USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 624 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 71 TYR OH : rot 45:sc= 1.3 USER MOD Set 1.2: A 75 MET CE :methyl 167:sc=-0.00752 (180deg=-0.0732) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.97 X(o=-11,f=-11) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 31 HIS : no HE2:sc= -9.24 X(o=-11,f=-12!) USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 45 CYS SG : rot -21:sc= -2.26 USER MOD Set 3.3: A 50 LYS NZ :NH3+ 173:sc= -0.915 (180deg=-1.1) USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0.276 USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 1 MET CE :methyl -130:sc= -0.746 (180deg=-2.13!) USER MOD Single : A 1 MET N :NH3+ -105:sc=-0.00865 (180deg=-0.0591) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.642 (180deg=-1.47) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 23 SER OG : rot 100:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.374 (180deg=-0.445) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.718 K(o=-0.72,f=-13!) USER MOD Single : A 42 SER OG : rot -67:sc= -1.46! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0109) USER MOD Single : A 46 SER OG : rot -81:sc= 0.713 USER MOD Single : A 51 THR OG1 : rot 14:sc= -0.937 USER MOD Single : A 52 MET CE :methyl -170:sc= -0.603 (180deg=-0.99) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.22 (180deg=0.955) USER MOD Single : A 58 SER OG : rot -104:sc= 0.603 USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0186) USER MOD Single : A 63 MET CE :methyl -151:sc= 0 (180deg=-0.00609) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= -0.0966 (180deg=-0.435) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.474 21.275 -3.969 1.00 0.00 N ATOM 2 CA MET A 1 -20.897 19.846 -4.030 1.00 0.00 C ATOM 3 C MET A 1 -19.987 19.065 -4.982 1.00 0.00 C ATOM 4 O MET A 1 -19.348 18.105 -4.594 1.00 0.00 O ATOM 5 CB MET A 1 -22.329 19.879 -4.564 1.00 0.00 C ATOM 6 CG MET A 1 -23.299 20.144 -3.410 1.00 0.00 C ATOM 7 SD MET A 1 -23.563 18.614 -2.481 1.00 0.00 S ATOM 8 CE MET A 1 -22.536 19.036 -1.052 1.00 0.00 C ATOM 0 H1 MET A 1 -19.983 21.454 -3.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.832 21.481 -4.761 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.312 21.888 -4.033 1.00 0.00 H new ATOM 0 HA MET A 1 -20.836 19.356 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.428 20.656 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.571 18.932 -5.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.898 20.916 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.248 20.516 -3.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.849 18.216 -0.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.967 19.940 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.173 19.207 -0.184 1.00 0.00 H new ATOM 20 N GLY A 2 -19.925 19.473 -6.223 1.00 0.00 N ATOM 21 CA GLY A 2 -19.059 18.762 -7.209 1.00 0.00 C ATOM 22 C GLY A 2 -18.735 19.698 -8.375 1.00 0.00 C ATOM 23 O GLY A 2 -18.502 20.876 -8.189 1.00 0.00 O ATOM 0 H GLY A 2 -20.439 20.271 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.138 18.431 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.565 17.869 -7.576 1.00 0.00 H new ATOM 27 N LYS A 3 -18.718 19.178 -9.581 1.00 0.00 N ATOM 28 CA LYS A 3 -18.410 20.025 -10.781 1.00 0.00 C ATOM 29 C LYS A 3 -17.092 20.787 -10.585 1.00 0.00 C ATOM 30 O LYS A 3 -17.082 21.917 -10.136 1.00 0.00 O ATOM 31 CB LYS A 3 -19.582 21.003 -10.902 1.00 0.00 C ATOM 32 CG LYS A 3 -19.638 21.559 -12.327 1.00 0.00 C ATOM 33 CD LYS A 3 -20.959 22.301 -12.534 1.00 0.00 C ATOM 34 CE LYS A 3 -20.878 23.143 -13.809 1.00 0.00 C ATOM 35 NZ LYS A 3 -22.279 23.573 -14.076 1.00 0.00 N ATOM 0 H LYS A 3 -18.905 18.197 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.291 19.420 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.517 20.498 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.465 21.817 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.799 22.233 -12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.548 20.748 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.781 21.589 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -21.167 22.940 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.220 24.002 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.478 22.563 -14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.305 24.156 -14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.880 22.735 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -22.631 24.129 -13.271 1.00 0.00 H new ATOM 49 N GLY A 4 -15.986 20.171 -10.920 1.00 0.00 N ATOM 50 CA GLY A 4 -14.667 20.848 -10.757 1.00 0.00 C ATOM 51 C GLY A 4 -14.465 21.859 -11.888 1.00 0.00 C ATOM 52 O GLY A 4 -14.902 21.650 -13.003 1.00 0.00 O ATOM 0 H GLY A 4 -15.942 19.226 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.623 21.353 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.865 20.110 -10.768 1.00 0.00 H new ATOM 56 N ASP A 5 -13.803 22.952 -11.604 1.00 0.00 N ATOM 57 CA ASP A 5 -13.565 23.987 -12.657 1.00 0.00 C ATOM 58 C ASP A 5 -12.498 23.502 -13.655 1.00 0.00 C ATOM 59 O ASP A 5 -12.759 23.439 -14.839 1.00 0.00 O ATOM 60 CB ASP A 5 -13.078 25.227 -11.905 1.00 0.00 C ATOM 61 CG ASP A 5 -14.262 26.156 -11.630 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.128 25.770 -10.862 1.00 0.00 O ATOM 63 OD2 ASP A 5 -14.282 27.239 -12.192 1.00 0.00 O ATOM 0 H ASP A 5 -13.416 23.173 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.465 24.195 -13.235 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.606 24.934 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.322 25.748 -12.493 1.00 0.00 H new ATOM 68 N PRO A 6 -11.322 23.173 -13.156 1.00 0.00 N ATOM 69 CA PRO A 6 -10.237 22.696 -14.053 1.00 0.00 C ATOM 70 C PRO A 6 -10.527 21.272 -14.515 1.00 0.00 C ATOM 71 O PRO A 6 -10.341 20.926 -15.666 1.00 0.00 O ATOM 72 CB PRO A 6 -9.000 22.703 -13.162 1.00 0.00 C ATOM 73 CG PRO A 6 -9.531 22.550 -11.775 1.00 0.00 C ATOM 74 CD PRO A 6 -10.886 23.204 -11.747 1.00 0.00 C ATOM 0 HA PRO A 6 -10.127 23.310 -14.947 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.322 21.889 -13.419 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.439 23.631 -13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.606 21.497 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.862 23.018 -11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.578 22.662 -11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.830 24.225 -11.368 1.00 0.00 H new ATOM 82 N ASN A 7 -10.968 20.441 -13.608 1.00 0.00 N ATOM 83 CA ASN A 7 -11.261 19.031 -13.949 1.00 0.00 C ATOM 84 C ASN A 7 -12.689 18.687 -13.518 1.00 0.00 C ATOM 85 O ASN A 7 -13.520 19.559 -13.344 1.00 0.00 O ATOM 86 CB ASN A 7 -10.227 18.231 -13.141 1.00 0.00 C ATOM 87 CG ASN A 7 -9.194 17.617 -14.089 1.00 0.00 C ATOM 88 OD1 ASN A 7 -9.222 16.432 -14.355 1.00 0.00 O ATOM 89 ND2 ASN A 7 -8.277 18.385 -14.613 1.00 0.00 N ATOM 0 H ASN A 7 -11.138 20.690 -12.633 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.197 18.818 -15.016 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.732 18.882 -12.420 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.725 17.446 -12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.582 17.990 -15.247 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.255 19.380 -14.388 1.00 0.00 H new ATOM 96 N LYS A 8 -12.974 17.427 -13.348 1.00 0.00 N ATOM 97 CA LYS A 8 -14.346 17.011 -12.929 1.00 0.00 C ATOM 98 C LYS A 8 -14.267 15.835 -11.940 1.00 0.00 C ATOM 99 O LYS A 8 -14.758 14.759 -12.222 1.00 0.00 O ATOM 100 CB LYS A 8 -15.042 16.587 -14.225 1.00 0.00 C ATOM 101 CG LYS A 8 -16.559 16.666 -14.040 1.00 0.00 C ATOM 102 CD LYS A 8 -17.262 16.093 -15.277 1.00 0.00 C ATOM 103 CE LYS A 8 -17.730 14.663 -14.991 1.00 0.00 C ATOM 104 NZ LYS A 8 -16.478 13.873 -14.828 1.00 0.00 N ATOM 0 H LYS A 8 -12.314 16.661 -13.481 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.886 17.810 -12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.731 17.234 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.750 15.571 -14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.856 16.110 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.863 17.701 -13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.114 16.718 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.582 16.100 -16.129 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.343 14.621 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.338 14.276 -15.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.698 12.858 -14.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.808 14.124 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.052 14.085 -13.903 1.00 0.00 H new ATOM 118 N PRO A 9 -13.649 16.072 -10.801 1.00 0.00 N ATOM 119 CA PRO A 9 -13.522 15.001 -9.782 1.00 0.00 C ATOM 120 C PRO A 9 -14.868 14.761 -9.091 1.00 0.00 C ATOM 121 O PRO A 9 -15.436 15.656 -8.494 1.00 0.00 O ATOM 122 CB PRO A 9 -12.500 15.557 -8.796 1.00 0.00 C ATOM 123 CG PRO A 9 -12.585 17.043 -8.942 1.00 0.00 C ATOM 124 CD PRO A 9 -13.021 17.328 -10.357 1.00 0.00 C ATOM 0 HA PRO A 9 -13.219 14.043 -10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.728 15.248 -7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.497 15.196 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.296 17.460 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.620 17.506 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.723 18.161 -10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.174 17.595 -10.989 1.00 0.00 H new ATOM 132 N ARG A 10 -15.378 13.558 -9.169 1.00 0.00 N ATOM 133 CA ARG A 10 -16.687 13.250 -8.520 1.00 0.00 C ATOM 134 C ARG A 10 -16.459 12.544 -7.180 1.00 0.00 C ATOM 135 O ARG A 10 -17.264 11.740 -6.748 1.00 0.00 O ATOM 136 CB ARG A 10 -17.406 12.323 -9.500 1.00 0.00 C ATOM 137 CG ARG A 10 -18.896 12.271 -9.154 1.00 0.00 C ATOM 138 CD ARG A 10 -19.538 11.065 -9.846 1.00 0.00 C ATOM 139 NE ARG A 10 -19.688 11.475 -11.269 1.00 0.00 N ATOM 140 CZ ARG A 10 -20.763 11.146 -11.933 1.00 0.00 C ATOM 141 NH1 ARG A 10 -21.022 9.890 -12.173 1.00 0.00 N ATOM 142 NH2 ARG A 10 -21.578 12.073 -12.356 1.00 0.00 N ATOM 0 H ARG A 10 -14.943 12.774 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.267 14.149 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.271 12.680 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.976 11.323 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.027 12.197 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.387 13.191 -9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.912 10.177 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.503 10.822 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.951 12.013 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.385 9.166 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.862 9.632 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.375 13.055 -12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.418 11.816 -12.875 1.00 0.00 H new ATOM 156 N GLY A 11 -15.366 12.839 -6.524 1.00 0.00 N ATOM 157 CA GLY A 11 -15.074 12.191 -5.212 1.00 0.00 C ATOM 158 C GLY A 11 -14.623 10.749 -5.443 1.00 0.00 C ATOM 159 O GLY A 11 -14.333 10.351 -6.556 1.00 0.00 O ATOM 0 H GLY A 11 -14.661 13.504 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.297 12.746 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.962 12.208 -4.580 1.00 0.00 H new ATOM 163 N LYS A 12 -14.562 9.963 -4.399 1.00 0.00 N ATOM 164 CA LYS A 12 -14.130 8.541 -4.547 1.00 0.00 C ATOM 165 C LYS A 12 -15.204 7.602 -3.993 1.00 0.00 C ATOM 166 O LYS A 12 -15.962 7.965 -3.113 1.00 0.00 O ATOM 167 CB LYS A 12 -12.846 8.431 -3.724 1.00 0.00 C ATOM 168 CG LYS A 12 -11.771 9.337 -4.328 1.00 0.00 C ATOM 169 CD LYS A 12 -10.880 9.886 -3.212 1.00 0.00 C ATOM 170 CE LYS A 12 -11.594 11.044 -2.510 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.706 11.409 -1.372 1.00 0.00 N ATOM 0 H LYS A 12 -14.794 10.246 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.972 8.263 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.039 8.718 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.499 7.398 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.170 8.778 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.237 10.158 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.651 9.098 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.931 10.227 -3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.737 11.887 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.582 10.745 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.128 12.197 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.594 10.589 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.775 11.696 -1.736 1.00 0.00 H new ATOM 185 N MET A 13 -15.275 6.399 -4.505 1.00 0.00 N ATOM 186 CA MET A 13 -16.300 5.430 -4.013 1.00 0.00 C ATOM 187 C MET A 13 -15.649 4.343 -3.146 1.00 0.00 C ATOM 188 O MET A 13 -16.207 3.282 -2.957 1.00 0.00 O ATOM 189 CB MET A 13 -16.902 4.818 -5.279 1.00 0.00 C ATOM 190 CG MET A 13 -18.124 5.630 -5.706 1.00 0.00 C ATOM 191 SD MET A 13 -17.583 7.191 -6.445 1.00 0.00 S ATOM 192 CE MET A 13 -18.981 7.406 -7.572 1.00 0.00 C ATOM 0 H MET A 13 -14.666 6.046 -5.243 1.00 0.00 H new ATOM 0 HA MET A 13 -17.053 5.913 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 13 -16.161 4.808 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 13 -17.187 3.782 -5.095 1.00 0.00 H new ATOM 0 HG2 MET A 13 -18.719 5.063 -6.422 1.00 0.00 H new ATOM 0 HG3 MET A 13 -18.763 5.825 -4.845 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.852 8.327 -8.140 1.00 0.00 H new ATOM 0 HE2 MET A 13 -19.029 6.560 -8.258 1.00 0.00 H new ATOM 0 HE3 MET A 13 -19.906 7.461 -6.998 1.00 0.00 H new ATOM 202 N SER A 14 -14.477 4.606 -2.612 1.00 0.00 N ATOM 203 CA SER A 14 -13.773 3.602 -1.741 1.00 0.00 C ATOM 204 C SER A 14 -13.823 2.189 -2.346 1.00 0.00 C ATOM 205 O SER A 14 -13.994 2.022 -3.539 1.00 0.00 O ATOM 206 CB SER A 14 -14.531 3.645 -0.413 1.00 0.00 C ATOM 207 OG SER A 14 -13.761 2.993 0.588 1.00 0.00 O ATOM 0 H SER A 14 -13.972 5.482 -2.743 1.00 0.00 H new ATOM 0 HA SER A 14 -12.715 3.839 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.724 4.678 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.500 3.157 -0.518 1.00 0.00 H new ATOM 0 HG SER A 14 -14.243 3.020 1.441 1.00 0.00 H new ATOM 213 N SER A 15 -13.695 1.179 -1.523 1.00 0.00 N ATOM 214 CA SER A 15 -13.751 -0.223 -2.031 1.00 0.00 C ATOM 215 C SER A 15 -15.139 -0.823 -1.765 1.00 0.00 C ATOM 216 O SER A 15 -15.545 -1.772 -2.410 1.00 0.00 O ATOM 217 CB SER A 15 -12.681 -0.974 -1.241 1.00 0.00 C ATOM 218 OG SER A 15 -12.875 -0.744 0.148 1.00 0.00 O ATOM 0 H SER A 15 -13.554 1.267 -0.517 1.00 0.00 H new ATOM 0 HA SER A 15 -13.578 -0.282 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.736 -2.041 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.688 -0.639 -1.542 1.00 0.00 H new ATOM 0 HG SER A 15 -12.191 -1.226 0.658 1.00 0.00 H new ATOM 224 N TYR A 16 -15.868 -0.275 -0.819 1.00 0.00 N ATOM 225 CA TYR A 16 -17.226 -0.810 -0.506 1.00 0.00 C ATOM 226 C TYR A 16 -18.297 -0.036 -1.282 1.00 0.00 C ATOM 227 O TYR A 16 -19.301 -0.593 -1.687 1.00 0.00 O ATOM 228 CB TYR A 16 -17.394 -0.594 0.998 1.00 0.00 C ATOM 229 CG TYR A 16 -18.648 -1.288 1.470 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.890 -0.655 1.337 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.570 -2.563 2.043 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.054 -1.298 1.777 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.733 -3.206 2.482 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.975 -2.573 2.349 1.00 0.00 C ATOM 235 OH TYR A 16 -22.123 -3.207 2.782 1.00 0.00 O ATOM 0 H TYR A 16 -15.577 0.521 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.331 -1.858 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.527 -0.984 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.451 0.472 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -19.950 0.329 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.612 -3.051 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.012 -0.810 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.673 -4.190 2.923 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.892 -4.085 3.152 1.00 0.00 H new ATOM 245 N ALA A 17 -18.092 1.243 -1.493 1.00 0.00 N ATOM 246 CA ALA A 17 -19.100 2.050 -2.247 1.00 0.00 C ATOM 247 C ALA A 17 -19.015 1.722 -3.741 1.00 0.00 C ATOM 248 O ALA A 17 -19.995 1.791 -4.457 1.00 0.00 O ATOM 249 CB ALA A 17 -18.730 3.514 -1.985 1.00 0.00 C ATOM 0 H ALA A 17 -17.272 1.760 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.122 1.838 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.429 4.165 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.778 3.716 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.719 3.704 -2.345 1.00 0.00 H new ATOM 255 N PHE A 18 -17.848 1.356 -4.209 1.00 0.00 N ATOM 256 CA PHE A 18 -17.688 1.009 -5.654 1.00 0.00 C ATOM 257 C PHE A 18 -18.375 -0.331 -5.942 1.00 0.00 C ATOM 258 O PHE A 18 -18.834 -0.580 -7.041 1.00 0.00 O ATOM 259 CB PHE A 18 -16.171 0.899 -5.883 1.00 0.00 C ATOM 260 CG PHE A 18 -15.729 1.912 -6.913 1.00 0.00 C ATOM 261 CD1 PHE A 18 -16.306 1.913 -8.188 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.739 2.849 -6.592 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.894 2.852 -9.142 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.328 3.788 -7.545 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.904 3.789 -8.820 1.00 0.00 C ATOM 0 H PHE A 18 -16.997 1.282 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.138 1.753 -6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.640 1.066 -4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.917 -0.107 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.069 1.190 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.292 2.847 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.340 2.854 -10.126 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.566 4.512 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.585 4.512 -9.556 1.00 0.00 H new ATOM 275 N PHE A 19 -18.445 -1.192 -4.958 1.00 0.00 N ATOM 276 CA PHE A 19 -19.099 -2.523 -5.161 1.00 0.00 C ATOM 277 C PHE A 19 -20.571 -2.338 -5.542 1.00 0.00 C ATOM 278 O PHE A 19 -21.050 -2.918 -6.499 1.00 0.00 O ATOM 279 CB PHE A 19 -18.977 -3.239 -3.814 1.00 0.00 C ATOM 280 CG PHE A 19 -19.260 -4.711 -3.995 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.272 -5.554 -4.517 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.510 -5.233 -3.641 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.533 -6.919 -4.683 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.771 -6.598 -3.809 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.783 -7.441 -4.331 1.00 0.00 C ATOM 0 H PHE A 19 -18.077 -1.031 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.633 -3.092 -5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.976 -3.098 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.677 -2.809 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.308 -5.151 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.273 -4.583 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.769 -7.570 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.735 -7.001 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.985 -8.494 -4.462 1.00 0.00 H new ATOM 295 N VAL A 20 -21.289 -1.534 -4.799 1.00 0.00 N ATOM 296 CA VAL A 20 -22.736 -1.306 -5.113 1.00 0.00 C ATOM 297 C VAL A 20 -22.877 -0.671 -6.501 1.00 0.00 C ATOM 298 O VAL A 20 -23.873 -0.852 -7.175 1.00 0.00 O ATOM 299 CB VAL A 20 -23.239 -0.353 -4.021 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.713 -0.009 -4.263 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.097 -1.028 -2.655 1.00 0.00 C ATOM 0 H VAL A 20 -20.937 -1.025 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.309 -2.233 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.648 0.562 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.061 0.668 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.819 0.472 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.308 -0.922 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.454 -0.353 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.687 -1.944 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.049 -1.268 -2.475 1.00 0.00 H new ATOM 311 N GLN A 21 -21.887 0.072 -6.929 1.00 0.00 N ATOM 312 CA GLN A 21 -21.957 0.722 -8.273 1.00 0.00 C ATOM 313 C GLN A 21 -21.647 -0.299 -9.371 1.00 0.00 C ATOM 314 O GLN A 21 -22.130 -0.191 -10.482 1.00 0.00 O ATOM 315 CB GLN A 21 -20.892 1.818 -8.243 1.00 0.00 C ATOM 316 CG GLN A 21 -21.147 2.810 -9.381 1.00 0.00 C ATOM 317 CD GLN A 21 -22.372 3.663 -9.050 1.00 0.00 C ATOM 318 OE1 GLN A 21 -22.335 4.476 -8.148 1.00 0.00 O ATOM 319 NE2 GLN A 21 -23.464 3.513 -9.748 1.00 0.00 N ATOM 0 H GLN A 21 -21.032 0.257 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.948 1.125 -8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.914 2.335 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.900 1.378 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -20.275 3.448 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -21.306 2.273 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.495 2.831 -10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -24.286 4.078 -9.536 1.00 0.00 H new ATOM 328 N THR A 22 -20.845 -1.286 -9.065 1.00 0.00 N ATOM 329 CA THR A 22 -20.497 -2.321 -10.085 1.00 0.00 C ATOM 330 C THR A 22 -21.525 -3.455 -10.062 1.00 0.00 C ATOM 331 O THR A 22 -21.769 -4.103 -11.062 1.00 0.00 O ATOM 332 CB THR A 22 -19.119 -2.838 -9.670 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.249 -1.737 -9.447 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.550 -3.725 -10.778 1.00 0.00 C ATOM 0 H THR A 22 -20.415 -1.420 -8.150 1.00 0.00 H new ATOM 0 HA THR A 22 -20.494 -1.917 -11.098 1.00 0.00 H new ATOM 0 HB THR A 22 -19.210 -3.420 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.407 -1.372 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.568 -4.093 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.218 -4.570 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.458 -3.146 -11.697 1.00 0.00 H new ATOM 342 N SER A 23 -22.129 -3.696 -8.925 1.00 0.00 N ATOM 343 CA SER A 23 -23.144 -4.787 -8.826 1.00 0.00 C ATOM 344 C SER A 23 -24.511 -4.286 -9.303 1.00 0.00 C ATOM 345 O SER A 23 -25.327 -5.051 -9.781 1.00 0.00 O ATOM 346 CB SER A 23 -23.192 -5.149 -7.343 1.00 0.00 C ATOM 347 OG SER A 23 -21.870 -5.368 -6.870 1.00 0.00 O ATOM 0 H SER A 23 -21.962 -3.182 -8.060 1.00 0.00 H new ATOM 0 HA SER A 23 -22.889 -5.646 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.665 -4.347 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.797 -6.044 -7.195 1.00 0.00 H new ATOM 0 HG SER A 23 -21.555 -4.569 -6.397 1.00 0.00 H new ATOM 353 N ARG A 24 -24.764 -3.007 -9.174 1.00 0.00 N ATOM 354 CA ARG A 24 -26.079 -2.449 -9.619 1.00 0.00 C ATOM 355 C ARG A 24 -26.155 -2.431 -11.147 1.00 0.00 C ATOM 356 O ARG A 24 -27.182 -2.725 -11.729 1.00 0.00 O ATOM 357 CB ARG A 24 -26.121 -1.025 -9.064 1.00 0.00 C ATOM 358 CG ARG A 24 -27.485 -0.401 -9.361 1.00 0.00 C ATOM 359 CD ARG A 24 -27.755 0.734 -8.370 1.00 0.00 C ATOM 360 NE ARG A 24 -28.426 1.794 -9.174 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.550 2.312 -8.760 1.00 0.00 C ATOM 362 NH1 ARG A 24 -30.680 1.708 -9.015 1.00 0.00 N ATOM 363 NH2 ARG A 24 -29.547 3.432 -8.092 1.00 0.00 N ATOM 0 H ARG A 24 -24.116 -2.325 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.919 -3.046 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.941 -1.037 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.329 -0.425 -9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.508 -0.020 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.267 -1.157 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -28.390 0.399 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.829 1.101 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 24 -28.007 2.114 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -30.683 0.832 -9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -31.559 2.112 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -28.665 3.904 -7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -30.426 3.836 -7.769 1.00 0.00 H new ATOM 377 N GLU A 25 -25.072 -2.087 -11.798 1.00 0.00 N ATOM 378 CA GLU A 25 -25.072 -2.046 -13.294 1.00 0.00 C ATOM 379 C GLU A 25 -25.374 -3.436 -13.860 1.00 0.00 C ATOM 380 O GLU A 25 -26.297 -3.615 -14.632 1.00 0.00 O ATOM 381 CB GLU A 25 -23.660 -1.604 -13.686 1.00 0.00 C ATOM 382 CG GLU A 25 -23.513 -0.101 -13.447 1.00 0.00 C ATOM 383 CD GLU A 25 -22.433 0.460 -14.373 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.276 0.128 -14.170 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.779 1.212 -15.269 1.00 0.00 O ATOM 0 H GLU A 25 -24.187 -1.833 -11.359 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.831 -1.369 -13.685 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.920 -2.150 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.472 -1.837 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.462 0.402 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.249 0.088 -12.407 1.00 0.00 H new ATOM 392 N GLU A 26 -24.600 -4.420 -13.477 1.00 0.00 N ATOM 393 CA GLU A 26 -24.834 -5.806 -13.987 1.00 0.00 C ATOM 394 C GLU A 26 -26.216 -6.307 -13.549 1.00 0.00 C ATOM 395 O GLU A 26 -26.804 -7.159 -14.189 1.00 0.00 O ATOM 396 CB GLU A 26 -23.732 -6.659 -13.356 1.00 0.00 C ATOM 397 CG GLU A 26 -23.825 -8.091 -13.887 1.00 0.00 C ATOM 398 CD GLU A 26 -22.636 -8.905 -13.375 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.572 -9.135 -12.179 1.00 0.00 O ATOM 400 OE2 GLU A 26 -21.808 -9.283 -14.188 1.00 0.00 O ATOM 0 H GLU A 26 -23.815 -4.324 -12.833 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.809 -5.851 -15.076 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.754 -6.237 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.832 -6.656 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.759 -8.550 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.833 -8.086 -14.977 1.00 0.00 H new ATOM 407 N HIS A 27 -26.734 -5.785 -12.466 1.00 0.00 N ATOM 408 CA HIS A 27 -28.079 -6.230 -11.981 1.00 0.00 C ATOM 409 C HIS A 27 -29.179 -5.720 -12.918 1.00 0.00 C ATOM 410 O HIS A 27 -30.139 -6.414 -13.193 1.00 0.00 O ATOM 411 CB HIS A 27 -28.229 -5.607 -10.591 1.00 0.00 C ATOM 412 CG HIS A 27 -29.511 -6.076 -9.963 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.577 -7.216 -9.179 1.00 0.00 N ATOM 414 CD2 HIS A 27 -30.787 -5.567 -9.992 1.00 0.00 C ATOM 415 CE1 HIS A 27 -30.852 -7.357 -8.772 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.632 -6.378 -9.240 1.00 0.00 N ATOM 0 H HIS A 27 -26.284 -5.069 -11.895 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.165 -7.316 -11.952 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.382 -5.885 -9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.226 -4.520 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.088 -4.673 -10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.202 -8.163 -8.144 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.632 -6.252 -9.080 1.00 0.00 H new ATOM 424 N LYS A 28 -29.043 -4.513 -13.403 1.00 0.00 N ATOM 425 CA LYS A 28 -30.080 -3.946 -14.321 1.00 0.00 C ATOM 426 C LYS A 28 -30.055 -4.649 -15.688 1.00 0.00 C ATOM 427 O LYS A 28 -30.968 -4.502 -16.478 1.00 0.00 O ATOM 428 CB LYS A 28 -29.712 -2.470 -14.476 1.00 0.00 C ATOM 429 CG LYS A 28 -30.298 -1.672 -13.310 1.00 0.00 C ATOM 430 CD LYS A 28 -31.723 -1.235 -13.654 1.00 0.00 C ATOM 431 CE LYS A 28 -32.325 -0.473 -12.472 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.821 -1.529 -11.547 1.00 0.00 N ATOM 0 H LYS A 28 -28.258 -3.893 -13.204 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.085 -4.083 -13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.628 -2.355 -14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.095 -2.086 -15.422 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.301 -2.280 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.678 -0.799 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.716 -0.603 -14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -32.335 -2.106 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.579 0.158 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -33.135 0.181 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -33.381 -1.091 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -33.416 -2.200 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.013 -2.035 -11.132 1.00 0.00 H new ATOM 446 N LYS A 29 -29.019 -5.401 -15.977 1.00 0.00 N ATOM 447 CA LYS A 29 -28.942 -6.099 -17.297 1.00 0.00 C ATOM 448 C LYS A 29 -29.626 -7.471 -17.233 1.00 0.00 C ATOM 449 O LYS A 29 -30.039 -8.010 -18.243 1.00 0.00 O ATOM 450 CB LYS A 29 -27.447 -6.263 -17.569 1.00 0.00 C ATOM 451 CG LYS A 29 -26.875 -4.947 -18.100 1.00 0.00 C ATOM 452 CD LYS A 29 -25.494 -5.199 -18.708 1.00 0.00 C ATOM 453 CE LYS A 29 -24.468 -5.380 -17.588 1.00 0.00 C ATOM 454 NZ LYS A 29 -23.163 -5.544 -18.286 1.00 0.00 N ATOM 0 H LYS A 29 -28.226 -5.560 -15.356 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.448 -5.537 -18.082 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -26.930 -6.553 -16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.284 -7.061 -18.294 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.543 -4.525 -18.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -26.801 -4.218 -17.293 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.520 -6.087 -19.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -25.208 -4.363 -19.346 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.454 -4.517 -16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -24.701 -6.251 -16.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.407 -5.673 -17.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.204 -6.377 -18.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.965 -4.696 -18.855 1.00 0.00 H new ATOM 468 N LYS A 30 -29.739 -8.042 -16.059 1.00 0.00 N ATOM 469 CA LYS A 30 -30.389 -9.387 -15.934 1.00 0.00 C ATOM 470 C LYS A 30 -31.648 -9.318 -15.062 1.00 0.00 C ATOM 471 O LYS A 30 -32.129 -10.330 -14.590 1.00 0.00 O ATOM 472 CB LYS A 30 -29.333 -10.292 -15.286 1.00 0.00 C ATOM 473 CG LYS A 30 -28.851 -9.683 -13.966 1.00 0.00 C ATOM 474 CD LYS A 30 -28.478 -10.804 -12.994 1.00 0.00 C ATOM 475 CE LYS A 30 -27.798 -10.207 -11.760 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.541 -11.370 -10.865 1.00 0.00 N ATOM 0 H LYS A 30 -29.410 -7.637 -15.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -30.711 -9.764 -16.905 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -29.753 -11.282 -15.106 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.490 -10.422 -15.964 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -27.990 -9.039 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.633 -9.058 -13.534 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.371 -11.355 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.811 -11.515 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.870 -9.700 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.437 -9.469 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.075 -11.042 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.443 -11.828 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.925 -12.053 -11.351 1.00 0.00 H new ATOM 490 N HIS A 31 -32.193 -8.143 -14.856 1.00 0.00 N ATOM 491 CA HIS A 31 -33.429 -8.023 -14.022 1.00 0.00 C ATOM 492 C HIS A 31 -34.341 -6.916 -14.577 1.00 0.00 C ATOM 493 O HIS A 31 -34.351 -5.814 -14.061 1.00 0.00 O ATOM 494 CB HIS A 31 -32.933 -7.662 -12.620 1.00 0.00 C ATOM 495 CG HIS A 31 -32.171 -8.824 -12.046 1.00 0.00 C ATOM 496 ND1 HIS A 31 -32.662 -10.118 -12.084 1.00 0.00 N ATOM 497 CD2 HIS A 31 -30.946 -8.906 -11.432 1.00 0.00 C ATOM 498 CE1 HIS A 31 -31.743 -10.917 -11.511 1.00 0.00 C ATOM 499 NE2 HIS A 31 -30.678 -10.228 -11.095 1.00 0.00 N ATOM 0 H HIS A 31 -31.835 -7.264 -15.229 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.014 -8.942 -14.020 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.294 -6.780 -12.664 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.777 -7.413 -11.977 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -33.557 -10.412 -12.475 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.290 -8.070 -11.240 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.854 -11.986 -11.401 1.00 0.00 H new ATOM 507 N PRO A 32 -35.085 -7.237 -15.615 1.00 0.00 N ATOM 508 CA PRO A 32 -35.997 -6.235 -16.222 1.00 0.00 C ATOM 509 C PRO A 32 -37.221 -6.017 -15.327 1.00 0.00 C ATOM 510 O PRO A 32 -37.601 -4.897 -15.044 1.00 0.00 O ATOM 511 CB PRO A 32 -36.405 -6.873 -17.547 1.00 0.00 C ATOM 512 CG PRO A 32 -36.240 -8.345 -17.339 1.00 0.00 C ATOM 513 CD PRO A 32 -35.150 -8.531 -16.316 1.00 0.00 C ATOM 0 HA PRO A 32 -35.532 -5.257 -16.350 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.435 -6.624 -17.804 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.778 -6.518 -18.365 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.172 -8.792 -16.993 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -35.978 -8.839 -18.275 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.384 -9.344 -15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.199 -8.776 -16.788 1.00 0.00 H new ATOM 521 N ASP A 33 -37.837 -7.083 -14.884 1.00 0.00 N ATOM 522 CA ASP A 33 -39.041 -6.952 -14.009 1.00 0.00 C ATOM 523 C ASP A 33 -38.658 -7.181 -12.542 1.00 0.00 C ATOM 524 O ASP A 33 -39.132 -8.102 -11.903 1.00 0.00 O ATOM 525 CB ASP A 33 -40.001 -8.040 -14.494 1.00 0.00 C ATOM 526 CG ASP A 33 -40.577 -7.643 -15.855 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.811 -7.564 -16.801 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.776 -7.426 -15.927 1.00 0.00 O ATOM 0 H ASP A 33 -37.557 -8.042 -15.091 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.489 -5.960 -14.066 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -39.478 -8.993 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.806 -8.177 -13.772 1.00 0.00 H new ATOM 533 N SER A 34 -37.803 -6.346 -12.009 1.00 0.00 N ATOM 534 CA SER A 34 -37.384 -6.503 -10.584 1.00 0.00 C ATOM 535 C SER A 34 -36.842 -5.178 -10.041 1.00 0.00 C ATOM 536 O SER A 34 -35.949 -4.583 -10.614 1.00 0.00 O ATOM 537 CB SER A 34 -36.281 -7.561 -10.611 1.00 0.00 C ATOM 538 OG SER A 34 -36.266 -8.255 -9.371 1.00 0.00 O ATOM 0 H SER A 34 -37.376 -5.561 -12.501 1.00 0.00 H new ATOM 0 HA SER A 34 -38.214 -6.794 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.451 -8.260 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.314 -7.091 -10.789 1.00 0.00 H new ATOM 0 HG SER A 34 -35.561 -8.935 -9.385 1.00 0.00 H new ATOM 544 N SER A 35 -37.381 -4.715 -8.942 1.00 0.00 N ATOM 545 CA SER A 35 -36.906 -3.428 -8.353 1.00 0.00 C ATOM 546 C SER A 35 -35.640 -3.662 -7.524 1.00 0.00 C ATOM 547 O SER A 35 -35.335 -4.777 -7.146 1.00 0.00 O ATOM 548 CB SER A 35 -38.051 -2.953 -7.460 1.00 0.00 C ATOM 549 OG SER A 35 -37.824 -1.600 -7.085 1.00 0.00 O ATOM 0 H SER A 35 -38.132 -5.175 -8.426 1.00 0.00 H new ATOM 0 HA SER A 35 -36.654 -2.693 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 35 -39.000 -3.042 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.120 -3.582 -6.572 1.00 0.00 H new ATOM 0 HG SER A 35 -38.558 -1.291 -6.513 1.00 0.00 H new ATOM 555 N VAL A 36 -34.905 -2.617 -7.241 1.00 0.00 N ATOM 556 CA VAL A 36 -33.656 -2.769 -6.436 1.00 0.00 C ATOM 557 C VAL A 36 -33.159 -1.401 -5.960 1.00 0.00 C ATOM 558 O VAL A 36 -32.096 -0.951 -6.348 1.00 0.00 O ATOM 559 CB VAL A 36 -32.647 -3.424 -7.389 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.381 -2.509 -8.589 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.334 -3.676 -6.643 1.00 0.00 C ATOM 0 H VAL A 36 -35.117 -1.663 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.810 -3.369 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.058 -4.368 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.664 -2.985 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.313 -2.331 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.976 -1.559 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.616 -4.141 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.933 -2.729 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.518 -4.338 -5.796 1.00 0.00 H new ATOM 571 N ASN A 37 -33.913 -0.738 -5.114 1.00 0.00 N ATOM 572 CA ASN A 37 -33.471 0.600 -4.606 1.00 0.00 C ATOM 573 C ASN A 37 -32.129 0.454 -3.881 1.00 0.00 C ATOM 574 O ASN A 37 -31.493 -0.582 -3.958 1.00 0.00 O ATOM 575 CB ASN A 37 -34.571 1.065 -3.643 1.00 0.00 C ATOM 576 CG ASN A 37 -34.755 0.044 -2.518 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.917 -0.074 -1.646 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.825 -0.702 -2.498 1.00 0.00 N ATOM 0 H ASN A 37 -34.811 -1.064 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.327 1.323 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.310 2.036 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.508 1.193 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.958 -1.384 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.529 -0.604 -3.230 1.00 0.00 H new ATOM 585 N PHE A 38 -31.684 1.474 -3.194 1.00 0.00 N ATOM 586 CA PHE A 38 -30.373 1.369 -2.489 1.00 0.00 C ATOM 587 C PHE A 38 -30.463 0.393 -1.319 1.00 0.00 C ATOM 588 O PHE A 38 -29.564 -0.377 -1.101 1.00 0.00 O ATOM 589 CB PHE A 38 -30.047 2.771 -1.982 1.00 0.00 C ATOM 590 CG PHE A 38 -29.831 3.689 -3.159 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.613 3.658 -3.849 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.842 4.568 -3.564 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.405 4.503 -4.943 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.634 5.415 -4.659 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.415 5.382 -5.349 1.00 0.00 C ATOM 0 H PHE A 38 -32.167 2.367 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.599 0.995 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.861 3.144 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.154 2.746 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.833 2.980 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.782 4.593 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.465 4.477 -5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.413 6.094 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.255 6.035 -6.194 1.00 0.00 H new ATOM 605 N ALA A 39 -31.526 0.424 -0.557 1.00 0.00 N ATOM 606 CA ALA A 39 -31.632 -0.509 0.611 1.00 0.00 C ATOM 607 C ALA A 39 -31.824 -1.951 0.156 1.00 0.00 C ATOM 608 O ALA A 39 -31.166 -2.849 0.649 1.00 0.00 O ATOM 609 CB ALA A 39 -32.841 -0.026 1.413 1.00 0.00 C ATOM 0 H ALA A 39 -32.321 1.049 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.720 -0.501 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.978 -0.665 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.675 1.001 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.733 -0.069 0.788 1.00 0.00 H new ATOM 615 N GLU A 40 -32.704 -2.189 -0.779 1.00 0.00 N ATOM 616 CA GLU A 40 -32.914 -3.588 -1.259 1.00 0.00 C ATOM 617 C GLU A 40 -31.616 -4.148 -1.854 1.00 0.00 C ATOM 618 O GLU A 40 -31.475 -5.346 -2.020 1.00 0.00 O ATOM 619 CB GLU A 40 -34.002 -3.492 -2.331 1.00 0.00 C ATOM 620 CG GLU A 40 -34.351 -4.894 -2.833 1.00 0.00 C ATOM 621 CD GLU A 40 -35.778 -4.899 -3.382 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.698 -4.779 -2.589 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.929 -5.023 -4.586 1.00 0.00 O ATOM 0 H GLU A 40 -33.284 -1.481 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.205 -4.257 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.889 -3.010 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.657 -2.873 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -33.650 -5.198 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.260 -5.616 -2.021 1.00 0.00 H new ATOM 630 N PHE A 41 -30.669 -3.296 -2.181 1.00 0.00 N ATOM 631 CA PHE A 41 -29.393 -3.792 -2.766 1.00 0.00 C ATOM 632 C PHE A 41 -28.224 -3.588 -1.794 1.00 0.00 C ATOM 633 O PHE A 41 -27.388 -4.457 -1.628 1.00 0.00 O ATOM 634 CB PHE A 41 -29.204 -2.969 -4.041 1.00 0.00 C ATOM 635 CG PHE A 41 -28.220 -3.661 -4.952 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.492 -4.951 -5.424 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.036 -3.014 -5.325 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.579 -5.594 -6.270 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.124 -3.656 -6.170 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.395 -4.946 -6.643 1.00 0.00 C ATOM 0 H PHE A 41 -30.730 -2.284 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.423 -4.862 -2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.160 -2.844 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.843 -1.971 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.405 -5.450 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.826 -2.019 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -27.788 -6.589 -6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.211 -3.156 -6.458 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.691 -5.441 -7.295 1.00 0.00 H new ATOM 650 N SER A 42 -28.168 -2.456 -1.147 1.00 0.00 N ATOM 651 CA SER A 42 -27.063 -2.188 -0.172 1.00 0.00 C ATOM 652 C SER A 42 -27.087 -3.227 0.959 1.00 0.00 C ATOM 653 O SER A 42 -26.111 -3.408 1.662 1.00 0.00 O ATOM 654 CB SER A 42 -27.343 -0.784 0.376 1.00 0.00 C ATOM 655 OG SER A 42 -28.536 -0.812 1.149 1.00 0.00 O ATOM 0 H SER A 42 -28.843 -1.698 -1.250 1.00 0.00 H new ATOM 0 HA SER A 42 -26.079 -2.252 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.507 -0.446 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.444 -0.074 -0.445 1.00 0.00 H new ATOM 0 HG SER A 42 -29.301 -0.995 0.564 1.00 0.00 H new ATOM 661 N LYS A 43 -28.195 -3.908 1.139 1.00 0.00 N ATOM 662 CA LYS A 43 -28.285 -4.933 2.217 1.00 0.00 C ATOM 663 C LYS A 43 -27.830 -6.300 1.692 1.00 0.00 C ATOM 664 O LYS A 43 -27.374 -7.140 2.445 1.00 0.00 O ATOM 665 CB LYS A 43 -29.768 -4.974 2.582 1.00 0.00 C ATOM 666 CG LYS A 43 -30.023 -4.082 3.798 1.00 0.00 C ATOM 667 CD LYS A 43 -31.505 -3.703 3.853 1.00 0.00 C ATOM 668 CE LYS A 43 -32.329 -4.924 4.267 1.00 0.00 C ATOM 669 NZ LYS A 43 -33.646 -4.372 4.690 1.00 0.00 N ATOM 0 H LYS A 43 -29.041 -3.794 0.581 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.651 -4.695 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.370 -4.636 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.071 -5.998 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.736 -4.604 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.409 -3.183 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.657 -2.890 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.835 -3.341 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.442 -5.624 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.849 -5.467 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -34.268 -5.150 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.508 -3.714 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -34.082 -3.866 3.893 1.00 0.00 H new ATOM 683 N LYS A 44 -27.962 -6.529 0.409 1.00 0.00 N ATOM 684 CA LYS A 44 -27.551 -7.842 -0.171 1.00 0.00 C ATOM 685 C LYS A 44 -26.056 -7.843 -0.508 1.00 0.00 C ATOM 686 O LYS A 44 -25.382 -8.846 -0.358 1.00 0.00 O ATOM 687 CB LYS A 44 -28.386 -7.990 -1.443 1.00 0.00 C ATOM 688 CG LYS A 44 -28.713 -9.467 -1.669 1.00 0.00 C ATOM 689 CD LYS A 44 -27.611 -10.111 -2.513 1.00 0.00 C ATOM 690 CE LYS A 44 -27.816 -11.628 -2.549 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.849 -11.851 -3.599 1.00 0.00 N ATOM 0 H LYS A 44 -28.338 -5.860 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.713 -8.664 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.306 -7.412 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.839 -7.593 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.800 -9.982 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.675 -9.564 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.630 -9.707 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.633 -9.875 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.888 -12.146 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.148 -12.005 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -29.547 -12.543 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.328 -10.952 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.395 -12.214 -4.461 1.00 0.00 H new ATOM 705 N CYS A 45 -25.533 -6.732 -0.966 1.00 0.00 N ATOM 706 CA CYS A 45 -24.078 -6.674 -1.318 1.00 0.00 C ATOM 707 C CYS A 45 -23.217 -7.020 -0.095 1.00 0.00 C ATOM 708 O CYS A 45 -22.112 -7.514 -0.224 1.00 0.00 O ATOM 709 CB CYS A 45 -23.820 -5.230 -1.782 1.00 0.00 C ATOM 710 SG CYS A 45 -24.215 -4.062 -0.453 1.00 0.00 S ATOM 0 H CYS A 45 -26.049 -5.864 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.819 -7.393 -2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.777 -5.117 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.426 -5.010 -2.661 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.019 -4.628 0.398 1.00 0.00 H new ATOM 716 N SER A 46 -23.722 -6.765 1.087 1.00 0.00 N ATOM 717 CA SER A 46 -22.940 -7.078 2.323 1.00 0.00 C ATOM 718 C SER A 46 -22.789 -8.595 2.481 1.00 0.00 C ATOM 719 O SER A 46 -21.830 -9.073 3.055 1.00 0.00 O ATOM 720 CB SER A 46 -23.759 -6.499 3.477 1.00 0.00 C ATOM 721 OG SER A 46 -25.043 -7.108 3.493 1.00 0.00 O ATOM 0 H SER A 46 -24.641 -6.354 1.249 1.00 0.00 H new ATOM 0 HA SER A 46 -21.935 -6.657 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.249 -6.674 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.857 -5.419 3.363 1.00 0.00 H new ATOM 0 HG SER A 46 -25.621 -6.669 2.835 1.00 0.00 H new ATOM 727 N GLU A 47 -23.731 -9.350 1.975 1.00 0.00 N ATOM 728 CA GLU A 47 -23.649 -10.839 2.091 1.00 0.00 C ATOM 729 C GLU A 47 -22.579 -11.385 1.141 1.00 0.00 C ATOM 730 O GLU A 47 -21.986 -12.418 1.391 1.00 0.00 O ATOM 731 CB GLU A 47 -25.033 -11.351 1.689 1.00 0.00 C ATOM 732 CG GLU A 47 -25.968 -11.299 2.900 1.00 0.00 C ATOM 733 CD GLU A 47 -25.530 -12.344 3.928 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.689 -12.020 4.751 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.041 -13.450 3.873 1.00 0.00 O ATOM 0 H GLU A 47 -24.555 -9.000 1.486 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.376 -11.158 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.436 -10.744 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.960 -12.373 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.948 -10.304 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.995 -11.488 2.588 1.00 0.00 H new ATOM 742 N ARG A 48 -22.331 -10.698 0.054 1.00 0.00 N ATOM 743 CA ARG A 48 -21.301 -11.172 -0.919 1.00 0.00 C ATOM 744 C ARG A 48 -19.952 -10.506 -0.631 1.00 0.00 C ATOM 745 O ARG A 48 -18.910 -11.121 -0.758 1.00 0.00 O ATOM 746 CB ARG A 48 -21.827 -10.744 -2.290 1.00 0.00 C ATOM 747 CG ARG A 48 -20.967 -11.374 -3.387 1.00 0.00 C ATOM 748 CD ARG A 48 -21.508 -10.963 -4.759 1.00 0.00 C ATOM 749 NE ARG A 48 -22.706 -11.822 -4.973 1.00 0.00 N ATOM 750 CZ ARG A 48 -22.585 -12.971 -5.579 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.312 -14.046 -4.892 1.00 0.00 N ATOM 752 NH2 ARG A 48 -22.738 -13.044 -6.874 1.00 0.00 N ATOM 0 H ARG A 48 -22.798 -9.828 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.142 -12.249 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.866 -11.053 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.806 -9.658 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.931 -11.052 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.975 -12.460 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.772 -9.906 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.764 -11.121 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 48 -23.621 -11.512 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.193 -13.988 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.218 -14.944 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.952 -12.203 -7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.644 -13.942 -7.349 1.00 0.00 H new ATOM 766 N TRP A 49 -19.968 -9.257 -0.244 1.00 0.00 N ATOM 767 CA TRP A 49 -18.686 -8.544 0.053 1.00 0.00 C ATOM 768 C TRP A 49 -17.984 -9.192 1.250 1.00 0.00 C ATOM 769 O TRP A 49 -16.798 -9.463 1.211 1.00 0.00 O ATOM 770 CB TRP A 49 -19.091 -7.106 0.387 1.00 0.00 C ATOM 771 CG TRP A 49 -17.864 -6.269 0.555 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.503 -5.638 1.695 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.832 -5.962 -0.427 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.316 -4.963 1.477 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.862 -5.133 0.184 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.645 -6.319 -1.775 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.747 -4.673 -0.518 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.523 -5.859 -2.483 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.576 -5.038 -1.856 1.00 0.00 C ATOM 0 H TRP A 49 -20.812 -8.698 -0.120 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.992 -8.586 -0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.716 -6.699 -0.408 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.685 -7.087 1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.052 -5.658 2.625 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.835 -4.408 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.369 -6.951 -2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.021 -4.039 -0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.389 -6.140 -3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.715 -4.688 -2.406 1.00 0.00 H new ATOM 790 N LYS A 50 -18.709 -9.442 2.310 1.00 0.00 N ATOM 791 CA LYS A 50 -18.091 -10.073 3.517 1.00 0.00 C ATOM 792 C LYS A 50 -17.607 -11.489 3.189 1.00 0.00 C ATOM 793 O LYS A 50 -16.679 -11.991 3.795 1.00 0.00 O ATOM 794 CB LYS A 50 -19.204 -10.118 4.566 1.00 0.00 C ATOM 795 CG LYS A 50 -19.150 -8.851 5.427 1.00 0.00 C ATOM 796 CD LYS A 50 -20.211 -7.856 4.948 1.00 0.00 C ATOM 797 CE LYS A 50 -19.972 -6.497 5.611 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.282 -5.794 5.529 1.00 0.00 N ATOM 0 H LYS A 50 -19.705 -9.236 2.393 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.224 -9.514 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.175 -10.197 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.090 -11.002 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.320 -9.103 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.160 -8.400 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.168 -7.756 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.207 -8.223 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.651 -6.614 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.191 -5.938 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.233 -4.905 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.503 -5.586 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.027 -6.400 5.929 1.00 0.00 H new ATOM 812 N THR A 51 -18.230 -12.134 2.235 1.00 0.00 N ATOM 813 CA THR A 51 -17.813 -13.520 1.863 1.00 0.00 C ATOM 814 C THR A 51 -16.674 -13.476 0.840 1.00 0.00 C ATOM 815 O THR A 51 -15.863 -14.380 0.766 1.00 0.00 O ATOM 816 CB THR A 51 -19.061 -14.158 1.250 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.575 -13.306 0.236 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.119 -14.359 2.336 1.00 0.00 C ATOM 0 H THR A 51 -19.011 -11.759 1.697 1.00 0.00 H new ATOM 0 HA THR A 51 -17.446 -14.084 2.720 1.00 0.00 H new ATOM 0 HB THR A 51 -18.802 -15.124 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.903 -12.631 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.008 -14.814 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.723 -15.012 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.381 -13.395 2.771 1.00 0.00 H new ATOM 826 N MET A 52 -16.610 -12.433 0.051 1.00 0.00 N ATOM 827 CA MET A 52 -15.524 -12.326 -0.973 1.00 0.00 C ATOM 828 C MET A 52 -14.152 -12.319 -0.293 1.00 0.00 C ATOM 829 O MET A 52 -13.956 -11.675 0.720 1.00 0.00 O ATOM 830 CB MET A 52 -15.771 -10.996 -1.688 1.00 0.00 C ATOM 831 CG MET A 52 -16.907 -11.162 -2.701 1.00 0.00 C ATOM 832 SD MET A 52 -16.219 -11.612 -4.316 1.00 0.00 S ATOM 833 CE MET A 52 -15.502 -10.000 -4.715 1.00 0.00 C ATOM 0 H MET A 52 -17.263 -11.650 0.071 1.00 0.00 H new ATOM 0 HA MET A 52 -15.533 -13.167 -1.666 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.027 -10.223 -0.963 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.863 -10.670 -2.195 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.600 -11.932 -2.362 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.475 -10.235 -2.782 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.174 -9.995 -5.755 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.251 -9.222 -4.567 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.648 -9.810 -4.064 1.00 0.00 H new ATOM 843 N SER A 53 -13.204 -13.033 -0.846 1.00 0.00 N ATOM 844 CA SER A 53 -11.839 -13.072 -0.241 1.00 0.00 C ATOM 845 C SER A 53 -10.982 -11.934 -0.800 1.00 0.00 C ATOM 846 O SER A 53 -11.305 -11.343 -1.812 1.00 0.00 O ATOM 847 CB SER A 53 -11.264 -14.428 -0.651 1.00 0.00 C ATOM 848 OG SER A 53 -12.157 -15.458 -0.248 1.00 0.00 O ATOM 0 H SER A 53 -13.317 -13.591 -1.692 1.00 0.00 H new ATOM 0 HA SER A 53 -11.862 -12.950 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.115 -14.462 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.288 -14.576 -0.190 1.00 0.00 H new ATOM 0 HG SER A 53 -11.792 -16.329 -0.511 1.00 0.00 H new ATOM 854 N ALA A 54 -9.888 -11.623 -0.146 1.00 0.00 N ATOM 855 CA ALA A 54 -8.997 -10.518 -0.630 1.00 0.00 C ATOM 856 C ALA A 54 -8.606 -10.740 -2.097 1.00 0.00 C ATOM 857 O ALA A 54 -8.406 -9.800 -2.843 1.00 0.00 O ATOM 858 CB ALA A 54 -7.757 -10.578 0.264 1.00 0.00 C ATOM 0 H ALA A 54 -9.572 -12.088 0.705 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.493 -9.549 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.057 -9.796 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.050 -10.429 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.279 -11.552 0.158 1.00 0.00 H new ATOM 864 N LYS A 55 -8.504 -11.977 -2.510 1.00 0.00 N ATOM 865 CA LYS A 55 -8.134 -12.270 -3.928 1.00 0.00 C ATOM 866 C LYS A 55 -9.324 -11.986 -4.849 1.00 0.00 C ATOM 867 O LYS A 55 -9.157 -11.672 -6.012 1.00 0.00 O ATOM 868 CB LYS A 55 -7.778 -13.758 -3.952 1.00 0.00 C ATOM 869 CG LYS A 55 -6.354 -13.952 -3.429 1.00 0.00 C ATOM 870 CD LYS A 55 -5.790 -15.273 -3.960 1.00 0.00 C ATOM 871 CE LYS A 55 -6.377 -16.436 -3.158 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.799 -17.661 -3.780 1.00 0.00 N ATOM 0 H LYS A 55 -8.661 -12.798 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.306 -11.652 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.482 -14.321 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.859 -14.146 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.723 -13.122 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.353 -13.956 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.033 -15.386 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.703 -15.275 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.109 -16.364 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.466 -16.442 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.155 -18.503 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.076 -17.706 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.762 -17.630 -3.709 1.00 0.00 H new ATOM 886 N GLU A 56 -10.523 -12.096 -4.334 1.00 0.00 N ATOM 887 CA GLU A 56 -11.732 -11.833 -5.170 1.00 0.00 C ATOM 888 C GLU A 56 -12.106 -10.349 -5.113 1.00 0.00 C ATOM 889 O GLU A 56 -12.548 -9.776 -6.091 1.00 0.00 O ATOM 890 CB GLU A 56 -12.837 -12.690 -4.550 1.00 0.00 C ATOM 891 CG GLU A 56 -12.510 -14.170 -4.754 1.00 0.00 C ATOM 892 CD GLU A 56 -13.773 -15.006 -4.543 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.161 -15.179 -3.399 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.332 -15.459 -5.528 1.00 0.00 O ATOM 0 H GLU A 56 -10.716 -12.358 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.568 -12.077 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.929 -12.470 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.797 -12.452 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.118 -14.332 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.734 -14.482 -4.055 1.00 0.00 H new ATOM 901 N LYS A 57 -11.928 -9.725 -3.974 1.00 0.00 N ATOM 902 CA LYS A 57 -12.273 -8.275 -3.850 1.00 0.00 C ATOM 903 C LYS A 57 -11.031 -7.404 -4.088 1.00 0.00 C ATOM 904 O LYS A 57 -10.962 -6.278 -3.632 1.00 0.00 O ATOM 905 CB LYS A 57 -12.792 -8.103 -2.417 1.00 0.00 C ATOM 906 CG LYS A 57 -11.705 -8.493 -1.404 1.00 0.00 C ATOM 907 CD LYS A 57 -11.554 -7.390 -0.351 1.00 0.00 C ATOM 908 CE LYS A 57 -10.664 -6.275 -0.904 1.00 0.00 C ATOM 909 NZ LYS A 57 -10.147 -5.566 0.300 1.00 0.00 N ATOM 0 H LYS A 57 -11.559 -10.157 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.015 -7.968 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.095 -7.069 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.677 -8.722 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.966 -9.435 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.756 -8.650 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.533 -6.990 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.118 -7.800 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.849 -6.680 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.229 -5.601 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.461 -4.840 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.937 -5.113 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.681 -6.248 0.931 1.00 0.00 H new ATOM 923 N SER A 58 -10.057 -7.915 -4.800 1.00 0.00 N ATOM 924 CA SER A 58 -8.823 -7.116 -5.069 1.00 0.00 C ATOM 925 C SER A 58 -9.100 -6.077 -6.159 1.00 0.00 C ATOM 926 O SER A 58 -8.502 -5.019 -6.184 1.00 0.00 O ATOM 927 CB SER A 58 -7.784 -8.130 -5.546 1.00 0.00 C ATOM 928 OG SER A 58 -8.331 -8.898 -6.609 1.00 0.00 O ATOM 0 H SER A 58 -10.064 -8.851 -5.206 1.00 0.00 H new ATOM 0 HA SER A 58 -8.482 -6.573 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.883 -7.615 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.492 -8.783 -4.723 1.00 0.00 H new ATOM 0 HG SER A 58 -8.576 -9.787 -6.278 1.00 0.00 H new ATOM 934 N LYS A 59 -10.008 -6.375 -7.055 1.00 0.00 N ATOM 935 CA LYS A 59 -10.335 -5.406 -8.146 1.00 0.00 C ATOM 936 C LYS A 59 -11.024 -4.172 -7.558 1.00 0.00 C ATOM 937 O LYS A 59 -10.836 -3.065 -8.027 1.00 0.00 O ATOM 938 CB LYS A 59 -11.286 -6.156 -9.081 1.00 0.00 C ATOM 939 CG LYS A 59 -11.478 -5.351 -10.368 1.00 0.00 C ATOM 940 CD LYS A 59 -12.475 -6.071 -11.277 1.00 0.00 C ATOM 941 CE LYS A 59 -13.054 -5.079 -12.289 1.00 0.00 C ATOM 942 NZ LYS A 59 -11.983 -4.903 -13.310 1.00 0.00 N ATOM 0 H LYS A 59 -10.537 -7.247 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.445 -5.059 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.882 -7.142 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.247 -6.312 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.841 -4.351 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.523 -5.231 -10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.981 -6.891 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.276 -6.508 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.969 -5.463 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.306 -4.131 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.828 -3.889 -13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.102 -5.335 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.271 -5.362 -14.198 1.00 0.00 H new ATOM 956 N PHE A 60 -11.815 -4.359 -6.532 1.00 0.00 N ATOM 957 CA PHE A 60 -12.519 -3.200 -5.902 1.00 0.00 C ATOM 958 C PHE A 60 -11.522 -2.355 -5.107 1.00 0.00 C ATOM 959 O PHE A 60 -11.547 -1.139 -5.159 1.00 0.00 O ATOM 960 CB PHE A 60 -13.561 -3.821 -4.968 1.00 0.00 C ATOM 961 CG PHE A 60 -14.665 -4.445 -5.788 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.612 -3.633 -6.421 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.741 -5.838 -5.913 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.635 -4.211 -7.182 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.765 -6.417 -6.672 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.712 -5.604 -7.306 1.00 0.00 C ATOM 0 H PHE A 60 -12.004 -5.265 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.980 -2.545 -6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.094 -4.575 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.972 -3.059 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.554 -2.559 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.010 -6.465 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.364 -3.583 -7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.824 -7.491 -6.768 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.502 -6.051 -7.891 1.00 0.00 H new ATOM 976 N GLU A 61 -10.643 -2.993 -4.375 1.00 0.00 N ATOM 977 CA GLU A 61 -9.635 -2.234 -3.574 1.00 0.00 C ATOM 978 C GLU A 61 -8.619 -1.568 -4.507 1.00 0.00 C ATOM 979 O GLU A 61 -8.069 -0.528 -4.198 1.00 0.00 O ATOM 980 CB GLU A 61 -8.948 -3.279 -2.693 1.00 0.00 C ATOM 981 CG GLU A 61 -8.455 -2.616 -1.405 1.00 0.00 C ATOM 982 CD GLU A 61 -7.387 -3.497 -0.754 1.00 0.00 C ATOM 983 OE1 GLU A 61 -7.731 -4.578 -0.304 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.243 -3.075 -0.714 1.00 0.00 O ATOM 0 H GLU A 61 -10.580 -4.008 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.093 -1.444 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.643 -4.085 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.110 -3.727 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.044 -1.631 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.288 -2.468 -0.718 1.00 0.00 H new ATOM 991 N ASP A 62 -8.372 -2.162 -5.647 1.00 0.00 N ATOM 992 CA ASP A 62 -7.394 -1.571 -6.610 1.00 0.00 C ATOM 993 C ASP A 62 -8.055 -0.441 -7.404 1.00 0.00 C ATOM 994 O ASP A 62 -7.404 0.497 -7.822 1.00 0.00 O ATOM 995 CB ASP A 62 -7.003 -2.722 -7.538 1.00 0.00 C ATOM 996 CG ASP A 62 -5.820 -3.483 -6.939 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.835 -2.843 -6.608 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.918 -4.693 -6.819 1.00 0.00 O ATOM 0 H ASP A 62 -8.806 -3.033 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.527 -1.143 -6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.849 -3.395 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.739 -2.336 -8.522 1.00 0.00 H new ATOM 1003 N MET A 63 -9.346 -0.527 -7.610 1.00 0.00 N ATOM 1004 CA MET A 63 -10.060 0.539 -8.374 1.00 0.00 C ATOM 1005 C MET A 63 -10.258 1.775 -7.491 1.00 0.00 C ATOM 1006 O MET A 63 -10.304 2.891 -7.974 1.00 0.00 O ATOM 1007 CB MET A 63 -11.409 -0.073 -8.754 1.00 0.00 C ATOM 1008 CG MET A 63 -11.264 -0.861 -10.056 1.00 0.00 C ATOM 1009 SD MET A 63 -12.907 -1.246 -10.713 1.00 0.00 S ATOM 1010 CE MET A 63 -13.154 0.298 -11.626 1.00 0.00 C ATOM 0 H MET A 63 -9.936 -1.291 -7.281 1.00 0.00 H new ATOM 0 HA MET A 63 -9.502 0.861 -9.253 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.760 -0.729 -7.957 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.156 0.712 -8.873 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.696 -0.281 -10.784 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.707 -1.781 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.219 0.524 -11.678 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.635 1.110 -11.115 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.756 0.192 -12.635 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.375 1.578 -6.202 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.569 2.736 -5.278 1.00 0.00 C ATOM 1022 C ALA A 64 -9.241 3.465 -5.065 1.00 0.00 C ATOM 1023 O ALA A 64 -9.194 4.679 -4.996 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.060 2.123 -3.965 1.00 0.00 C ATOM 0 H ALA A 64 -10.344 0.664 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.276 3.466 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.226 2.914 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.994 1.589 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.311 1.429 -3.585 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.161 2.731 -4.965 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.828 3.374 -4.760 1.00 0.00 C ATOM 1032 C LYS A 65 -6.434 4.172 -6.005 1.00 0.00 C ATOM 1033 O LYS A 65 -5.752 5.176 -5.919 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.851 2.218 -4.534 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.515 2.769 -4.031 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.594 3.041 -5.222 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.136 3.026 -4.757 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.352 3.489 -5.935 1.00 0.00 N ATOM 0 H LYS A 65 -8.146 1.712 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.832 4.069 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.263 1.516 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.703 1.667 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.678 3.687 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.048 2.056 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.748 2.287 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.834 4.006 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.988 3.684 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.831 2.027 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.340 3.506 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.507 2.840 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.660 4.446 -6.203 1.00 0.00 H new ATOM 1052 N SER A 66 -6.863 3.732 -7.162 1.00 0.00 N ATOM 1053 CA SER A 66 -6.520 4.463 -8.420 1.00 0.00 C ATOM 1054 C SER A 66 -7.140 5.862 -8.399 1.00 0.00 C ATOM 1055 O SER A 66 -6.491 6.841 -8.714 1.00 0.00 O ATOM 1056 CB SER A 66 -7.123 3.627 -9.551 1.00 0.00 C ATOM 1057 OG SER A 66 -6.703 4.156 -10.802 1.00 0.00 O ATOM 0 H SER A 66 -7.436 2.898 -7.289 1.00 0.00 H new ATOM 0 HA SER A 66 -5.444 4.590 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.808 2.588 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.211 3.637 -9.486 1.00 0.00 H new ATOM 0 HG SER A 66 -7.086 3.621 -11.528 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.391 5.958 -8.026 1.00 0.00 N ATOM 1064 CA ASP A 67 -9.064 7.291 -7.977 1.00 0.00 C ATOM 1065 C ASP A 67 -8.710 8.013 -6.674 1.00 0.00 C ATOM 1066 O ASP A 67 -8.678 9.227 -6.617 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.561 6.983 -8.030 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.337 8.268 -8.328 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.359 9.135 -7.470 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.894 8.363 -9.408 1.00 0.00 O ATOM 0 H ASP A 67 -8.976 5.169 -7.753 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.754 7.941 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.763 6.237 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.890 6.559 -7.081 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.442 7.270 -5.628 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.086 7.906 -4.323 1.00 0.00 C ATOM 1077 C LYS A 68 -6.690 8.527 -4.402 1.00 0.00 C ATOM 1078 O LYS A 68 -6.404 9.517 -3.755 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.110 6.767 -3.301 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.840 7.328 -1.903 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.488 6.183 -0.951 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.749 5.721 -0.217 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.275 4.592 -1.035 1.00 0.00 N ATOM 0 H LYS A 68 -8.455 6.250 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.776 8.706 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.078 6.266 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.358 6.020 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.022 8.048 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.718 7.861 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.055 5.353 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.737 6.511 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.520 5.400 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.479 6.527 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.817 3.945 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.894 4.964 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.481 4.077 -1.467 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.820 7.952 -5.195 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.438 8.504 -5.326 1.00 0.00 C ATOM 1099 C ALA A 69 -4.396 9.559 -6.434 1.00 0.00 C ATOM 1100 O ALA A 69 -3.604 10.482 -6.394 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.567 7.303 -5.693 1.00 0.00 C ATOM 0 H ALA A 69 -6.009 7.123 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.096 8.990 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.532 7.626 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.628 6.554 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.919 6.871 -6.630 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.244 9.426 -7.422 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.263 10.418 -8.540 1.00 0.00 C ATOM 1109 C ARG A 70 -5.945 11.714 -8.090 1.00 0.00 C ATOM 1110 O ARG A 70 -5.676 12.779 -8.613 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.068 9.750 -9.657 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.883 10.533 -10.957 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.537 9.767 -12.111 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.164 10.528 -13.336 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.665 9.901 -14.366 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.490 9.340 -14.282 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -6.342 9.835 -15.480 1.00 0.00 N ATOM 0 H ARG A 70 -5.926 8.672 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.258 10.685 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.739 8.720 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.124 9.715 -9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.329 11.523 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.822 10.679 -11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.175 8.740 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.619 9.719 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.299 11.539 -13.370 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.961 9.391 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.100 8.850 -15.087 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.261 10.273 -15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.952 9.345 -16.285 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.827 11.629 -7.123 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.532 12.857 -6.634 1.00 0.00 C ATOM 1133 C TYR A 71 -6.519 13.883 -6.116 1.00 0.00 C ATOM 1134 O TYR A 71 -6.757 15.076 -6.153 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.435 12.378 -5.495 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.456 13.444 -5.180 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.150 14.457 -4.264 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.709 13.419 -5.803 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.097 15.447 -3.972 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.656 14.409 -5.511 1.00 0.00 C ATOM 1141 CZ TYR A 71 -11.350 15.422 -4.595 1.00 0.00 C ATOM 1142 OH TYR A 71 -12.283 16.398 -4.307 1.00 0.00 O ATOM 0 H TYR A 71 -7.089 10.763 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.100 13.343 -7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.936 11.452 -5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.837 12.159 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.184 14.475 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.946 12.637 -6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.860 16.229 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.622 14.391 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.850 17.277 -4.313 1.00 0.00 H new ATOM 1152 N ASP A 72 -5.391 13.424 -5.633 1.00 0.00 N ATOM 1153 CA ASP A 72 -4.355 14.368 -5.110 1.00 0.00 C ATOM 1154 C ASP A 72 -3.811 15.236 -6.247 1.00 0.00 C ATOM 1155 O ASP A 72 -3.446 16.379 -6.044 1.00 0.00 O ATOM 1156 CB ASP A 72 -3.249 13.477 -4.538 1.00 0.00 C ATOM 1157 CG ASP A 72 -2.275 14.331 -3.726 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -2.617 14.686 -2.609 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -1.203 14.617 -4.233 1.00 0.00 O ATOM 0 H ASP A 72 -5.143 12.436 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.759 15.045 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.682 12.701 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.720 12.972 -5.346 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.756 14.700 -7.440 1.00 0.00 N ATOM 1165 CA ARG A 73 -3.237 15.487 -8.598 1.00 0.00 C ATOM 1166 C ARG A 73 -4.356 15.731 -9.614 1.00 0.00 C ATOM 1167 O ARG A 73 -4.126 15.758 -10.808 1.00 0.00 O ATOM 1168 CB ARG A 73 -2.139 14.616 -9.209 1.00 0.00 C ATOM 1169 CG ARG A 73 -0.844 14.793 -8.415 1.00 0.00 C ATOM 1170 CD ARG A 73 0.223 13.840 -8.958 1.00 0.00 C ATOM 1171 NE ARG A 73 1.409 14.051 -8.081 1.00 0.00 N ATOM 1172 CZ ARG A 73 2.612 13.957 -8.576 1.00 0.00 C ATOM 1173 NH1 ARG A 73 3.139 12.781 -8.790 1.00 0.00 N ATOM 1174 NH2 ARG A 73 3.289 15.036 -8.858 1.00 0.00 N ATOM 0 H ARG A 73 -4.049 13.749 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.861 16.465 -8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.443 13.569 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.979 14.892 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.498 15.824 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.022 14.592 -7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.116 12.805 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.457 14.062 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 73 1.280 14.269 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.610 11.937 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.080 12.707 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.878 15.954 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.230 14.961 -9.245 1.00 0.00 H new ATOM 1188 N GLU A 74 -5.565 15.909 -9.144 1.00 0.00 N ATOM 1189 CA GLU A 74 -6.708 16.151 -10.075 1.00 0.00 C ATOM 1190 C GLU A 74 -7.257 17.567 -9.881 1.00 0.00 C ATOM 1191 O GLU A 74 -7.715 18.197 -10.816 1.00 0.00 O ATOM 1192 CB GLU A 74 -7.759 15.110 -9.688 1.00 0.00 C ATOM 1193 CG GLU A 74 -8.886 15.111 -10.723 1.00 0.00 C ATOM 1194 CD GLU A 74 -9.643 13.784 -10.653 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -8.992 12.756 -10.563 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -10.862 13.818 -10.690 1.00 0.00 O ATOM 0 H GLU A 74 -5.810 15.897 -8.154 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.415 16.065 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.303 14.121 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.159 15.333 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.567 15.941 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.476 15.256 -11.723 1.00 0.00 H new ATOM 1203 N MET A 75 -7.214 18.068 -8.673 1.00 0.00 N ATOM 1204 CA MET A 75 -7.732 19.444 -8.407 1.00 0.00 C ATOM 1205 C MET A 75 -6.573 20.442 -8.339 1.00 0.00 C ATOM 1206 O MET A 75 -6.712 21.593 -8.709 1.00 0.00 O ATOM 1207 CB MET A 75 -8.435 19.346 -7.052 1.00 0.00 C ATOM 1208 CG MET A 75 -9.806 18.692 -7.235 1.00 0.00 C ATOM 1209 SD MET A 75 -10.552 18.391 -5.613 1.00 0.00 S ATOM 1210 CE MET A 75 -12.052 19.371 -5.868 1.00 0.00 C ATOM 0 H MET A 75 -6.841 17.582 -7.857 1.00 0.00 H new ATOM 0 HA MET A 75 -8.404 19.792 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.831 18.761 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.549 20.339 -6.617 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.452 19.337 -7.830 1.00 0.00 H new ATOM 0 HG3 MET A 75 -9.703 17.754 -7.780 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.772 19.145 -5.082 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.803 20.432 -5.839 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.486 19.127 -6.838 1.00 0.00 H new ATOM 1220 N LYS A 76 -5.431 20.007 -7.869 1.00 0.00 N ATOM 1221 CA LYS A 76 -4.256 20.924 -7.773 1.00 0.00 C ATOM 1222 C LYS A 76 -2.951 20.129 -7.889 1.00 0.00 C ATOM 1223 O LYS A 76 -2.874 18.985 -7.482 1.00 0.00 O ATOM 1224 CB LYS A 76 -4.371 21.585 -6.393 1.00 0.00 C ATOM 1225 CG LYS A 76 -4.351 20.520 -5.291 1.00 0.00 C ATOM 1226 CD LYS A 76 -5.238 20.970 -4.129 1.00 0.00 C ATOM 1227 CE LYS A 76 -5.606 19.760 -3.269 1.00 0.00 C ATOM 1228 NZ LYS A 76 -4.504 19.647 -2.272 1.00 0.00 N ATOM 0 H LYS A 76 -5.262 19.054 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.245 21.664 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.548 22.285 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.294 22.162 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.705 19.567 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.330 20.361 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.716 21.713 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.141 21.446 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.569 19.902 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.686 18.856 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.685 18.838 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.601 19.505 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.456 20.519 -1.707 1.00 0.00 H new ATOM 1242 N ASN A 77 -1.928 20.729 -8.441 1.00 0.00 N ATOM 1243 CA ASN A 77 -0.624 20.016 -8.588 1.00 0.00 C ATOM 1244 C ASN A 77 0.410 20.601 -7.621 1.00 0.00 C ATOM 1245 O ASN A 77 0.004 21.248 -6.671 1.00 0.00 O ATOM 1246 CB ASN A 77 -0.201 20.260 -10.037 1.00 0.00 C ATOM 1247 CG ASN A 77 -1.050 19.394 -10.970 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -1.059 18.185 -10.855 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -1.769 19.967 -11.896 1.00 0.00 N ATOM 1250 OXT ASN A 77 1.591 20.391 -7.849 1.00 0.00 O ATOM 0 H ASN A 77 -1.940 21.685 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.706 18.953 -8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.323 21.313 -10.290 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.855 20.022 -10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.339 19.399 -12.523 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.761 20.982 -11.992 1.00 0.00 H new TER 1257 ASN A 77