097 -2.635 -5.512 1.00 0.00 H new ATOM 1086 N GLN A 67 0.561 1.444 -2.027 1.00 0.00 N ATOM 1087 CA GLN A 67 1.756 2.031 -1.436 1.00 0.00 C ATOM 1088 C GLN A 67 1.900 1.598 0.018 1.00 0.00 C ATOM 1089 O GLN A 67 0.999 1.802 0.827 1.00 0.00 O ATOM 1090 CB GLN A 67 1.700 3.559 -1.524 1.00 0.00 C ATOM 1091 CG GLN A 67 1.103 4.075 -2.826 1.00 0.00 C ATOM 1092 CD GLN A 67 1.949 5.155 -3.474 1.00 0.00 C ATOM 1093 OE1 GLN A 67 1.431 6.178 -3.923 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.256 4.930 -3.532 1.00 0.00 N ATOM 0 H GLN A 67 -0.309 1.904 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 67 2.623 1.678 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.113 3.941 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.708 3.958 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.988 3.244 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.105 4.469 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.643 4.068 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.874 5.619 -3.961 1.00 0.00 H new ATOM 1103 N VAL A 68 3.032 0.988 0.345 1.00 0.00 N ATOM 1104 CA VAL A 68 3.272 0.525 1.704 1.00 0.00 C ATOM 1105 C VAL A 68 4.097 1.533 2.496 1.00 0.00 C ATOM 1106 O VAL A 68 4.679 2.455 1.926 1.00 0.00 O ATOM 1107 CB VAL A 68 3.991 -0.843 1.722 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.805 -1.533 3.065 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.495 -1.733 0.591 1.00 0.00 C ATOM 0 H VAL A 68 3.793 0.804 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 68 2.294 0.416 2.172 1.00 0.00 H new ATOM 0 HB VAL A 68 5.056 -0.665 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.319 -2.494 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.220 -0.908 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.742 -1.692 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.016 -2.690 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.424 -1.899 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.690 -1.248 -0.366 1.00 0.00 H new ATOM 1119 N PHE A 69 4.146 1.350 3.814 1.00 0.00 N ATOM 1120 CA PHE A 69 4.904 2.245 4.681 1.00 0.00 C ATOM 1121 C PHE A 69 5.577 1.469 5.809 1.00 0.00 C ATOM 1122 O PHE A 69 5.012 0.518 6.352 1.00 0.00 O ATOM 1123 CB PHE A 69 3.988 3.323 5.252 1.00 0.00 C ATOM 1124 CG PHE A 69 3.567 4.324 4.223 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.367 5.416 3.940 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.380 4.164 3.527 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.990 6.336 2.980 1.00 0.00 C ATOM 1128 CE2 PHE A 69 1.997 5.078 2.565 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.803 6.167 2.291 1.00 0.00 C ATOM 0 H PHE A 69 3.670 0.591 4.303 1.00 0.00 H new ATOM 0 HA PHE A 69 5.683 2.722 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.103 2.853 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.501 3.837 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.296 5.551 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.747 3.315 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.622 7.186 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.070 4.942 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.506 6.884 1.540 1.00 0.00 H new ATOM 1139 N ALA A 70 6.801 1.870 6.131 1.00 0.00 N ATOM 1140 CA ALA A 70 7.591 1.207 7.169 1.00 0.00 C ATOM 1141 C ALA A 70 6.839 1.103 8.497 1.00 0.00 C ATOM 1142 O ALA A 70 6.238 2.074 8.958 1.00 0.00 O ATOM 1143 CB ALA A 70 8.907 1.941 7.370 1.00 0.00 C ATOM 0 H ALA A 70 7.273 2.657 5.686 1.00 0.00 H new ATOM 0 HA ALA A 70 7.785 0.190 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.488 1.440 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.470 1.941 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.708 2.969 7.673 1.00 0.00 H new ATOM 1149 N PRO A 71 6.887 -0.083 9.141 1.00 0.00 N ATOM 1150 CA PRO A 71 6.233 -0.318 10.437 1.00 0.00 C ATOM 1151 C PRO A 71 6.497 0.812 11.425 1.00 0.00 C ATOM 1152 O PRO A 71 5.690 1.078 12.314 1.00 0.00 O ATOM 1153 CB PRO A 71 6.887 -1.615 10.916 1.00 0.00 C ATOM 1154 CG PRO A 71 7.219 -2.341 9.663 1.00 0.00 C ATOM 1155 CD PRO A 71 7.607 -1.282 8.667 1.00 0.00 C ATOM 0 HA PRO A 71 5.148 -0.373 10.354 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.780 -1.415 11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.210 -2.194 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.036 -3.045 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.366 -2.918 9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.685 -1.122 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.309 -1.555 7.655 1.00 0.00 H new ATOM 1163 N ASP A 72 7.632 1.475 11.251 1.00 0.00 N ATOM 1164 CA ASP A 72 8.014 2.583 12.112 1.00 0.00 C ATOM 1165 C ASP A 72 9.154 3.372 11.478 1.00 0.00 C ATOM 1166 O ASP A 72 10.075 3.812 12.164 1.00 0.00 O ATOM 1167 CB ASP A 72 8.434 2.068 13.490 1.00 0.00 C ATOM 1168 CG ASP A 72 9.475 0.968 13.406 1.00 0.00 C ATOM 1169 OD1 ASP A 72 10.257 0.964 12.432 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.510 0.112 14.314 1.00 0.00 O ATOM 0 H ASP A 72 8.307 1.262 10.517 1.00 0.00 H new ATOM 0 HA ASP A 72 7.154 3.241 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.831 2.895 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.557 1.694 14.018 1.00 0.00 H new ATOM 1175 N GLY A 73 9.086 3.534 10.159 1.00 0.00 N ATOM 1176 CA GLY A 73 10.123 4.264 9.447 1.00 0.00 C ATOM 1177 C GLY A 73 9.570 5.238 8.425 1.00 0.00 C ATOM 1178 O GLY A 73 9.004 6.270 8.785 1.00 0.00 O ATOM 0 H GLY A 73 8.334 3.174 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.734 4.809 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.780 3.553 8.945 1.00 0.00 H new ATOM 1182 N SER A 74 9.748 4.916 7.146 1.00 0.00 N ATOM 1183 CA SER A 74 9.273 5.777 6.065 1.00 0.00 C ATOM 1184 C SER A 74 8.649 4.961 4.940 1.00 0.00 C ATOM 1185 O SER A 74 8.627 3.731 4.980 1.00 0.00 O ATOM 1186 CB SER A 74 10.429 6.616 5.515 1.00 0.00 C ATOM 1187 OG SER A 74 11.135 7.259 6.561 1.00 0.00 O ATOM 0 H SER A 74 10.217 4.066 6.833 1.00 0.00 H new ATOM 0 HA SER A 74 8.507 6.436 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.110 5.978 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.043 7.362 4.820 1.00 0.00 H new ATOM 0 HG SER A 74 11.869 7.787 6.184 1.00 0.00 H new ATOM 1193 N HIS A 75 8.139 5.668 3.937 1.00 0.00 N ATOM 1194 CA HIS A 75 7.503 5.042 2.783 1.00 0.00 C ATOM 1195 C HIS A 75 8.421 3.998 2.148 1.00 0.00 C ATOM 1196 O HIS A 75 9.542 4.308 1.746 1.00 0.00 O ATOM 1197 CB HIS A 75 7.143 6.121 1.762 1.00 0.00 C ATOM 1198 CG HIS A 75 6.397 5.612 0.568 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.798 5.819 -0.734 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.237 4.913 0.494 1.00 0.00 C ATOM 1201 CE1 HIS A 75 5.886 5.255 -1.539 1.00 0.00 C ATOM 1202 NE2 HIS A 75 4.919 4.690 -0.842 1.00 0.00 N ATOM 0 H HIS A 75 8.155 6.687 3.901 1.00 0.00 H new ATOM 0 HA HIS A 75 6.598 4.532 3.113 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.541 6.885 2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.059 6.606 1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.639 6.313 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.652 4.582 1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.937 5.262 -2.618 1.00 0.00 H new ATOM 1210 N ILE A 76 7.938 2.760 2.065 1.00 0.00 N ATOM 1211 CA ILE A 76 8.719 1.672 1.482 1.00 0.00 C ATOM 1212 C ILE A 76 8.587 1.658 -0.037 1.00 0.00 C ATOM 1213 O ILE A 76 9.571 1.476 -0.754 1.00 0.00 O ATOM 1214 CB ILE A 76 8.280 0.297 2.028 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.216 0.315 3.555 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.224 -0.796 1.544 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.026 -0.438 4.110 1.00 0.00 C ATOM 0 H ILE A 76 7.012 2.486 2.393 1.00 0.00 H new ATOM 0 HA ILE A 76 9.758 1.850 1.761 1.00 0.00 H new ATOM 0 HB ILE A 76 7.281 0.082 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.132 -0.119 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.176 1.349 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.899 -1.759 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.215 -0.829 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.235 -0.584 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.039 -0.387 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.105 0.010 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.076 -1.480 3.795 1.00 0.00 H new ATOM 1229 N GLY A 77 7.363 1.838 -0.521 1.00 0.00 N ATOM 1230 CA GLY A 77 7.123 1.833 -1.951 1.00 0.00 C ATOM 1231 C GLY A 77 6.033 0.865 -2.352 1.00 0.00 C ATOM 1232 O GLY A 77 5.104 0.608 -1.588 1.00 0.00 O ATOM 0 H GLY A 77 6.533 1.987 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.849 2.837 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.045 1.572 -2.470 1.00 0.00 H new ATOM 1236 N GLY A 78 6.148 0.332 -3.559 1.00 0.00 N ATOM 1237 CA GLY A 78 5.162 -0.611 -4.053 1.00 0.00 C ATOM 1238 C GLY A 78 5.460 -2.032 -3.618 1.00 0.00 C ATOM 1239 O GLY A 78 6.186 -2.251 -2.648 1.00 0.00 O ATOM 0 H GLY A 78 6.908 0.535 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.174 -0.323 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.131 -0.565 -5.142 1.00 0.00 H new ATOM 1243 N PHE A 79 4.902 -3.001 -4.334 1.00 0.00 N ATOM 1244 CA PHE A 79 5.118 -4.407 -4.009 1.00 0.00 C ATOM 1245 C PHE A 79 6.600 -4.762 -4.106 1.00 0.00 C ATOM 1246 O PHE A 79 7.203 -5.217 -3.135 1.00 0.00 O ATOM 1247 CB PHE A 79 4.300 -5.304 -4.944 1.00 0.00 C ATOM 1248 CG PHE A 79 4.487 -6.774 -4.683 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.267 -7.301 -3.419 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.887 -7.626 -5.701 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.443 -8.650 -3.176 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.064 -8.976 -5.464 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.843 -9.490 -4.200 1.00 0.00 C ATOM 0 H PHE A 79 4.299 -2.841 -5.141 1.00 0.00 H new ATOM 0 HA PHE A 79 4.788 -4.574 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.244 -5.056 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.577 -5.088 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.955 -6.650 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.062 -7.230 -6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.268 -9.048 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.375 -9.629 -6.266 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.982 -10.544 -4.012 1.00 0.00 H new ATOM 1263 N ASP A 80 7.181 -4.544 -5.283 1.00 0.00 N ATOM 1264 CA ASP A 80 8.594 -4.840 -5.508 1.00 0.00 C ATOM 1265 C ASP A 80 9.470 -4.149 -4.467 1.00 0.00 C ATOM 1266 O ASP A 80 10.401 -4.748 -3.927 1.00 0.00 O ATOM 1267 CB ASP A 80 9.013 -4.399 -6.912 1.00 0.00 C ATOM 1268 CG ASP A 80 10.346 -4.989 -7.331 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.678 -6.098 -6.863 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.057 -4.341 -8.127 1.00 0.00 O ATOM 0 H ASP A 80 6.696 -4.164 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 80 8.730 -5.917 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.246 -4.697 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.074 -3.311 -6.945 1.00 0.00 H new ATOM 1275 N GLN A 81 9.167 -2.885 -4.192 1.00 0.00 N ATOM 1276 CA GLN A 81 9.927 -2.113 -3.216 1.00 0.00 C ATOM 1277 C GLN A 81 9.920 -2.808 -1.858 1.00 0.00 C ATOM 1278 O GLN A 81 10.890 -2.731 -1.105 1.00 0.00 O ATOM 1279 CB GLN A 81 9.350 -0.702 -3.086 1.00 0.00 C ATOM 1280 CG GLN A 81 9.735 0.221 -4.230 1.00 0.00 C ATOM 1281 CD GLN A 81 10.819 1.210 -3.843 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.591 2.118 -3.045 1.00 0.00 O ATOM 1283 NE2 GLN A 81 12.007 1.036 -4.410 1.00 0.00 N ATOM 0 H GLN A 81 8.401 -2.374 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 81 10.957 -2.041 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.263 -0.767 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.690 -0.265 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.078 -0.377 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.853 0.767 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.151 0.269 -5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.775 1.669 -4.189 1.00 0.00 H new ATOM 1292 N LEU A 82 8.820 -3.492 -1.555 1.00 0.00 N ATOM 1293 CA LEU A 82 8.691 -4.204 -0.291 1.00 0.00 C ATOM 1294 C LEU A 82 9.579 -5.439 -0.249 1.00 0.00 C ATOM 1295 O LEU A 82 10.303 -5.654 0.724 1.00 0.00 O ATOM 1296 CB LEU A 82 7.251 -4.585 -0.031 1.00 0.00 C ATOM 1297 CG LEU A 82 6.985 -4.901 1.431 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.149 -3.818 2.086 1.00 0.00 C ATOM 1299 CD2 LEU A 82 6.329 -6.250 1.554 1.00 0.00 C ATOM 0 H LEU A 82 8.008 -3.567 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 82 9.021 -3.527 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.601 -3.769 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.993 -5.452 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 82 7.939 -4.931 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.976 -4.074 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.677 -2.866 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.192 -3.735 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.142 -6.469 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.384 -6.246 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.985 -7.013 1.136 1.00 0.00 H new ATOM 1311 N ARG A 83 9.545 -6.245 -1.307 1.00 0.00 N ATOM 1312 CA ARG A 83 10.379 -7.445 -1.364 1.00 0.00 C ATOM 1313 C ARG A 83 11.829 -7.078 -1.076 1.00 0.00 C ATOM 1314 O ARG A 83 12.585 -7.872 -0.516 1.00 0.00 O ATOM 1315 CB ARG A 83 10.263 -8.116 -2.734 1.00 0.00 C ATOM 1316 CG ARG A 83 10.263 -9.635 -2.669 1.00 0.00 C ATOM 1317 CD ARG A 83 9.564 -10.244 -3.874 1.00 0.00 C ATOM 1318 NE ARG A 83 10.183 -11.502 -4.288 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.025 -12.046 -5.492 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.270 -11.447 -6.404 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.624 -13.192 -5.785 1.00 0.00 N ATOM 0 H ARG A 83 8.958 -6.093 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 83 10.033 -8.150 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.345 -7.781 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.091 -7.787 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.290 -9.998 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.766 -9.961 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.515 -10.418 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.589 -9.537 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 83 10.771 -11.992 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.807 -10.565 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.152 -11.868 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.206 -13.656 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.503 -13.609 -6.708 1.00 0.00 H new ATOM 1335 N GLU A 84 12.200 -5.853 -1.441 1.00 0.00 N ATOM 1336 CA GLU A 84 13.547 -5.361 -1.193 1.00 0.00 C ATOM 1337 C GLU A 84 13.693 -5.031 0.284 1.00 0.00 C ATOM 1338 O GLU A 84 14.757 -5.214 0.876 1.00 0.00 O ATOM 1339 CB GLU A 84 13.835 -4.124 -2.046 1.00 0.00 C ATOM 1340 CG GLU A 84 14.514 -4.440 -3.370 1.00 0.00 C ATOM 1341 CD GLU A 84 15.583 -3.429 -3.733 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.253 -2.228 -3.841 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.751 -3.837 -3.908 1.00 0.00 O ATOM 0 H GLU A 84 11.586 -5.186 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 84 14.267 -6.133 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.898 -3.603 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.466 -3.441 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.961 -5.433 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.764 -4.470 -4.161 1.00 0.00 H new ATOM 1350 N TYR A 85 12.597 -4.567 0.880 1.00 0.00 N ATOM 1351 CA TYR A 85 12.572 -4.236 2.293 1.00 0.00 C ATOM 1352 C TYR A 85 12.736 -5.511 3.115 1.00 0.00 C ATOM 1353 O TYR A 85 13.325 -5.500 4.195 1.00 0.00 O ATOM 1354 CB TYR A 85 11.246 -3.552 2.633 1.00 0.00 C ATOM 1355 CG TYR A 85 11.219 -2.884 3.987 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.077 -3.630 5.149 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.324 -1.504 4.100 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.042 -3.020 6.387 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.291 -0.887 5.333 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.149 -1.648 6.474 1.00 0.00 C ATOM 1361 OH TYR A 85 11.117 -1.035 7.707 1.00 0.00 O ATOM 0 H TYR A 85 11.711 -4.413 0.398 1.00 0.00 H new ATOM 0 HA TYR A 85 13.391 -3.556 2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.029 -2.806 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.447 -4.293 2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.993 -4.705 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.433 -0.904 3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.931 -3.614 7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.376 0.187 5.405 1.00 0.00 H new ATOM 0 HH TYR A 85 11.205 -0.066 7.593 1.00 0.00 H new ATOM 1371 N PHE A 86 12.213 -6.612 2.573 1.00 0.00 N ATOM 1372 CA PHE A 86 12.283 -7.916 3.228 1.00 0.00 C ATOM 1373 C PHE A 86 13.517 -8.696 2.782 1.00 0.00 C ATOM 1374 O PHE A 86 14.455 -8.886 3.557 1.00 0.00 O ATOM 1375 CB PHE A 86 11.015 -8.714 2.908 1.00 0.00 C ATOM 1376 CG PHE A 86 9.846 -8.342 3.775 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.006 -8.164 5.140 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.594 -8.143 3.221 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.938 -7.800 5.934 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.523 -7.777 4.011 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.695 -7.605 5.368 1.00 0.00 C ATOM 0 H PHE A 86 11.732 -6.624 1.673 1.00 0.00 H new ATOM 0 HA PHE A 86 12.359 -7.758 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.748 -8.556 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.223 -9.777 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.978 -8.312 5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.453 -8.276 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.075 -7.668 6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.551 -7.625 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.858 -7.318 5.987 1.00 0.00 H new ATOM 1391 N LYS A 87 13.510 -9.146 1.532 1.00 0.00 N ATOM 1392 CA LYS A 87 14.627 -9.907 0.987 1.00 0.00 C ATOM 1393 C LYS A 87 14.857 -11.185 1.789 1.00 0.00 C ATOM 1394 O LYS A 87 13.977 -11.540 2.600 1.00 0.00 O ATOM 1395 CB LYS A 87 15.898 -9.056 0.988 1.00 0.00 C ATOM 1396 CG LYS A 87 15.927 -8.007 -0.112 1.00 0.00 C ATOM 1397 CD LYS A 87 16.441 -8.586 -1.420 1.00 0.00 C ATOM 1398 CE LYS A 87 17.921 -8.298 -1.612 1.00 0.00 C ATOM 1399 NZ LYS A 87 18.276 -8.157 -3.052 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.915 -11.821 1.595 1.00 0.00 O ATOM 0 H LYS A 87 12.742 -8.997 0.877 1.00 0.00 H new ATOM 0 HA LYS A 87 14.382 -10.182 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.993 -8.560 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.763 -9.710 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.925 -7.605 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.562 -7.175 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.274 -9.663 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.876 -8.166 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.185 -7.383 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.508 -9.103 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.294 -7.961 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.048 -9.039 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.735 -7.372 -3.468 1.00 0.00 H new