USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -120:sc= 0.601 USER MOD Set 1.2: A 11 TYR OH : rot -157:sc= -0.464! USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -1.41 (180deg=-2.19) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= -0.872 (180deg=-2.42!) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= 0.0546 (180deg=-0.375) USER MOD Single : A 10 ASN : amide:sc= -0.664 K(o=-0.66,f=-2.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 21 GLN : amide:sc= -7.21! C(o=-7.2!,f=-12!) USER MOD Single : A 23 ASN : amide:sc= -3.02! C(o=-3!,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 0.771 (180deg=0.122) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-1.2) USER MOD Single : A 34 SER OG : rot -24:sc= 0.115 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.683 (180deg=-2.26) USER MOD Single : A 44 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.1!) USER MOD Single : A 46 GLN : amide:sc= -0.535 K(o=-0.54,f=-3.2!) USER MOD Single : A 51 TYR OH : rot 50:sc= -2.67 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.319 -9.798 -51.009 1.00 0.00 N ATOM 2 CA ASP A 2 90.093 -10.361 -52.109 1.00 0.00 C ATOM 3 C ASP A 2 89.728 -11.826 -52.327 1.00 0.00 C ATOM 4 O ASP A 2 88.835 -12.358 -51.667 1.00 0.00 O ATOM 5 CB ASP A 2 91.589 -10.245 -51.808 1.00 0.00 C ATOM 6 CG ASP A 2 92.002 -8.778 -51.775 1.00 0.00 C ATOM 7 OD1 ASP A 2 91.209 -7.950 -52.193 1.00 0.00 O ATOM 8 OD2 ASP A 2 93.105 -8.504 -51.333 1.00 0.00 O ATOM 0 HA ASP A 2 89.860 -9.802 -53.015 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.813 -10.716 -50.851 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.163 -10.776 -52.567 1.00 0.00 H new ATOM 13 N LYS A 3 90.423 -12.473 -53.256 1.00 0.00 N ATOM 14 CA LYS A 3 90.164 -13.877 -53.552 1.00 0.00 C ATOM 15 C LYS A 3 90.339 -14.732 -52.302 1.00 0.00 C ATOM 16 O LYS A 3 89.599 -15.692 -52.086 1.00 0.00 O ATOM 17 CB LYS A 3 91.120 -14.364 -54.643 1.00 0.00 C ATOM 18 CG LYS A 3 90.767 -15.802 -55.028 1.00 0.00 C ATOM 19 CD LYS A 3 91.609 -16.229 -56.233 1.00 0.00 C ATOM 20 CE LYS A 3 93.093 -16.162 -55.868 1.00 0.00 C ATOM 21 NZ LYS A 3 93.278 -16.597 -54.454 1.00 0.00 N ATOM 0 H LYS A 3 91.165 -12.051 -53.814 1.00 0.00 H new ATOM 0 HA LYS A 3 89.135 -13.971 -53.900 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.052 -13.716 -55.517 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.149 -14.314 -54.288 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.951 -16.471 -54.187 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.706 -15.876 -55.268 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.343 -17.242 -56.535 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.403 -15.578 -57.083 1.00 0.00 H new ATOM 0 HE2 LYS A 3 93.672 -16.801 -56.535 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.465 -15.146 -55.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 94.255 -16.925 -54.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 93.089 -15.797 -53.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 92.619 -17.373 -54.240 1.00 0.00 H new ATOM 35 N CYS A 4 91.323 -14.378 -51.481 1.00 0.00 N ATOM 36 CA CYS A 4 91.587 -15.122 -50.255 1.00 0.00 C ATOM 37 C CYS A 4 90.417 -15.023 -49.288 1.00 0.00 C ATOM 38 O CYS A 4 90.210 -15.903 -48.453 1.00 0.00 O ATOM 39 CB CYS A 4 92.816 -14.546 -49.549 1.00 0.00 C ATOM 40 SG CYS A 4 94.225 -14.557 -50.685 1.00 0.00 S ATOM 0 H CYS A 4 91.946 -13.587 -51.641 1.00 0.00 H new ATOM 0 HA CYS A 4 91.748 -16.163 -50.535 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.613 -13.529 -49.214 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.047 -15.134 -48.661 1.00 0.00 H new ATOM 45 N LYS A 5 89.668 -13.929 -49.387 1.00 0.00 N ATOM 46 CA LYS A 5 88.536 -13.706 -48.495 1.00 0.00 C ATOM 47 C LYS A 5 87.315 -14.486 -48.975 1.00 0.00 C ATOM 48 O LYS A 5 86.789 -14.229 -50.058 1.00 0.00 O ATOM 49 CB LYS A 5 88.202 -12.214 -48.438 1.00 0.00 C ATOM 50 CG LYS A 5 89.498 -11.402 -48.446 1.00 0.00 C ATOM 51 CD LYS A 5 90.378 -11.831 -47.271 1.00 0.00 C ATOM 52 CE LYS A 5 91.551 -10.859 -47.130 1.00 0.00 C ATOM 53 NZ LYS A 5 91.038 -9.513 -46.746 1.00 0.00 N ATOM 0 H LYS A 5 89.823 -13.188 -50.071 1.00 0.00 H new ATOM 0 HA LYS A 5 88.807 -14.055 -47.499 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.581 -11.936 -49.290 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.627 -11.993 -47.539 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.029 -11.554 -49.386 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.273 -10.338 -48.376 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.793 -11.847 -46.352 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.748 -12.844 -47.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.250 -11.222 -46.376 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.100 -10.796 -48.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.390 -8.802 -47.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 89.998 -9.520 -46.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.368 -9.276 -45.789 1.00 0.00 H new ATOM 67 N LYS A 6 86.870 -15.437 -48.161 1.00 0.00 N ATOM 68 CA LYS A 6 85.699 -16.236 -48.504 1.00 0.00 C ATOM 69 C LYS A 6 84.662 -16.173 -47.386 1.00 0.00 C ATOM 70 O LYS A 6 85.007 -16.198 -46.206 1.00 0.00 O ATOM 71 CB LYS A 6 86.110 -17.691 -48.742 1.00 0.00 C ATOM 72 CG LYS A 6 87.070 -17.763 -49.931 1.00 0.00 C ATOM 73 CD LYS A 6 87.288 -19.225 -50.325 1.00 0.00 C ATOM 74 CE LYS A 6 88.409 -19.314 -51.361 1.00 0.00 C ATOM 75 NZ LYS A 6 88.035 -18.523 -52.567 1.00 0.00 N ATOM 0 H LYS A 6 87.298 -15.672 -47.266 1.00 0.00 H new ATOM 0 HA LYS A 6 85.259 -15.830 -49.415 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.588 -18.095 -47.850 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.228 -18.302 -48.936 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.663 -17.205 -50.774 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.022 -17.300 -49.672 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.544 -19.815 -49.445 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.368 -19.644 -50.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.340 -18.935 -50.939 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.584 -20.354 -51.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.357 -19.020 -53.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.002 -18.409 -52.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.485 -17.587 -52.521 1.00 0.00 H new ATOM 89 N VAL A 7 83.391 -16.092 -47.768 1.00 0.00 N ATOM 90 CA VAL A 7 82.315 -15.999 -46.787 1.00 0.00 C ATOM 91 C VAL A 7 81.440 -17.248 -46.831 1.00 0.00 C ATOM 92 O VAL A 7 80.988 -17.664 -47.897 1.00 0.00 O ATOM 93 CB VAL A 7 81.458 -14.764 -47.068 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.803 -14.897 -48.443 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.371 -14.646 -45.996 1.00 0.00 C ATOM 0 H VAL A 7 83.083 -16.089 -48.740 1.00 0.00 H new ATOM 0 HA VAL A 7 82.759 -15.915 -45.795 1.00 0.00 H new ATOM 0 HB VAL A 7 82.087 -13.874 -47.051 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.193 -14.016 -48.642 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.575 -14.983 -49.207 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.173 -15.787 -48.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.759 -13.766 -46.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.743 -15.537 -46.015 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.836 -14.551 -45.015 1.00 0.00 H new ATOM 105 N TYR A 8 81.204 -17.840 -45.664 1.00 0.00 N ATOM 106 CA TYR A 8 80.331 -19.004 -45.571 1.00 0.00 C ATOM 107 C TYR A 8 79.425 -18.897 -44.349 1.00 0.00 C ATOM 108 O TYR A 8 79.896 -18.902 -43.212 1.00 0.00 O ATOM 109 CB TYR A 8 81.170 -20.280 -45.478 1.00 0.00 C ATOM 110 CG TYR A 8 81.594 -20.503 -44.046 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.793 -19.952 -43.577 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.790 -21.263 -43.189 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.186 -20.160 -42.250 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.184 -21.472 -41.861 1.00 0.00 C ATOM 115 CZ TYR A 8 82.382 -20.920 -41.391 1.00 0.00 C ATOM 116 OH TYR A 8 82.770 -21.126 -40.083 1.00 0.00 O ATOM 0 H TYR A 8 81.602 -17.535 -44.776 1.00 0.00 H new ATOM 0 HA TYR A 8 79.711 -19.043 -46.466 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.593 -21.133 -45.834 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.048 -20.198 -46.119 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.414 -19.367 -44.239 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.866 -21.688 -43.551 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.110 -19.734 -41.888 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.564 -22.059 -41.200 1.00 0.00 H new ATOM 0 HH TYR A 8 82.873 -22.087 -39.920 1.00 0.00 H new ATOM 126 N GLU A 9 78.122 -18.796 -44.593 1.00 0.00 N ATOM 127 CA GLU A 9 77.163 -18.606 -43.511 1.00 0.00 C ATOM 128 C GLU A 9 77.108 -19.840 -42.616 1.00 0.00 C ATOM 129 O GLU A 9 77.754 -19.889 -41.569 1.00 0.00 O ATOM 130 CB GLU A 9 75.774 -18.329 -44.088 1.00 0.00 C ATOM 131 CG GLU A 9 75.858 -17.179 -45.093 1.00 0.00 C ATOM 132 CD GLU A 9 74.462 -16.814 -45.586 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.538 -17.555 -45.292 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.337 -15.800 -46.252 1.00 0.00 O ATOM 0 H GLU A 9 77.708 -18.842 -45.524 1.00 0.00 H new ATOM 0 HA GLU A 9 77.485 -17.754 -42.912 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.386 -19.224 -44.575 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.080 -18.076 -43.287 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.326 -16.312 -44.627 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.487 -17.467 -45.936 1.00 0.00 H new ATOM 141 N ASN A 10 76.330 -20.834 -43.033 1.00 0.00 N ATOM 142 CA ASN A 10 76.116 -22.019 -42.210 1.00 0.00 C ATOM 143 C ASN A 10 75.489 -21.631 -40.875 1.00 0.00 C ATOM 144 O ASN A 10 74.398 -22.086 -40.533 1.00 0.00 O ATOM 145 CB ASN A 10 77.445 -22.733 -41.963 1.00 0.00 C ATOM 146 CG ASN A 10 77.897 -23.446 -43.233 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.115 -23.599 -44.171 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.120 -23.893 -43.320 1.00 0.00 N ATOM 0 H ASN A 10 75.841 -20.843 -43.928 1.00 0.00 H new ATOM 0 HA ASN A 10 75.439 -22.690 -42.739 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.202 -22.013 -41.651 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.336 -23.452 -41.151 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.430 -24.370 -44.167 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.766 -23.765 -42.541 1.00 0.00 H new ATOM 155 N TYR A 11 76.190 -20.784 -40.127 1.00 0.00 N ATOM 156 CA TYR A 11 75.641 -20.232 -38.894 1.00 0.00 C ATOM 157 C TYR A 11 75.617 -18.709 -38.958 1.00 0.00 C ATOM 158 O TYR A 11 76.659 -18.057 -38.897 1.00 0.00 O ATOM 159 CB TYR A 11 76.482 -20.684 -37.698 1.00 0.00 C ATOM 160 CG TYR A 11 77.935 -20.368 -37.955 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.428 -19.084 -37.693 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.790 -21.358 -38.453 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.776 -18.790 -37.930 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.138 -21.064 -38.690 1.00 0.00 C ATOM 165 CZ TYR A 11 80.631 -19.780 -38.428 1.00 0.00 C ATOM 166 OH TYR A 11 81.960 -19.492 -38.661 1.00 0.00 O ATOM 0 H TYR A 11 77.133 -20.467 -40.351 1.00 0.00 H new ATOM 0 HA TYR A 11 74.621 -20.596 -38.775 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.144 -20.181 -36.792 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.355 -21.754 -37.535 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.768 -18.320 -37.308 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.410 -22.349 -38.654 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.156 -17.799 -37.729 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.798 -21.828 -39.075 1.00 0.00 H new ATOM 0 HH TYR A 11 82.319 -20.119 -39.323 1.00 0.00 H new ATOM 176 N PRO A 12 74.449 -18.140 -39.084 1.00 0.00 N ATOM 177 CA PRO A 12 74.274 -16.669 -39.216 1.00 0.00 C ATOM 178 C PRO A 12 75.105 -15.890 -38.200 1.00 0.00 C ATOM 179 O PRO A 12 75.868 -16.474 -37.429 1.00 0.00 O ATOM 180 CB PRO A 12 72.734 -16.445 -39.015 1.00 0.00 C ATOM 181 CG PRO A 12 72.137 -17.749 -39.441 1.00 0.00 C ATOM 182 CD PRO A 12 73.160 -18.845 -39.114 1.00 0.00 C ATOM 0 HA PRO A 12 74.623 -16.302 -40.181 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.494 -16.213 -37.978 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.366 -15.617 -39.621 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.198 -17.931 -38.919 1.00 0.00 H new ATOM 0 HG3 PRO A 12 71.912 -17.739 -40.507 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.943 -19.319 -38.157 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.154 -19.632 -39.868 1.00 0.00 H new ATOM 190 N VAL A 13 74.951 -14.571 -38.205 1.00 0.00 N ATOM 191 CA VAL A 13 75.735 -13.714 -37.324 1.00 0.00 C ATOM 192 C VAL A 13 75.700 -14.242 -35.894 1.00 0.00 C ATOM 193 O VAL A 13 76.445 -13.776 -35.031 1.00 0.00 O ATOM 194 CB VAL A 13 75.182 -12.288 -37.358 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.653 -12.334 -37.356 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.669 -11.523 -36.126 1.00 0.00 C ATOM 0 H VAL A 13 74.294 -14.074 -38.806 1.00 0.00 H new ATOM 0 HA VAL A 13 76.768 -13.712 -37.673 1.00 0.00 H new ATOM 0 HB VAL A 13 75.530 -11.785 -38.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.258 -11.318 -37.380 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.304 -12.880 -38.233 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.305 -12.837 -36.454 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.275 -10.507 -36.150 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.321 -12.026 -35.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.759 -11.490 -36.125 1.00 0.00 H new ATOM 206 N SER A 14 74.830 -15.216 -35.650 1.00 0.00 N ATOM 207 CA SER A 14 74.680 -15.777 -34.312 1.00 0.00 C ATOM 208 C SER A 14 76.045 -15.978 -33.660 1.00 0.00 C ATOM 209 O SER A 14 76.234 -15.668 -32.485 1.00 0.00 O ATOM 210 CB SER A 14 73.946 -17.115 -34.386 1.00 0.00 C ATOM 211 OG SER A 14 73.621 -17.545 -33.070 1.00 0.00 O ATOM 0 H SER A 14 74.222 -15.631 -36.356 1.00 0.00 H new ATOM 0 HA SER A 14 74.100 -15.079 -33.708 1.00 0.00 H new ATOM 0 HB2 SER A 14 73.039 -17.013 -34.982 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.571 -17.859 -34.880 1.00 0.00 H new ATOM 0 HG SER A 14 73.149 -18.402 -33.113 1.00 0.00 H new ATOM 217 N LYS A 15 76.994 -16.496 -34.434 1.00 0.00 N ATOM 218 CA LYS A 15 78.331 -16.753 -33.914 1.00 0.00 C ATOM 219 C LYS A 15 79.180 -15.487 -33.978 1.00 0.00 C ATOM 220 O LYS A 15 79.912 -15.171 -33.041 1.00 0.00 O ATOM 221 CB LYS A 15 79.004 -17.861 -34.726 1.00 0.00 C ATOM 222 CG LYS A 15 78.100 -19.095 -34.756 1.00 0.00 C ATOM 223 CD LYS A 15 77.866 -19.591 -33.328 1.00 0.00 C ATOM 224 CE LYS A 15 77.503 -21.077 -33.355 1.00 0.00 C ATOM 225 NZ LYS A 15 78.749 -21.893 -33.309 1.00 0.00 N ATOM 0 H LYS A 15 76.863 -16.744 -35.415 1.00 0.00 H new ATOM 0 HA LYS A 15 78.243 -17.068 -32.874 1.00 0.00 H new ATOM 0 HB2 LYS A 15 79.198 -17.515 -35.741 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.968 -18.114 -34.285 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.148 -18.850 -35.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 78.560 -19.881 -35.355 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.762 -19.436 -32.727 1.00 0.00 H new ATOM 0 HD3 LYS A 15 77.065 -19.019 -32.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.864 -21.322 -32.507 1.00 0.00 H new ATOM 0 HE3 LYS A 15 76.937 -21.308 -34.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 78.503 -22.903 -33.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 79.343 -21.666 -34.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.272 -21.680 -32.436 1.00 0.00 H new ATOM 239 N CYS A 16 79.076 -14.767 -35.090 1.00 0.00 N ATOM 240 CA CYS A 16 79.877 -13.565 -35.288 1.00 0.00 C ATOM 241 C CYS A 16 79.769 -12.643 -34.079 1.00 0.00 C ATOM 242 O CYS A 16 80.449 -11.620 -34.004 1.00 0.00 O ATOM 243 CB CYS A 16 79.406 -12.825 -36.541 1.00 0.00 C ATOM 244 SG CYS A 16 80.460 -13.276 -37.942 1.00 0.00 S ATOM 0 H CYS A 16 78.450 -14.993 -35.863 1.00 0.00 H new ATOM 0 HA CYS A 16 80.919 -13.862 -35.411 1.00 0.00 H new ATOM 0 HB2 CYS A 16 78.368 -13.078 -36.757 1.00 0.00 H new ATOM 0 HB3 CYS A 16 79.444 -11.748 -36.376 1.00 0.00 H new ATOM 249 N GLN A 17 78.910 -13.011 -33.134 1.00 0.00 N ATOM 250 CA GLN A 17 78.735 -12.217 -31.923 1.00 0.00 C ATOM 251 C GLN A 17 80.063 -12.064 -31.189 1.00 0.00 C ATOM 252 O GLN A 17 80.278 -11.087 -30.471 1.00 0.00 O ATOM 253 CB GLN A 17 77.713 -12.887 -31.001 1.00 0.00 C ATOM 254 CG GLN A 17 76.351 -12.932 -31.696 1.00 0.00 C ATOM 255 CD GLN A 17 75.779 -11.524 -31.814 1.00 0.00 C ATOM 256 OE1 GLN A 17 76.047 -10.670 -30.969 1.00 0.00 O ATOM 257 NE2 GLN A 17 75.002 -11.228 -32.820 1.00 0.00 N ATOM 0 H GLN A 17 78.328 -13.847 -33.182 1.00 0.00 H new ATOM 0 HA GLN A 17 78.373 -11.229 -32.207 1.00 0.00 H new ATOM 0 HB2 GLN A 17 78.039 -13.897 -30.752 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.637 -12.336 -30.064 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.453 -13.376 -32.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.666 -13.565 -31.132 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.781 -11.937 -33.519 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.616 -10.288 -32.907 1.00 0.00 H new ATOM 266 N LEU A 18 80.950 -13.036 -31.375 1.00 0.00 N ATOM 267 CA LEU A 18 82.269 -12.983 -30.755 1.00 0.00 C ATOM 268 C LEU A 18 83.362 -13.144 -31.807 1.00 0.00 C ATOM 269 O LEU A 18 83.513 -14.211 -32.400 1.00 0.00 O ATOM 270 CB LEU A 18 82.399 -14.092 -29.710 1.00 0.00 C ATOM 271 CG LEU A 18 81.267 -13.971 -28.690 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.961 -15.349 -28.099 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.690 -13.019 -27.569 1.00 0.00 C ATOM 0 H LEU A 18 80.781 -13.864 -31.946 1.00 0.00 H new ATOM 0 HA LEU A 18 82.384 -12.013 -30.272 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.363 -15.068 -30.194 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.364 -14.021 -29.208 1.00 0.00 H new ATOM 0 HG LEU A 18 80.376 -13.581 -29.182 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.154 -15.262 -27.372 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.659 -16.028 -28.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.852 -15.740 -27.607 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.883 -12.932 -26.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.581 -13.409 -27.078 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.907 -12.037 -27.988 1.00 0.00 H new ATOM 285 N ALA A 19 84.121 -12.077 -32.032 1.00 0.00 N ATOM 286 CA ALA A 19 85.179 -12.104 -33.036 1.00 0.00 C ATOM 287 C ALA A 19 86.050 -13.344 -32.860 1.00 0.00 C ATOM 288 O ALA A 19 86.853 -13.679 -33.732 1.00 0.00 O ATOM 289 CB ALA A 19 86.043 -10.848 -32.921 1.00 0.00 C ATOM 0 H ALA A 19 84.025 -11.190 -31.538 1.00 0.00 H new ATOM 0 HA ALA A 19 84.718 -12.135 -34.023 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.830 -10.877 -33.675 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.424 -9.965 -33.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.492 -10.805 -31.929 1.00 0.00 H new ATOM 295 N ASN A 20 85.886 -14.021 -31.728 1.00 0.00 N ATOM 296 CA ASN A 20 86.671 -15.216 -31.444 1.00 0.00 C ATOM 297 C ASN A 20 86.000 -16.452 -32.034 1.00 0.00 C ATOM 298 O ASN A 20 86.670 -17.418 -32.400 1.00 0.00 O ATOM 299 CB ASN A 20 86.827 -15.390 -29.931 1.00 0.00 C ATOM 300 CG ASN A 20 87.275 -14.077 -29.299 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.124 -13.378 -29.852 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.753 -13.699 -28.164 1.00 0.00 N ATOM 0 H ASN A 20 85.222 -13.765 -30.998 1.00 0.00 H new ATOM 0 HA ASN A 20 87.654 -15.099 -31.900 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.881 -15.709 -29.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.556 -16.172 -29.720 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.048 -12.823 -27.733 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.050 -14.280 -27.708 1.00 0.00 H new ATOM 309 N GLN A 21 84.674 -16.415 -32.121 1.00 0.00 N ATOM 310 CA GLN A 21 83.921 -17.556 -32.631 1.00 0.00 C ATOM 311 C GLN A 21 84.255 -17.805 -34.099 1.00 0.00 C ATOM 312 O GLN A 21 84.567 -18.930 -34.491 1.00 0.00 O ATOM 313 CB GLN A 21 82.420 -17.299 -32.485 1.00 0.00 C ATOM 314 CG GLN A 21 81.705 -18.614 -32.171 1.00 0.00 C ATOM 315 CD GLN A 21 82.017 -19.646 -33.249 1.00 0.00 C ATOM 316 OE1 GLN A 21 82.163 -19.298 -34.420 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.129 -20.905 -32.921 1.00 0.00 N ATOM 0 H GLN A 21 84.103 -15.615 -31.848 1.00 0.00 H new ATOM 0 HA GLN A 21 84.197 -18.437 -32.052 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.240 -16.576 -31.689 1.00 0.00 H new ATOM 0 HB3 GLN A 21 82.023 -16.867 -33.404 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.022 -18.986 -31.197 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.629 -18.448 -32.115 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.008 -21.192 -31.950 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.338 -21.602 -33.636 1.00 0.00 H new ATOM 326 N CYS A 22 84.189 -16.750 -34.904 1.00 0.00 N ATOM 327 CA CYS A 22 84.461 -16.873 -36.331 1.00 0.00 C ATOM 328 C CYS A 22 85.768 -17.624 -36.566 1.00 0.00 C ATOM 329 O CYS A 22 85.779 -18.699 -37.166 1.00 0.00 O ATOM 330 CB CYS A 22 84.545 -15.486 -36.969 1.00 0.00 C ATOM 331 SG CYS A 22 82.891 -14.756 -37.052 1.00 0.00 S ATOM 0 H CYS A 22 83.951 -15.807 -34.596 1.00 0.00 H new ATOM 0 HA CYS A 22 83.646 -17.434 -36.789 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.207 -14.846 -36.386 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.972 -15.560 -37.969 1.00 0.00 H new ATOM 336 N ASN A 23 86.867 -17.050 -36.087 1.00 0.00 N ATOM 337 CA ASN A 23 88.176 -17.669 -36.261 1.00 0.00 C ATOM 338 C ASN A 23 88.107 -19.164 -35.971 1.00 0.00 C ATOM 339 O ASN A 23 88.571 -19.983 -36.766 1.00 0.00 O ATOM 340 CB ASN A 23 89.193 -17.012 -35.325 1.00 0.00 C ATOM 341 CG ASN A 23 88.807 -15.559 -35.073 1.00 0.00 C ATOM 342 OD1 ASN A 23 88.045 -14.975 -35.846 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.289 -14.936 -34.033 1.00 0.00 N ATOM 0 H ASN A 23 86.878 -16.165 -35.580 1.00 0.00 H new ATOM 0 HA ASN A 23 88.489 -17.526 -37.295 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.234 -17.555 -34.381 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.189 -17.061 -35.765 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.035 -13.964 -33.858 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.919 -15.421 -33.395 1.00 0.00 H new ATOM 350 N TYR A 24 87.528 -19.514 -34.828 1.00 0.00 N ATOM 351 CA TYR A 24 87.390 -20.916 -34.450 1.00 0.00 C ATOM 352 C TYR A 24 86.710 -21.708 -35.561 1.00 0.00 C ATOM 353 O TYR A 24 87.286 -22.650 -36.106 1.00 0.00 O ATOM 354 CB TYR A 24 86.570 -21.030 -33.163 1.00 0.00 C ATOM 355 CG TYR A 24 87.498 -21.023 -31.972 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.334 -19.924 -31.742 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.524 -22.116 -31.097 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.195 -19.916 -30.639 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.385 -22.109 -29.993 1.00 0.00 C ATOM 360 CZ TYR A 24 89.220 -21.009 -29.763 1.00 0.00 C ATOM 361 OH TYR A 24 90.068 -21.001 -28.675 1.00 0.00 O ATOM 0 H TYR A 24 87.149 -18.852 -34.151 1.00 0.00 H new ATOM 0 HA TYR A 24 88.386 -21.328 -34.285 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.866 -20.201 -33.093 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.982 -21.948 -33.174 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.314 -19.081 -32.417 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.880 -22.965 -31.274 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.840 -19.068 -30.463 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.405 -22.952 -29.319 1.00 0.00 H new ATOM 0 HH TYR A 24 89.960 -21.834 -28.170 1.00 0.00 H new ATOM 371 N ASP A 25 85.483 -21.320 -35.893 1.00 0.00 N ATOM 372 CA ASP A 25 84.735 -22.000 -36.946 1.00 0.00 C ATOM 373 C ASP A 25 85.424 -21.823 -38.295 1.00 0.00 C ATOM 374 O ASP A 25 85.555 -22.773 -39.066 1.00 0.00 O ATOM 375 CB ASP A 25 83.313 -21.441 -37.020 1.00 0.00 C ATOM 376 CG ASP A 25 82.528 -21.847 -35.776 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.003 -22.708 -35.055 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.464 -21.289 -35.565 1.00 0.00 O ATOM 0 H ASP A 25 84.988 -20.545 -35.453 1.00 0.00 H new ATOM 0 HA ASP A 25 84.696 -23.063 -36.709 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.344 -20.355 -37.102 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.813 -21.814 -37.914 1.00 0.00 H new ATOM 383 N CYS A 26 85.860 -20.599 -38.574 1.00 0.00 N ATOM 384 CA CYS A 26 86.528 -20.307 -39.838 1.00 0.00 C ATOM 385 C CYS A 26 87.799 -21.137 -39.978 1.00 0.00 C ATOM 386 O CYS A 26 88.179 -21.528 -41.082 1.00 0.00 O ATOM 387 CB CYS A 26 86.877 -18.819 -39.912 1.00 0.00 C ATOM 388 SG CYS A 26 86.155 -18.105 -41.410 1.00 0.00 S ATOM 0 H CYS A 26 85.764 -19.799 -37.948 1.00 0.00 H new ATOM 0 HA CYS A 26 85.850 -20.563 -40.653 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.499 -18.301 -39.031 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.959 -18.688 -39.919 1.00 0.00 H new ATOM 393 N LYS A 27 88.453 -21.404 -38.852 1.00 0.00 N ATOM 394 CA LYS A 27 89.684 -22.187 -38.863 1.00 0.00 C ATOM 395 C LYS A 27 89.368 -23.679 -38.915 1.00 0.00 C ATOM 396 O LYS A 27 90.057 -24.447 -39.586 1.00 0.00 O ATOM 397 CB LYS A 27 90.510 -21.882 -37.611 1.00 0.00 C ATOM 398 CG LYS A 27 91.117 -20.483 -37.730 1.00 0.00 C ATOM 399 CD LYS A 27 91.485 -19.965 -36.339 1.00 0.00 C ATOM 400 CE LYS A 27 92.232 -18.637 -36.468 1.00 0.00 C ATOM 401 NZ LYS A 27 93.636 -18.897 -36.895 1.00 0.00 N ATOM 0 H LYS A 27 88.155 -21.093 -37.928 1.00 0.00 H new ATOM 0 HA LYS A 27 90.257 -21.916 -39.750 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.881 -21.943 -36.723 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.300 -22.624 -37.493 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.003 -20.512 -38.365 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.407 -19.806 -38.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.584 -19.831 -35.740 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.107 -20.695 -35.821 1.00 0.00 H new ATOM 0 HE2 LYS A 27 91.733 -17.995 -37.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.222 -18.108 -35.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.943 -18.150 -37.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.257 -18.903 -36.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.689 -19.820 -37.372 1.00 0.00 H new ATOM 415 N LEU A 28 88.322 -24.082 -38.202 1.00 0.00 N ATOM 416 CA LEU A 28 87.940 -25.488 -38.152 1.00 0.00 C ATOM 417 C LEU A 28 87.105 -25.860 -39.373 1.00 0.00 C ATOM 418 O LEU A 28 87.043 -27.026 -39.764 1.00 0.00 O ATOM 419 CB LEU A 28 87.139 -25.767 -36.879 1.00 0.00 C ATOM 420 CG LEU A 28 87.980 -25.395 -35.656 1.00 0.00 C ATOM 421 CD1 LEU A 28 87.059 -25.113 -34.468 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.916 -26.556 -35.310 1.00 0.00 C ATOM 0 H LEU A 28 87.727 -23.460 -37.654 1.00 0.00 H new ATOM 0 HA LEU A 28 88.848 -26.092 -38.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.213 -25.192 -36.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.860 -26.820 -36.835 1.00 0.00 H new ATOM 0 HG LEU A 28 88.569 -24.505 -35.878 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.659 -24.848 -33.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.391 -24.287 -34.713 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.470 -26.002 -34.245 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.516 -26.293 -34.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.326 -27.445 -35.089 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.573 -26.758 -36.156 1.00 0.00 H new ATOM 434 N ASP A 29 86.463 -24.861 -39.972 1.00 0.00 N ATOM 435 CA ASP A 29 85.582 -25.104 -41.107 1.00 0.00 C ATOM 436 C ASP A 29 86.356 -25.003 -42.417 1.00 0.00 C ATOM 437 O ASP A 29 86.447 -25.969 -43.173 1.00 0.00 O ATOM 438 CB ASP A 29 84.438 -24.087 -41.109 1.00 0.00 C ATOM 439 CG ASP A 29 83.592 -24.253 -39.852 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.838 -25.193 -39.114 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.708 -23.437 -39.645 1.00 0.00 O ATOM 0 H ASP A 29 86.536 -23.883 -39.692 1.00 0.00 H new ATOM 0 HA ASP A 29 85.173 -26.110 -41.016 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.840 -23.075 -41.156 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.819 -24.225 -41.995 1.00 0.00 H new ATOM 446 N LYS A 30 86.916 -23.825 -42.678 1.00 0.00 N ATOM 447 CA LYS A 30 87.610 -23.581 -43.938 1.00 0.00 C ATOM 448 C LYS A 30 89.103 -23.388 -43.695 1.00 0.00 C ATOM 449 O LYS A 30 89.882 -23.251 -44.639 1.00 0.00 O ATOM 450 CB LYS A 30 87.034 -22.339 -44.619 1.00 0.00 C ATOM 451 CG LYS A 30 85.515 -22.312 -44.437 1.00 0.00 C ATOM 452 CD LYS A 30 84.894 -23.518 -45.145 1.00 0.00 C ATOM 453 CE LYS A 30 83.370 -23.385 -45.141 1.00 0.00 C ATOM 454 NZ LYS A 30 82.774 -24.475 -45.963 1.00 0.00 N ATOM 0 H LYS A 30 86.903 -23.030 -42.039 1.00 0.00 H new ATOM 0 HA LYS A 30 87.468 -24.446 -44.586 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.478 -21.439 -44.192 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.283 -22.345 -45.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.265 -22.331 -43.376 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.106 -21.387 -44.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.261 -23.580 -46.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.190 -24.439 -44.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.992 -23.437 -44.120 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.078 -22.413 -45.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.738 -24.385 -45.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.125 -24.405 -46.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.042 -25.397 -45.564 1.00 0.00 H new ATOM 468 N HIS A 31 89.495 -23.379 -42.425 1.00 0.00 N ATOM 469 CA HIS A 31 90.900 -23.210 -42.069 1.00 0.00 C ATOM 470 C HIS A 31 91.377 -21.803 -42.414 1.00 0.00 C ATOM 471 O HIS A 31 92.276 -21.625 -43.235 1.00 0.00 O ATOM 472 CB HIS A 31 91.755 -24.236 -42.815 1.00 0.00 C ATOM 473 CG HIS A 31 91.050 -25.564 -42.829 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.200 -26.491 -41.809 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.185 -26.135 -43.731 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.444 -27.561 -42.120 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.805 -27.396 -43.280 1.00 0.00 N ATOM 0 H HIS A 31 88.865 -23.486 -41.630 1.00 0.00 H new ATOM 0 HA HIS A 31 91.002 -23.363 -40.995 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.938 -23.899 -43.835 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.727 -24.334 -42.332 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.851 -25.676 -44.650 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.364 -28.445 -41.505 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.173 -28.053 -43.738 1.00 0.00 H new ATOM 485 N ALA A 32 90.768 -20.805 -41.781 1.00 0.00 N ATOM 486 CA ALA A 32 91.142 -19.417 -42.026 1.00 0.00 C ATOM 487 C ALA A 32 92.263 -18.990 -41.083 1.00 0.00 C ATOM 488 O ALA A 32 92.902 -19.827 -40.444 1.00 0.00 O ATOM 489 CB ALA A 32 89.931 -18.505 -41.827 1.00 0.00 C ATOM 0 H ALA A 32 90.019 -20.930 -41.100 1.00 0.00 H new ATOM 0 HA ALA A 32 91.494 -19.332 -43.054 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.220 -17.471 -42.012 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.142 -18.791 -42.522 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.566 -18.602 -40.804 1.00 0.00 H new ATOM 495 N ARG A 33 92.496 -17.685 -41.001 1.00 0.00 N ATOM 496 CA ARG A 33 93.552 -17.159 -40.144 1.00 0.00 C ATOM 497 C ARG A 33 92.962 -16.281 -39.046 1.00 0.00 C ATOM 498 O ARG A 33 93.314 -16.415 -37.874 1.00 0.00 O ATOM 499 CB ARG A 33 94.542 -16.342 -40.977 1.00 0.00 C ATOM 500 CG ARG A 33 95.163 -17.236 -42.052 1.00 0.00 C ATOM 501 CD ARG A 33 96.214 -16.443 -42.830 1.00 0.00 C ATOM 502 NE ARG A 33 96.610 -17.170 -44.030 1.00 0.00 N ATOM 503 CZ ARG A 33 97.334 -18.283 -43.951 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.704 -18.739 -42.786 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.675 -18.918 -45.039 1.00 0.00 N ATOM 0 H ARG A 33 91.972 -16.976 -41.514 1.00 0.00 H new ATOM 0 HA ARG A 33 94.072 -17.998 -39.682 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.033 -15.497 -41.441 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.322 -15.931 -40.335 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.620 -18.112 -41.592 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.390 -17.598 -42.730 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.814 -15.467 -43.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.086 -16.265 -42.200 1.00 0.00 H new ATOM 0 HE ARG A 33 96.327 -16.819 -44.945 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.438 -18.242 -41.936 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.259 -19.593 -42.725 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.386 -18.561 -45.950 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.230 -19.772 -44.979 1.00 0.00 H new ATOM 519 N SER A 34 92.062 -15.381 -39.433 1.00 0.00 N ATOM 520 CA SER A 34 91.469 -14.451 -38.480 1.00 0.00 C ATOM 521 C SER A 34 89.949 -14.579 -38.479 1.00 0.00 C ATOM 522 O SER A 34 89.272 -14.050 -37.598 1.00 0.00 O ATOM 523 CB SER A 34 91.861 -13.017 -38.836 1.00 0.00 C ATOM 524 OG SER A 34 91.351 -12.131 -37.848 1.00 0.00 O ATOM 0 H SER A 34 91.730 -15.277 -40.392 1.00 0.00 H new ATOM 0 HA SER A 34 91.843 -14.694 -37.485 1.00 0.00 H new ATOM 0 HB2 SER A 34 92.946 -12.928 -38.895 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.466 -12.753 -39.817 1.00 0.00 H new ATOM 0 HG SER A 34 90.576 -12.541 -37.410 1.00 0.00 H new ATOM 530 N GLY A 35 89.419 -15.284 -39.473 1.00 0.00 N ATOM 531 CA GLY A 35 87.977 -15.467 -39.581 1.00 0.00 C ATOM 532 C GLY A 35 87.235 -14.214 -39.129 1.00 0.00 C ATOM 533 O GLY A 35 86.555 -14.222 -38.103 1.00 0.00 O ATOM 0 H GLY A 35 89.962 -15.735 -40.210 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.712 -15.699 -40.612 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.668 -16.317 -38.973 1.00 0.00 H new ATOM 537 N GLU A 36 87.370 -13.142 -39.901 1.00 0.00 N ATOM 538 CA GLU A 36 86.723 -11.881 -39.559 1.00 0.00 C ATOM 539 C GLU A 36 85.353 -11.784 -40.220 1.00 0.00 C ATOM 540 O GLU A 36 85.143 -12.305 -41.315 1.00 0.00 O ATOM 541 CB GLU A 36 87.594 -10.706 -40.011 1.00 0.00 C ATOM 542 CG GLU A 36 88.692 -10.455 -38.977 1.00 0.00 C ATOM 543 CD GLU A 36 88.086 -9.885 -37.699 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.967 -9.402 -37.762 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.749 -9.938 -36.676 1.00 0.00 O ATOM 0 H GLU A 36 87.917 -13.120 -40.762 1.00 0.00 H new ATOM 0 HA GLU A 36 86.595 -11.843 -38.477 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.038 -10.922 -40.983 1.00 0.00 H new ATOM 0 HB3 GLU A 36 86.982 -9.812 -40.131 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.215 -11.386 -38.757 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.430 -9.762 -39.380 1.00 0.00 H new ATOM 552 N CYS A 37 84.423 -11.115 -39.547 1.00 0.00 N ATOM 553 CA CYS A 37 83.071 -10.964 -40.072 1.00 0.00 C ATOM 554 C CYS A 37 82.943 -9.662 -40.858 1.00 0.00 C ATOM 555 O CYS A 37 83.664 -8.698 -40.601 1.00 0.00 O ATOM 556 CB CYS A 37 81.965 -10.869 -38.984 1.00 0.00 C ATOM 557 SG CYS A 37 82.114 -12.141 -37.706 1.00 0.00 S ATOM 0 H CYS A 37 84.579 -10.671 -38.642 1.00 0.00 H new ATOM 0 HA CYS A 37 82.925 -11.860 -40.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.008 -9.886 -38.516 1.00 0.00 H new ATOM 0 HB3 CYS A 37 80.988 -10.953 -39.460 1.00 0.00 H new ATOM 562 N PHE A 38 82.022 -9.644 -41.816 1.00 0.00 N ATOM 563 CA PHE A 38 81.775 -8.441 -42.601 1.00 0.00 C ATOM 564 C PHE A 38 80.312 -8.368 -43.025 1.00 0.00 C ATOM 565 O PHE A 38 79.693 -9.387 -43.333 1.00 0.00 O ATOM 566 CB PHE A 38 82.668 -8.435 -43.843 1.00 0.00 C ATOM 567 CG PHE A 38 84.116 -8.371 -43.422 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.743 -7.131 -43.251 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.834 -9.554 -43.204 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.085 -7.073 -42.860 1.00 0.00 C ATOM 571 CE2 PHE A 38 86.176 -9.495 -42.813 1.00 0.00 C ATOM 572 CZ PHE A 38 86.803 -8.254 -42.642 1.00 0.00 C ATOM 0 H PHE A 38 81.439 -10.442 -42.066 1.00 0.00 H new ATOM 0 HA PHE A 38 82.006 -7.574 -41.983 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.490 -9.332 -44.436 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.424 -7.581 -44.475 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.190 -6.219 -43.421 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.352 -10.511 -43.338 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.567 -6.116 -42.726 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.729 -10.407 -42.643 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.840 -8.209 -42.342 1.00 0.00 H new ATOM 582 N TYR A 39 79.763 -7.158 -43.038 1.00 0.00 N ATOM 583 CA TYR A 39 78.369 -6.966 -43.423 1.00 0.00 C ATOM 584 C TYR A 39 78.160 -7.345 -44.885 1.00 0.00 C ATOM 585 O TYR A 39 78.844 -6.835 -45.772 1.00 0.00 O ATOM 586 CB TYR A 39 77.965 -5.506 -43.208 1.00 0.00 C ATOM 587 CG TYR A 39 77.753 -5.253 -41.734 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.491 -5.451 -41.163 1.00 0.00 C ATOM 589 CD2 TYR A 39 78.822 -4.823 -40.938 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.296 -5.217 -39.797 1.00 0.00 C ATOM 591 CE2 TYR A 39 78.627 -4.591 -39.571 1.00 0.00 C ATOM 592 CZ TYR A 39 77.364 -4.788 -39.001 1.00 0.00 C ATOM 593 OH TYR A 39 77.172 -4.558 -37.653 1.00 0.00 O ATOM 0 H TYR A 39 80.257 -6.301 -42.788 1.00 0.00 H new ATOM 0 HA TYR A 39 77.747 -7.610 -42.801 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.739 -4.843 -43.594 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.052 -5.285 -43.761 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.667 -5.784 -41.777 1.00 0.00 H new ATOM 0 HD2 TYR A 39 79.796 -4.670 -41.378 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.321 -5.368 -39.357 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.451 -4.260 -38.956 1.00 0.00 H new ATOM 0 HH TYR A 39 78.015 -4.266 -37.248 1.00 0.00 H new ATOM 603 N ASP A 40 77.212 -8.244 -45.129 1.00 0.00 N ATOM 604 CA ASP A 40 76.922 -8.685 -46.487 1.00 0.00 C ATOM 605 C ASP A 40 75.637 -8.040 -46.999 1.00 0.00 C ATOM 606 O ASP A 40 75.185 -7.026 -46.466 1.00 0.00 O ATOM 607 CB ASP A 40 76.778 -10.208 -46.522 1.00 0.00 C ATOM 608 CG ASP A 40 78.124 -10.864 -46.232 1.00 0.00 C ATOM 609 OD1 ASP A 40 79.085 -10.139 -46.031 1.00 0.00 O ATOM 610 OD2 ASP A 40 78.175 -12.083 -46.214 1.00 0.00 O ATOM 0 H ASP A 40 76.635 -8.679 -44.409 1.00 0.00 H new ATOM 0 HA ASP A 40 77.748 -8.382 -47.130 1.00 0.00 H new ATOM 0 HB2 ASP A 40 76.041 -10.529 -45.786 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.412 -10.525 -47.499 1.00 0.00 H new ATOM 615 N GLU A 41 75.053 -8.635 -48.034 1.00 0.00 N ATOM 616 CA GLU A 41 73.824 -8.107 -48.613 1.00 0.00 C ATOM 617 C GLU A 41 72.682 -8.180 -47.605 1.00 0.00 C ATOM 618 O GLU A 41 71.698 -7.449 -47.714 1.00 0.00 O ATOM 619 CB GLU A 41 73.453 -8.904 -49.865 1.00 0.00 C ATOM 620 CG GLU A 41 74.552 -8.743 -50.918 1.00 0.00 C ATOM 621 CD GLU A 41 74.165 -9.483 -52.193 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.199 -10.228 -52.154 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.841 -9.295 -53.192 1.00 0.00 O ATOM 0 H GLU A 41 75.408 -9.477 -48.486 1.00 0.00 H new ATOM 0 HA GLU A 41 73.990 -7.064 -48.882 1.00 0.00 H new ATOM 0 HB2 GLU A 41 73.327 -9.957 -49.614 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.500 -8.554 -50.262 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.708 -7.686 -51.134 1.00 0.00 H new ATOM 0 HG3 GLU A 41 75.495 -9.132 -50.534 1.00 0.00 H new ATOM 630 N LYS A 42 72.821 -9.065 -46.623 1.00 0.00 N ATOM 631 CA LYS A 42 71.794 -9.225 -45.601 1.00 0.00 C ATOM 632 C LYS A 42 72.156 -8.434 -44.348 1.00 0.00 C ATOM 633 O LYS A 42 71.660 -8.718 -43.258 1.00 0.00 O ATOM 634 CB LYS A 42 71.638 -10.706 -45.244 1.00 0.00 C ATOM 635 CG LYS A 42 71.279 -11.499 -46.502 1.00 0.00 C ATOM 636 CD LYS A 42 70.859 -12.917 -46.109 1.00 0.00 C ATOM 637 CE LYS A 42 71.996 -13.591 -45.339 1.00 0.00 C ATOM 638 NZ LYS A 42 73.301 -13.222 -45.957 1.00 0.00 N ATOM 0 H LYS A 42 73.629 -9.678 -46.514 1.00 0.00 H new ATOM 0 HA LYS A 42 70.852 -8.845 -45.997 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.564 -11.087 -44.813 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.861 -10.829 -44.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 70.469 -11.004 -47.038 1.00 0.00 H new ATOM 0 HG3 LYS A 42 72.133 -11.536 -47.178 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.959 -12.884 -45.495 1.00 0.00 H new ATOM 0 HD3 LYS A 42 70.616 -13.496 -47.000 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.976 -13.281 -44.294 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.868 -14.673 -45.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.996 -13.974 -45.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 73.178 -13.104 -46.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 73.641 -12.330 -45.544 1.00 0.00 H new ATOM 652 N ARG A 43 73.024 -7.442 -44.512 1.00 0.00 N ATOM 653 CA ARG A 43 73.459 -6.626 -43.384 1.00 0.00 C ATOM 654 C ARG A 43 73.770 -7.505 -42.177 1.00 0.00 C ATOM 655 O ARG A 43 73.762 -7.037 -41.038 1.00 0.00 O ATOM 656 CB ARG A 43 72.368 -5.618 -43.017 1.00 0.00 C ATOM 657 CG ARG A 43 72.455 -4.409 -43.950 1.00 0.00 C ATOM 658 CD ARG A 43 71.153 -3.610 -43.874 1.00 0.00 C ATOM 659 NE ARG A 43 70.559 -3.739 -42.548 1.00 0.00 N ATOM 660 CZ ARG A 43 69.719 -2.820 -42.080 1.00 0.00 C ATOM 661 NH1 ARG A 43 69.415 -1.781 -42.809 1.00 0.00 N ATOM 662 NH2 ARG A 43 69.200 -2.957 -40.891 1.00 0.00 N ATOM 0 H ARG A 43 73.438 -7.184 -45.408 1.00 0.00 H new ATOM 0 HA ARG A 43 74.364 -6.091 -43.673 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.386 -6.084 -43.098 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.485 -5.300 -41.981 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.298 -3.778 -43.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.632 -4.739 -44.974 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.349 -2.560 -44.092 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.454 -3.967 -44.630 1.00 0.00 H new ATOM 0 HE ARG A 43 70.792 -4.547 -41.970 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.822 -1.673 -43.738 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.771 -1.077 -42.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 69.438 -3.768 -40.321 1.00 0.00 H new ATOM 0 HH22 ARG A 43 68.556 -2.253 -40.531 1.00 0.00 H new ATOM 676 N ASN A 44 74.044 -8.779 -42.434 1.00 0.00 N ATOM 677 CA ASN A 44 74.360 -9.715 -41.361 1.00 0.00 C ATOM 678 C ASN A 44 75.866 -9.939 -41.272 1.00 0.00 C ATOM 679 O ASN A 44 76.577 -9.849 -42.274 1.00 0.00 O ATOM 680 CB ASN A 44 73.656 -11.051 -41.607 1.00 0.00 C ATOM 681 CG ASN A 44 72.175 -10.930 -41.268 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.709 -9.855 -40.891 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.402 -11.977 -41.378 1.00 0.00 N ATOM 0 H ASN A 44 74.054 -9.186 -43.369 1.00 0.00 H new ATOM 0 HA ASN A 44 74.011 -9.290 -40.420 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.776 -11.348 -42.649 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.114 -11.830 -40.998 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.410 -11.905 -41.151 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.790 -12.867 -41.691 1.00 0.00 H new ATOM 690 N LEU A 45 76.347 -10.232 -40.068 1.00 0.00 N ATOM 691 CA LEU A 45 77.768 -10.488 -39.865 1.00 0.00 C ATOM 692 C LEU A 45 78.106 -11.937 -40.202 1.00 0.00 C ATOM 693 O LEU A 45 77.754 -12.855 -39.461 1.00 0.00 O ATOM 694 CB LEU A 45 78.149 -10.198 -38.412 1.00 0.00 C ATOM 695 CG LEU A 45 77.782 -8.754 -38.065 1.00 0.00 C ATOM 696 CD1 LEU A 45 78.010 -8.512 -36.573 1.00 0.00 C ATOM 697 CD2 LEU A 45 78.658 -7.797 -38.877 1.00 0.00 C ATOM 0 H LEU A 45 75.778 -10.298 -39.224 1.00 0.00 H new ATOM 0 HA LEU A 45 78.334 -9.832 -40.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.630 -10.886 -37.745 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.217 -10.358 -38.267 1.00 0.00 H new ATOM 0 HG LEU A 45 76.733 -8.579 -38.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.748 -7.483 -36.327 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.386 -9.193 -35.994 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.059 -8.687 -36.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 78.397 -6.768 -38.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.707 -7.973 -38.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.494 -7.968 -39.941 1.00 0.00 H new ATOM 709 N GLN A 46 78.790 -12.133 -41.323 1.00 0.00 N ATOM 710 CA GLN A 46 79.166 -13.476 -41.752 1.00 0.00 C ATOM 711 C GLN A 46 80.667 -13.691 -41.584 1.00 0.00 C ATOM 712 O GLN A 46 81.476 -12.959 -42.156 1.00 0.00 O ATOM 713 CB GLN A 46 78.780 -13.684 -43.218 1.00 0.00 C ATOM 714 CG GLN A 46 77.325 -13.259 -43.428 1.00 0.00 C ATOM 715 CD GLN A 46 76.389 -14.250 -42.746 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.840 -15.255 -42.197 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.103 -14.026 -42.748 1.00 0.00 N ATOM 0 H GLN A 46 79.094 -11.386 -41.948 1.00 0.00 H new ATOM 0 HA GLN A 46 78.635 -14.197 -41.131 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.437 -13.102 -43.864 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.908 -14.731 -43.494 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.167 -12.259 -43.023 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.102 -13.210 -44.494 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.731 -13.193 -43.204 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.470 -14.684 -42.294 1.00 0.00 H new ATOM 726 N CYS A 47 81.031 -14.699 -40.797 1.00 0.00 N ATOM 727 CA CYS A 47 82.438 -15.015 -40.581 1.00 0.00 C ATOM 728 C CYS A 47 83.129 -15.316 -41.908 1.00 0.00 C ATOM 729 O CYS A 47 82.837 -16.321 -42.556 1.00 0.00 O ATOM 730 CB CYS A 47 82.653 -16.246 -39.675 1.00 0.00 C ATOM 731 SG CYS A 47 81.803 -16.110 -38.084 1.00 0.00 S ATOM 0 H CYS A 47 80.377 -15.306 -40.302 1.00 0.00 H new ATOM 0 HA CYS A 47 82.859 -14.136 -40.094 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.301 -17.138 -40.194 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.721 -16.379 -39.500 1.00 0.00 H new ATOM 736 N ILE A 48 84.048 -14.441 -42.304 1.00 0.00 N ATOM 737 CA ILE A 48 84.759 -14.614 -43.566 1.00 0.00 C ATOM 738 C ILE A 48 86.151 -15.188 -43.322 1.00 0.00 C ATOM 739 O ILE A 48 86.985 -14.561 -42.670 1.00 0.00 O ATOM 740 CB ILE A 48 84.878 -13.269 -44.286 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.479 -12.739 -44.609 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.666 -13.453 -45.584 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.571 -11.712 -45.739 1.00 0.00 C ATOM 0 H ILE A 48 84.316 -13.612 -41.774 1.00 0.00 H new ATOM 0 HA ILE A 48 84.195 -15.310 -44.187 1.00 0.00 H new ATOM 0 HB ILE A 48 85.397 -12.558 -43.644 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.826 -13.561 -44.902 1.00 0.00 H new ATOM 0 HG13 ILE A 48 83.038 -12.282 -43.723 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.751 -12.495 -46.097 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.662 -13.831 -45.354 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.147 -14.164 -46.227 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.575 -11.334 -45.969 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.210 -10.885 -45.428 1.00 0.00 H new ATOM 0 HD13 ILE A 48 83.994 -12.184 -46.626 1.00 0.00 H new ATOM 755 N CYS A 49 86.393 -16.383 -43.850 1.00 0.00 N ATOM 756 CA CYS A 49 87.697 -17.019 -43.709 1.00 0.00 C ATOM 757 C CYS A 49 88.703 -16.398 -44.673 1.00 0.00 C ATOM 758 O CYS A 49 88.561 -16.508 -45.890 1.00 0.00 O ATOM 759 CB CYS A 49 87.592 -18.506 -44.039 1.00 0.00 C ATOM 760 SG CYS A 49 86.592 -19.443 -42.858 1.00 0.00 S ATOM 0 H CYS A 49 85.709 -16.927 -44.376 1.00 0.00 H new ATOM 0 HA CYS A 49 88.028 -16.877 -42.680 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.163 -18.619 -45.035 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.594 -18.933 -44.073 1.00 0.00 H new ATOM 765 N ASP A 50 89.722 -15.747 -44.118 1.00 0.00 N ATOM 766 CA ASP A 50 90.726 -15.080 -44.939 1.00 0.00 C ATOM 767 C ASP A 50 92.048 -15.839 -44.888 1.00 0.00 C ATOM 768 O ASP A 50 92.675 -15.944 -43.835 1.00 0.00 O ATOM 769 CB ASP A 50 90.938 -13.648 -44.445 1.00 0.00 C ATOM 770 CG ASP A 50 89.596 -13.012 -44.096 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.581 -13.632 -44.367 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.604 -11.914 -43.563 1.00 0.00 O ATOM 0 H ASP A 50 89.873 -15.668 -43.112 1.00 0.00 H new ATOM 0 HA ASP A 50 90.371 -15.059 -45.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.588 -13.649 -43.570 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.439 -13.060 -45.214 1.00 0.00 H new ATOM 777 N TYR A 51 92.466 -16.365 -46.035 1.00 0.00 N ATOM 778 CA TYR A 51 93.739 -17.070 -46.122 1.00 0.00 C ATOM 779 C TYR A 51 94.781 -16.207 -46.828 1.00 0.00 C ATOM 780 O TYR A 51 95.286 -16.571 -47.890 1.00 0.00 O ATOM 781 CB TYR A 51 93.557 -18.383 -46.884 1.00 0.00 C ATOM 782 CG TYR A 51 92.149 -18.889 -46.685 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.134 -18.503 -47.570 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.856 -19.742 -45.614 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.827 -18.972 -47.384 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.549 -20.210 -45.428 1.00 0.00 C ATOM 787 CZ TYR A 51 89.535 -19.825 -46.314 1.00 0.00 C ATOM 788 OH TYR A 51 88.247 -20.286 -46.131 1.00 0.00 O ATOM 0 H TYR A 51 91.946 -16.317 -46.911 1.00 0.00 H new ATOM 0 HA TYR A 51 94.086 -17.284 -45.111 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.753 -18.230 -47.945 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.274 -19.124 -46.530 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.359 -17.844 -48.396 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.638 -20.039 -44.931 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.045 -18.675 -48.067 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.323 -20.868 -44.602 1.00 0.00 H new ATOM 0 HH TYR A 51 87.907 -20.652 -46.974 1.00 0.00 H new ATOM 798 N CYS A 52 95.098 -15.063 -46.230 1.00 0.00 N ATOM 799 CA CYS A 52 96.064 -14.145 -46.821 1.00 0.00 C ATOM 800 C CYS A 52 96.376 -13.002 -45.860 1.00 0.00 C ATOM 801 O CYS A 52 96.021 -13.055 -44.682 1.00 0.00 O ATOM 802 CB CYS A 52 95.511 -13.576 -48.130 1.00 0.00 C ATOM 803 SG CYS A 52 95.833 -14.741 -49.477 1.00 0.00 S ATOM 0 H CYS A 52 94.703 -14.751 -45.343 1.00 0.00 H new ATOM 0 HA CYS A 52 96.983 -14.696 -47.023 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.440 -13.397 -48.038 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.977 -12.615 -48.347 1.00 0.00 H new ATOM 808 N GLU A 53 97.041 -11.970 -46.369 1.00 0.00 N ATOM 809 CA GLU A 53 97.377 -10.811 -45.551 1.00 0.00 C ATOM 810 C GLU A 53 96.531 -9.607 -45.955 1.00 0.00 C ATOM 811 O GLU A 53 97.026 -8.671 -46.583 1.00 0.00 O ATOM 812 CB GLU A 53 98.860 -10.471 -45.711 1.00 0.00 C ATOM 813 CG GLU A 53 99.706 -11.545 -45.023 1.00 0.00 C ATOM 814 CD GLU A 53 99.543 -11.446 -43.509 1.00 0.00 C ATOM 815 OE1 GLU A 53 99.075 -10.418 -43.050 1.00 0.00 O ATOM 816 OE2 GLU A 53 99.889 -12.402 -42.834 1.00 0.00 O ATOM 0 H GLU A 53 97.356 -11.913 -47.337 1.00 0.00 H new ATOM 0 HA GLU A 53 97.170 -11.053 -44.509 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.118 -10.411 -46.768 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.069 -9.494 -45.276 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.402 -12.534 -45.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 100.755 -11.422 -45.293 1.00 0.00 H new ATOM 823 N TYR A 54 95.254 -9.638 -45.588 1.00 0.00 N ATOM 824 CA TYR A 54 94.351 -8.538 -45.909 1.00 0.00 C ATOM 825 C TYR A 54 94.608 -8.029 -47.324 1.00 0.00 C ATOM 826 CB TYR A 54 94.543 -7.395 -44.910 1.00 0.00 C ATOM 827 CG TYR A 54 94.420 -7.930 -43.504 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.512 -8.562 -42.898 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.215 -7.792 -42.805 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.400 -9.058 -41.594 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.102 -8.287 -41.501 1.00 0.00 C ATOM 832 CZ TYR A 54 94.194 -8.921 -40.895 1.00 0.00 C ATOM 833 OH TYR A 54 94.081 -9.409 -39.609 1.00 0.00 O ATOM 0 H TYR A 54 94.824 -10.406 -45.072 1.00 0.00 H new ATOM 0 HA TYR A 54 93.326 -8.905 -45.848 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.521 -6.935 -45.051 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.797 -6.619 -45.082 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.442 -8.667 -43.437 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.373 -7.304 -43.272 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.243 -9.546 -41.127 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.172 -8.180 -40.962 1.00 0.00 H new ATOM 0 HH TYR A 54 93.179 -9.230 -39.269 1.00 0.00 H new TER 843 TYR A 54