USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HD1:sc= 0.816 K(o=3.4,f=-7!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 2.11 K(o=3.4,f=-9.1!) USER MOD Set 1.3: A 113 CYS SG : rot 76:sc= 0.484 USER MOD Set 2.1: A 109 THR OG1 : rot 126:sc= 0.39 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.826 K(o=1.2,f=-0.87!) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.799 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -171:sc= 2.03 (180deg=1.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.00225 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 1:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 171:sc= 0 (180deg=-0.0592) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 2.52 (180deg=2.26) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= 1.27 (180deg=1.13) USER MOD Single : A 66 TYR OH : rot -57:sc= 0.19 USER MOD Single : A 71 SER OG : rot 91:sc= 0.845 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.09 K(o=1.1,f=-0.24) USER MOD Single : A 77 ASN : amide:sc= 0.978 K(o=0.98,f=-1.9!) USER MOD Single : A 78 ASN : amide:sc= -0.235! C(o=-0.23!,f=-6.2!) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.02) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 90:sc= 0.416 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0315 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.13) USER MOD Single : A 102 GLN : amide:sc= 0.605 K(o=0.6,f=-0.0039) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -137:sc= 2.35 (180deg=0.631) USER MOD Single : A 110 SER OG : rot -82:sc= 1.33 USER MOD Single : A 115 HIS : no HD1:sc= 0.114 K(o=0.11,f=-2.5!) USER MOD Single : A 118 ASN : amide:sc= 1.07 K(o=1.1,f=0.53) USER MOD Single : A 122 TYR OH : rot -10:sc= 0.0591 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.477 -11.758 8.899 1.00 0.00 N ATOM 2 CA MET A 1 22.840 -10.700 9.719 1.00 0.00 C ATOM 3 C MET A 1 22.400 -9.537 8.823 1.00 0.00 C ATOM 4 O MET A 1 23.159 -9.088 7.960 1.00 0.00 O ATOM 5 CB MET A 1 23.779 -10.225 10.850 1.00 0.00 C ATOM 6 CG MET A 1 23.131 -9.184 11.777 1.00 0.00 C ATOM 7 SD MET A 1 21.579 -9.710 12.559 1.00 0.00 S ATOM 8 CE MET A 1 21.139 -8.176 13.420 1.00 0.00 C ATOM 0 H1 MET A 1 24.213 -12.235 9.458 1.00 0.00 H new ATOM 0 H2 MET A 1 22.759 -12.452 8.609 1.00 0.00 H new ATOM 0 H3 MET A 1 23.907 -11.331 8.054 1.00 0.00 H new ATOM 0 HA MET A 1 21.954 -11.116 10.198 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.089 -11.086 11.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.681 -9.799 10.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.844 -8.923 12.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.941 -8.277 11.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.202 -8.317 13.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.928 -7.916 14.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.022 -7.372 12.694 1.00 0.00 H new ATOM 20 N ARG A 2 21.178 -9.028 9.028 1.00 0.00 N ATOM 21 CA ARG A 2 20.643 -7.845 8.351 1.00 0.00 C ATOM 22 C ARG A 2 19.634 -7.177 9.291 1.00 0.00 C ATOM 23 O ARG A 2 19.225 -7.784 10.285 1.00 0.00 O ATOM 24 CB ARG A 2 19.951 -8.261 7.034 1.00 0.00 C ATOM 25 CG ARG A 2 19.974 -7.149 5.967 1.00 0.00 C ATOM 26 CD ARG A 2 18.753 -7.183 5.041 1.00 0.00 C ATOM 27 NE ARG A 2 17.537 -6.717 5.738 1.00 0.00 N ATOM 28 CZ ARG A 2 16.541 -5.990 5.216 1.00 0.00 C ATOM 29 NH1 ARG A 2 16.545 -5.649 3.930 1.00 0.00 N ATOM 30 NH2 ARG A 2 15.539 -5.608 6.001 1.00 0.00 N ATOM 0 H ARG A 2 20.518 -9.441 9.688 1.00 0.00 H new ATOM 0 HA ARG A 2 21.447 -7.150 8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 2 20.442 -9.149 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 2 18.917 -8.535 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 2 20.021 -6.179 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 2 20.880 -7.246 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.938 -6.556 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.599 -8.198 4.676 1.00 0.00 H new ATOM 0 HE ARG A 2 17.446 -6.976 6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 2 17.314 -5.942 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.779 -5.095 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.536 -5.869 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.773 -5.054 5.617 1.00 0.00 H new ATOM 44 N ALA A 3 19.209 -5.953 8.966 1.00 0.00 N ATOM 45 CA ALA A 3 18.089 -5.298 9.635 1.00 0.00 C ATOM 46 C ALA A 3 16.822 -6.161 9.481 1.00 0.00 C ATOM 47 O ALA A 3 16.674 -6.819 8.443 1.00 0.00 O ATOM 48 CB ALA A 3 17.880 -3.911 9.011 1.00 0.00 C ATOM 0 H ALA A 3 19.635 -5.390 8.230 1.00 0.00 H new ATOM 0 HA ALA A 3 18.300 -5.182 10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.045 -3.412 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.784 -3.315 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.662 -4.019 7.948 1.00 0.00 H new ATOM 54 N PRO A 4 15.877 -6.128 10.438 1.00 0.00 N ATOM 55 CA PRO A 4 14.613 -6.849 10.331 1.00 0.00 C ATOM 56 C PRO A 4 13.749 -6.243 9.219 1.00 0.00 C ATOM 57 O PRO A 4 14.121 -5.233 8.612 1.00 0.00 O ATOM 58 CB PRO A 4 13.955 -6.691 11.706 1.00 0.00 C ATOM 59 CG PRO A 4 14.440 -5.315 12.159 1.00 0.00 C ATOM 60 CD PRO A 4 15.871 -5.279 11.622 1.00 0.00 C ATOM 0 HA PRO A 4 14.747 -7.899 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.868 -6.735 11.641 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.266 -7.476 12.395 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.830 -4.512 11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.410 -5.210 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.169 -4.260 11.373 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.577 -5.644 12.368 1.00 0.00 H new ATOM 68 N ILE A 5 12.588 -6.840 8.946 1.00 0.00 N ATOM 69 CA ILE A 5 11.591 -6.203 8.093 1.00 0.00 C ATOM 70 C ILE A 5 10.866 -5.220 9.035 1.00 0.00 C ATOM 71 O ILE A 5 10.288 -5.671 10.028 1.00 0.00 O ATOM 72 CB ILE A 5 10.646 -7.232 7.427 1.00 0.00 C ATOM 73 CG1 ILE A 5 11.305 -8.582 7.056 1.00 0.00 C ATOM 74 CG2 ILE A 5 10.030 -6.600 6.166 1.00 0.00 C ATOM 75 CD1 ILE A 5 12.499 -8.506 6.097 1.00 0.00 C ATOM 0 H ILE A 5 12.319 -7.757 9.302 1.00 0.00 H new ATOM 0 HA ILE A 5 12.033 -5.686 7.241 1.00 0.00 H new ATOM 0 HB ILE A 5 9.890 -7.473 8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.633 -9.068 7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.546 -9.224 6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.362 -7.317 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.467 -5.709 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.824 -6.326 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.879 -9.510 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.182 -8.056 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.286 -7.898 6.543 1.00 0.00 H new ATOM 87 N PRO A 6 10.926 -3.895 8.807 1.00 0.00 N ATOM 88 CA PRO A 6 10.506 -2.922 9.812 1.00 0.00 C ATOM 89 C PRO A 6 8.996 -2.673 9.862 1.00 0.00 C ATOM 90 O PRO A 6 8.439 -2.484 10.945 1.00 0.00 O ATOM 91 CB PRO A 6 11.289 -1.655 9.460 1.00 0.00 C ATOM 92 CG PRO A 6 11.437 -1.731 7.939 1.00 0.00 C ATOM 93 CD PRO A 6 11.550 -3.232 7.672 1.00 0.00 C ATOM 0 HA PRO A 6 10.718 -3.290 10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.754 -0.756 9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.259 -1.633 9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.578 -1.295 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.320 -1.193 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.050 -3.500 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.593 -3.532 7.571 1.00 0.00 H new ATOM 101 N GLU A 7 8.335 -2.642 8.705 1.00 0.00 N ATOM 102 CA GLU A 7 6.919 -2.292 8.596 1.00 0.00 C ATOM 103 C GLU A 7 5.953 -3.410 9.040 1.00 0.00 C ATOM 104 O GLU A 7 5.027 -3.103 9.798 1.00 0.00 O ATOM 105 CB GLU A 7 6.586 -1.802 7.175 1.00 0.00 C ATOM 106 CG GLU A 7 7.232 -0.442 6.871 1.00 0.00 C ATOM 107 CD GLU A 7 6.836 0.076 5.478 1.00 0.00 C ATOM 108 OE1 GLU A 7 5.800 0.769 5.352 1.00 0.00 O ATOM 109 OE2 GLU A 7 7.567 -0.182 4.494 1.00 0.00 O ATOM 0 H GLU A 7 8.771 -2.861 7.809 1.00 0.00 H new ATOM 0 HA GLU A 7 6.761 -1.478 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.930 -2.538 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.505 -1.723 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.930 0.282 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.317 -0.532 6.931 1.00 0.00 H new ATOM 116 N PRO A 8 6.098 -4.676 8.601 1.00 0.00 N ATOM 117 CA PRO A 8 5.134 -5.728 8.901 1.00 0.00 C ATOM 118 C PRO A 8 5.328 -6.296 10.312 1.00 0.00 C ATOM 119 O PRO A 8 6.321 -6.022 10.993 1.00 0.00 O ATOM 120 CB PRO A 8 5.377 -6.807 7.839 1.00 0.00 C ATOM 121 CG PRO A 8 6.867 -6.678 7.541 1.00 0.00 C ATOM 122 CD PRO A 8 7.152 -5.194 7.748 1.00 0.00 C ATOM 0 HA PRO A 8 4.113 -5.347 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.126 -7.801 8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.773 -6.638 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.464 -7.297 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.100 -6.992 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.129 -5.049 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.170 -4.668 6.794 1.00 0.00 H new ATOM 130 N LYS A 9 4.399 -7.164 10.718 1.00 0.00 N ATOM 131 CA LYS A 9 4.499 -7.999 11.916 1.00 0.00 C ATOM 132 C LYS A 9 4.265 -9.444 11.469 1.00 0.00 C ATOM 133 O LYS A 9 3.482 -9.633 10.537 1.00 0.00 O ATOM 134 CB LYS A 9 3.446 -7.578 12.954 1.00 0.00 C ATOM 135 CG LYS A 9 3.723 -6.182 13.541 1.00 0.00 C ATOM 136 CD LYS A 9 2.671 -5.739 14.569 1.00 0.00 C ATOM 137 CE LYS A 9 2.690 -6.607 15.838 1.00 0.00 C ATOM 138 NZ LYS A 9 1.720 -6.132 16.856 1.00 0.00 N ATOM 0 H LYS A 9 3.529 -7.309 10.206 1.00 0.00 H new ATOM 0 HA LYS A 9 5.477 -7.891 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.460 -7.584 12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.423 -8.310 13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.706 -6.182 14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.758 -5.454 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.848 -4.699 14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.681 -5.785 14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.461 -7.639 15.574 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.693 -6.603 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.767 -6.746 17.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.953 -5.156 17.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.759 -6.160 16.460 1.00 0.00 H new ATOM 152 N PRO A 10 4.928 -10.457 12.057 1.00 0.00 N ATOM 153 CA PRO A 10 4.689 -11.856 11.713 1.00 0.00 C ATOM 154 C PRO A 10 3.183 -12.160 11.688 1.00 0.00 C ATOM 155 O PRO A 10 2.455 -11.790 12.615 1.00 0.00 O ATOM 156 CB PRO A 10 5.470 -12.673 12.747 1.00 0.00 C ATOM 157 CG PRO A 10 6.619 -11.739 13.131 1.00 0.00 C ATOM 158 CD PRO A 10 5.967 -10.357 13.072 1.00 0.00 C ATOM 0 HA PRO A 10 5.033 -12.110 10.710 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.853 -12.928 13.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.835 -13.610 12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.006 -11.961 14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.456 -11.821 12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.545 -10.081 14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.697 -9.590 12.812 1.00 0.00 H new ATOM 166 N GLY A 11 2.723 -12.810 10.618 1.00 0.00 N ATOM 167 CA GLY A 11 1.316 -12.986 10.299 1.00 0.00 C ATOM 168 C GLY A 11 0.856 -11.980 9.235 1.00 0.00 C ATOM 169 O GLY A 11 -0.323 -11.633 9.224 1.00 0.00 O ATOM 0 H GLY A 11 3.343 -13.240 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.146 -14.001 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.718 -12.863 11.202 1.00 0.00 H new ATOM 173 N ASP A 12 1.741 -11.495 8.353 1.00 0.00 N ATOM 174 CA ASP A 12 1.435 -10.425 7.391 1.00 0.00 C ATOM 175 C ASP A 12 1.706 -10.896 5.971 1.00 0.00 C ATOM 176 O ASP A 12 2.611 -11.697 5.736 1.00 0.00 O ATOM 177 CB ASP A 12 2.243 -9.149 7.669 1.00 0.00 C ATOM 178 CG ASP A 12 1.576 -8.193 8.671 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.517 -8.503 9.265 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.076 -7.051 8.776 1.00 0.00 O ATOM 0 H ASP A 12 2.699 -11.837 8.286 1.00 0.00 H new ATOM 0 HA ASP A 12 0.378 -10.186 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.226 -9.429 8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.403 -8.620 6.729 1.00 0.00 H new ATOM 185 N LEU A 13 0.921 -10.383 5.024 1.00 0.00 N ATOM 186 CA LEU A 13 1.050 -10.708 3.610 1.00 0.00 C ATOM 187 C LEU A 13 2.173 -9.862 3.016 1.00 0.00 C ATOM 188 O LEU A 13 2.220 -8.646 3.232 1.00 0.00 O ATOM 189 CB LEU A 13 -0.236 -10.384 2.826 1.00 0.00 C ATOM 190 CG LEU A 13 -1.503 -11.248 2.996 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.385 -11.109 1.753 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.169 -12.718 3.227 1.00 0.00 C ATOM 0 H LEU A 13 0.170 -9.722 5.223 1.00 0.00 H new ATOM 0 HA LEU A 13 1.253 -11.776 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.512 -9.359 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.022 -10.399 1.767 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.034 -10.890 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.280 -11.719 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.672 -10.065 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.832 -11.444 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.092 -13.287 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.609 -13.102 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.568 -12.817 4.131 1.00 0.00 H new ATOM 204 N ILE A 14 3.008 -10.484 2.189 1.00 0.00 N ATOM 205 CA ILE A 14 4.097 -9.843 1.472 1.00 0.00 C ATOM 206 C ILE A 14 3.874 -10.143 -0.006 1.00 0.00 C ATOM 207 O ILE A 14 3.670 -11.298 -0.385 1.00 0.00 O ATOM 208 CB ILE A 14 5.457 -10.409 1.951 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.684 -10.307 3.476 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.621 -9.755 1.187 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.743 -8.884 4.048 1.00 0.00 C ATOM 0 H ILE A 14 2.940 -11.483 1.995 1.00 0.00 H new ATOM 0 HA ILE A 14 4.116 -8.768 1.651 1.00 0.00 H new ATOM 0 HB ILE A 14 5.425 -11.475 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.884 -10.848 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.616 -10.816 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.566 -10.168 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.514 -9.954 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.609 -8.679 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.906 -8.931 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.562 -8.338 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.803 -8.371 3.845 1.00 0.00 H new ATOM 223 N GLU A 15 3.940 -9.114 -0.845 1.00 0.00 N ATOM 224 CA GLU A 15 4.015 -9.297 -2.282 1.00 0.00 C ATOM 225 C GLU A 15 5.475 -9.081 -2.673 1.00 0.00 C ATOM 226 O GLU A 15 6.215 -8.330 -2.036 1.00 0.00 O ATOM 227 CB GLU A 15 3.041 -8.387 -3.039 1.00 0.00 C ATOM 228 CG GLU A 15 3.408 -6.904 -2.967 1.00 0.00 C ATOM 229 CD GLU A 15 2.520 -6.058 -3.888 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.281 -6.046 -3.712 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.078 -5.380 -4.781 1.00 0.00 O ATOM 0 H GLU A 15 3.943 -8.139 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 15 3.701 -10.302 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.007 -8.694 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.038 -8.525 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.307 -6.553 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.453 -6.773 -3.247 1.00 0.00 H new ATOM 238 N ILE A 16 5.873 -9.746 -3.741 1.00 0.00 N ATOM 239 CA ILE A 16 7.219 -9.919 -4.232 1.00 0.00 C ATOM 240 C ILE A 16 7.137 -9.460 -5.686 1.00 0.00 C ATOM 241 O ILE A 16 6.526 -10.139 -6.512 1.00 0.00 O ATOM 242 CB ILE A 16 7.588 -11.416 -4.100 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.528 -11.988 -2.664 1.00 0.00 C ATOM 244 CG2 ILE A 16 8.941 -11.717 -4.757 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.618 -11.467 -1.726 1.00 0.00 C ATOM 0 H ILE A 16 5.197 -10.221 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 16 7.984 -9.360 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 16 6.799 -11.939 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.554 -11.754 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.600 -13.074 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.171 -12.777 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.896 -11.464 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.719 -11.125 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.499 -11.921 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.598 -11.725 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.535 -10.384 -1.638 1.00 0.00 H new ATOM 257 N PHE A 17 7.675 -8.290 -6.006 1.00 0.00 N ATOM 258 CA PHE A 17 7.741 -7.850 -7.395 1.00 0.00 C ATOM 259 C PHE A 17 8.790 -8.697 -8.117 1.00 0.00 C ATOM 260 O PHE A 17 9.860 -8.973 -7.561 1.00 0.00 O ATOM 261 CB PHE A 17 8.051 -6.349 -7.467 1.00 0.00 C ATOM 262 CG PHE A 17 6.886 -5.531 -7.991 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.747 -5.330 -9.379 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.923 -5.001 -7.107 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.659 -4.593 -9.881 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.836 -4.266 -7.615 1.00 0.00 C ATOM 267 CZ PHE A 17 4.704 -4.060 -9.000 1.00 0.00 C ATOM 0 H PHE A 17 8.068 -7.634 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 17 6.780 -7.990 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.322 -5.991 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.917 -6.192 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.478 -5.743 -10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.020 -5.159 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.558 -4.437 -10.945 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.100 -3.858 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.870 -3.493 -9.385 1.00 0.00 H new ATOM 277 N ARG A 18 8.501 -9.118 -9.354 1.00 0.00 N ATOM 278 CA ARG A 18 9.371 -9.979 -10.142 1.00 0.00 C ATOM 279 C ARG A 18 9.597 -9.342 -11.519 1.00 0.00 C ATOM 280 O ARG A 18 8.884 -8.396 -11.859 1.00 0.00 O ATOM 281 CB ARG A 18 8.713 -11.371 -10.200 1.00 0.00 C ATOM 282 CG ARG A 18 8.630 -12.037 -8.815 1.00 0.00 C ATOM 283 CD ARG A 18 9.242 -13.438 -8.809 1.00 0.00 C ATOM 284 NE ARG A 18 9.806 -13.781 -7.490 1.00 0.00 N ATOM 285 CZ ARG A 18 9.991 -15.014 -7.006 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.566 -16.076 -7.688 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.606 -15.171 -5.837 1.00 0.00 N ATOM 0 H ARG A 18 7.640 -8.862 -9.838 1.00 0.00 H new ATOM 0 HA ARG A 18 10.360 -10.095 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.710 -11.279 -10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.281 -12.011 -10.875 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.145 -11.415 -8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.587 -12.097 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.480 -14.169 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.024 -13.497 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 18 10.081 -13.004 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.096 -15.952 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.710 -17.014 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.932 -14.355 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.752 -16.107 -5.459 1.00 0.00 H new ATOM 301 N PRO A 19 10.574 -9.821 -12.317 1.00 0.00 N ATOM 302 CA PRO A 19 11.015 -9.151 -13.543 1.00 0.00 C ATOM 303 C PRO A 19 9.907 -8.707 -14.508 1.00 0.00 C ATOM 304 O PRO A 19 10.031 -7.647 -15.125 1.00 0.00 O ATOM 305 CB PRO A 19 11.992 -10.124 -14.206 1.00 0.00 C ATOM 306 CG PRO A 19 12.629 -10.827 -13.011 1.00 0.00 C ATOM 307 CD PRO A 19 11.474 -10.932 -12.016 1.00 0.00 C ATOM 0 HA PRO A 19 11.471 -8.198 -13.276 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.480 -10.827 -14.863 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.734 -9.603 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.019 -11.808 -13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.462 -10.254 -12.603 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.960 -11.888 -12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.837 -10.872 -10.990 1.00 0.00 H new ATOM 315 N PHE A 20 8.828 -9.490 -14.621 1.00 0.00 N ATOM 316 CA PHE A 20 7.705 -9.229 -15.527 1.00 0.00 C ATOM 317 C PHE A 20 6.348 -9.560 -14.877 1.00 0.00 C ATOM 318 O PHE A 20 5.343 -9.672 -15.584 1.00 0.00 O ATOM 319 CB PHE A 20 7.904 -10.040 -16.825 1.00 0.00 C ATOM 320 CG PHE A 20 9.223 -9.806 -17.544 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.422 -8.629 -18.292 1.00 0.00 C ATOM 322 CD2 PHE A 20 10.256 -10.763 -17.465 1.00 0.00 C ATOM 323 CE1 PHE A 20 10.646 -8.405 -18.946 1.00 0.00 C ATOM 324 CE2 PHE A 20 11.480 -10.537 -18.119 1.00 0.00 C ATOM 325 CZ PHE A 20 11.677 -9.358 -18.859 1.00 0.00 C ATOM 0 H PHE A 20 8.709 -10.342 -14.072 1.00 0.00 H new ATOM 0 HA PHE A 20 7.689 -8.164 -15.758 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.823 -11.101 -16.587 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.089 -9.804 -17.510 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.632 -7.896 -18.363 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.106 -11.672 -16.901 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.795 -7.500 -19.516 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.270 -11.270 -18.053 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.618 -9.184 -19.360 1.00 0.00 H new ATOM 335 N TYR A 21 6.302 -9.779 -13.556 1.00 0.00 N ATOM 336 CA TYR A 21 5.133 -10.305 -12.848 1.00 0.00 C ATOM 337 C TYR A 21 5.228 -9.977 -11.354 1.00 0.00 C ATOM 338 O TYR A 21 6.085 -9.192 -10.942 1.00 0.00 O ATOM 339 CB TYR A 21 4.981 -11.821 -13.108 1.00 0.00 C ATOM 340 CG TYR A 21 6.014 -12.765 -12.499 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.337 -12.790 -12.980 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.623 -13.696 -11.519 1.00 0.00 C ATOM 343 CE1 TYR A 21 8.238 -13.782 -12.548 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.522 -14.672 -11.056 1.00 0.00 C ATOM 345 CZ TYR A 21 7.830 -14.737 -11.589 1.00 0.00 C ATOM 346 OH TYR A 21 8.689 -15.697 -11.139 1.00 0.00 O ATOM 0 H TYR A 21 7.093 -9.591 -12.940 1.00 0.00 H new ATOM 0 HA TYR A 21 4.233 -9.823 -13.230 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.999 -12.124 -12.745 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.984 -11.976 -14.187 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.664 -12.042 -13.687 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.621 -13.660 -11.118 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.240 -13.813 -12.949 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.214 -15.372 -10.293 1.00 0.00 H new ATOM 0 HH TYR A 21 8.232 -16.263 -10.482 1.00 0.00 H new ATOM 356 N ARG A 22 4.365 -10.576 -10.530 1.00 0.00 N ATOM 357 CA ARG A 22 4.402 -10.440 -9.079 1.00 0.00 C ATOM 358 C ARG A 22 4.145 -11.811 -8.470 1.00 0.00 C ATOM 359 O ARG A 22 3.505 -12.657 -9.093 1.00 0.00 O ATOM 360 CB ARG A 22 3.430 -9.333 -8.605 1.00 0.00 C ATOM 361 CG ARG A 22 1.960 -9.444 -9.066 1.00 0.00 C ATOM 362 CD ARG A 22 1.088 -10.284 -8.128 1.00 0.00 C ATOM 363 NE ARG A 22 -0.248 -10.549 -8.710 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.418 -10.526 -8.056 1.00 0.00 C ATOM 365 NH1 ARG A 22 -1.544 -9.848 -6.920 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.452 -11.221 -8.512 1.00 0.00 N ATOM 0 H ARG A 22 3.611 -11.178 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 22 5.382 -10.108 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.443 -9.315 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.819 -8.373 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.536 -8.443 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.932 -9.881 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.587 -11.230 -7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.974 -9.765 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.281 -10.771 -9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.746 -9.339 -6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.438 -9.836 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.358 -11.775 -9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.341 -11.201 -8.012 1.00 0.00 H new ATOM 380 N HIS A 23 4.642 -12.026 -7.265 1.00 0.00 N ATOM 381 CA HIS A 23 4.586 -13.273 -6.518 1.00 0.00 C ATOM 382 C HIS A 23 4.191 -12.929 -5.078 1.00 0.00 C ATOM 383 O HIS A 23 4.137 -11.747 -4.721 1.00 0.00 O ATOM 384 CB HIS A 23 5.955 -13.976 -6.632 1.00 0.00 C ATOM 385 CG HIS A 23 6.059 -15.261 -5.851 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.109 -16.280 -5.870 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.054 -15.595 -4.976 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.563 -17.216 -5.018 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.726 -16.831 -4.471 1.00 0.00 N ATOM 0 H HIS A 23 5.125 -11.291 -6.749 1.00 0.00 H new ATOM 0 HA HIS A 23 3.844 -13.969 -6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.156 -14.186 -7.683 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.731 -13.292 -6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.925 -15.005 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.061 -18.148 -4.804 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.274 -17.364 -3.796 1.00 0.00 H new ATOM 397 N TRP A 24 3.889 -13.926 -4.248 1.00 0.00 N ATOM 398 CA TRP A 24 3.350 -13.722 -2.912 1.00 0.00 C ATOM 399 C TRP A 24 3.999 -14.651 -1.902 1.00 0.00 C ATOM 400 O TRP A 24 4.342 -15.790 -2.222 1.00 0.00 O ATOM 401 CB TRP A 24 1.843 -13.965 -2.930 1.00 0.00 C ATOM 402 CG TRP A 24 1.062 -12.861 -3.550 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.724 -12.747 -4.850 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.534 -11.680 -2.889 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.003 -11.589 -5.027 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.163 -10.893 -3.847 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.578 -11.209 -1.566 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.822 -9.705 -3.495 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.059 -10.007 -1.205 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.768 -9.266 -2.163 1.00 0.00 C ATOM 0 H TRP A 24 4.015 -14.909 -4.491 1.00 0.00 H new ATOM 0 HA TRP A 24 3.563 -12.695 -2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.640 -14.889 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.496 -14.112 -1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.981 -13.450 -5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.378 -11.283 -5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.108 -11.777 -0.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.363 -9.137 -4.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.002 -9.653 -0.186 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.273 -8.356 -1.875 1.00 0.00 H new ATOM 421 N ALA A 25 4.099 -14.162 -0.669 1.00 0.00 N ATOM 422 CA ALA A 25 4.626 -14.858 0.485 1.00 0.00 C ATOM 423 C ALA A 25 3.905 -14.337 1.737 1.00 0.00 C ATOM 424 O ALA A 25 3.171 -13.348 1.675 1.00 0.00 O ATOM 425 CB ALA A 25 6.136 -14.595 0.556 1.00 0.00 C ATOM 0 H ALA A 25 3.795 -13.215 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 25 4.463 -15.933 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.555 -15.111 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.613 -14.963 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.315 -13.524 0.651 1.00 0.00 H new ATOM 431 N ILE A 26 4.118 -14.977 2.883 1.00 0.00 N ATOM 432 CA ILE A 26 3.550 -14.568 4.156 1.00 0.00 C ATOM 433 C ILE A 26 4.674 -14.573 5.191 1.00 0.00 C ATOM 434 O ILE A 26 5.433 -15.536 5.287 1.00 0.00 O ATOM 435 CB ILE A 26 2.341 -15.471 4.468 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.486 -14.862 5.591 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.705 -16.940 4.746 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.157 -15.601 5.726 1.00 0.00 C ATOM 0 H ILE A 26 4.702 -15.810 2.950 1.00 0.00 H new ATOM 0 HA ILE A 26 3.152 -13.553 4.152 1.00 0.00 H new ATOM 0 HB ILE A 26 1.743 -15.506 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.030 -14.909 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.301 -13.808 5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.798 -17.506 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.203 -17.363 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.373 -16.993 5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.430 -15.151 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.395 -15.531 4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.345 -16.649 5.959 1.00 0.00 H new ATOM 450 N TYR A 27 4.833 -13.460 5.899 1.00 0.00 N ATOM 451 CA TYR A 27 5.880 -13.203 6.877 1.00 0.00 C ATOM 452 C TYR A 27 5.539 -13.962 8.154 1.00 0.00 C ATOM 453 O TYR A 27 4.423 -13.825 8.655 1.00 0.00 O ATOM 454 CB TYR A 27 5.913 -11.681 7.073 1.00 0.00 C ATOM 455 CG TYR A 27 6.962 -11.107 8.002 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.327 -11.411 7.832 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.573 -10.172 8.977 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.290 -10.794 8.649 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.529 -9.554 9.799 1.00 0.00 C ATOM 460 CZ TYR A 27 8.896 -9.870 9.646 1.00 0.00 C ATOM 461 OH TYR A 27 9.810 -9.270 10.457 1.00 0.00 O ATOM 0 H TYR A 27 4.197 -12.669 5.799 1.00 0.00 H new ATOM 0 HA TYR A 27 6.867 -13.543 6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.046 -11.221 6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.935 -11.370 7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.633 -12.117 7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.528 -9.926 9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.336 -11.026 8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.219 -8.839 10.546 1.00 0.00 H new ATOM 0 HH TYR A 27 10.710 -9.573 10.215 1.00 0.00 H new ATOM 471 N VAL A 28 6.470 -14.768 8.677 1.00 0.00 N ATOM 472 CA VAL A 28 6.194 -15.720 9.765 1.00 0.00 C ATOM 473 C VAL A 28 7.308 -15.785 10.823 1.00 0.00 C ATOM 474 O VAL A 28 7.215 -16.568 11.769 1.00 0.00 O ATOM 475 CB VAL A 28 5.913 -17.125 9.188 1.00 0.00 C ATOM 476 CG1 VAL A 28 4.604 -17.175 8.387 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.069 -17.640 8.314 1.00 0.00 C ATOM 0 H VAL A 28 7.439 -14.780 8.359 1.00 0.00 H new ATOM 0 HA VAL A 28 5.308 -15.350 10.281 1.00 0.00 H new ATOM 0 HB VAL A 28 5.815 -17.780 10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.451 -18.183 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.770 -16.904 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.660 -16.474 7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.823 -18.631 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.225 -16.958 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.979 -17.697 8.911 1.00 0.00 H new ATOM 487 N GLY A 29 8.358 -14.979 10.688 1.00 0.00 N ATOM 488 CA GLY A 29 9.481 -14.924 11.614 1.00 0.00 C ATOM 489 C GLY A 29 10.108 -13.543 11.514 1.00 0.00 C ATOM 490 O GLY A 29 9.557 -12.675 10.845 1.00 0.00 O ATOM 0 H GLY A 29 8.452 -14.328 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.144 -15.116 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.214 -15.693 11.370 1.00 0.00 H new ATOM 494 N ASP A 30 11.251 -13.321 12.162 1.00 0.00 N ATOM 495 CA ASP A 30 11.881 -11.996 12.182 1.00 0.00 C ATOM 496 C ASP A 30 12.325 -11.535 10.784 1.00 0.00 C ATOM 497 O ASP A 30 12.300 -10.340 10.483 1.00 0.00 O ATOM 498 CB ASP A 30 13.076 -12.012 13.140 1.00 0.00 C ATOM 499 CG ASP A 30 13.761 -10.638 13.209 1.00 0.00 C ATOM 500 OD1 ASP A 30 13.206 -9.721 13.855 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.881 -10.493 12.672 1.00 0.00 O ATOM 0 H ASP A 30 11.760 -14.037 12.679 1.00 0.00 H new ATOM 0 HA ASP A 30 11.135 -11.281 12.529 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.742 -12.303 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.796 -12.763 12.813 1.00 0.00 H new ATOM 506 N GLY A 31 12.657 -12.487 9.906 1.00 0.00 N ATOM 507 CA GLY A 31 13.055 -12.236 8.521 1.00 0.00 C ATOM 508 C GLY A 31 12.668 -13.368 7.566 1.00 0.00 C ATOM 509 O GLY A 31 13.138 -13.379 6.430 1.00 0.00 O ATOM 0 H GLY A 31 12.656 -13.478 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.594 -11.309 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.134 -12.089 8.481 1.00 0.00 H new ATOM 513 N TYR A 32 11.839 -14.327 7.997 1.00 0.00 N ATOM 514 CA TYR A 32 11.473 -15.497 7.198 1.00 0.00 C ATOM 515 C TYR A 32 10.042 -15.381 6.698 1.00 0.00 C ATOM 516 O TYR A 32 9.180 -14.775 7.346 1.00 0.00 O ATOM 517 CB TYR A 32 11.641 -16.785 8.014 1.00 0.00 C ATOM 518 CG TYR A 32 13.084 -17.213 8.171 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.873 -16.665 9.199 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.642 -18.144 7.273 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.219 -17.049 9.334 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.988 -18.530 7.400 1.00 0.00 C ATOM 523 CZ TYR A 32 15.783 -17.984 8.435 1.00 0.00 C ATOM 524 OH TYR A 32 17.091 -18.346 8.575 1.00 0.00 O ATOM 0 H TYR A 32 11.401 -14.310 8.918 1.00 0.00 H new ATOM 0 HA TYR A 32 12.141 -15.539 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.203 -16.640 9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.082 -17.587 7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.445 -15.949 9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.034 -18.563 6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.823 -16.629 10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.414 -19.242 6.709 1.00 0.00 H new ATOM 0 HH TYR A 32 17.326 -18.997 7.881 1.00 0.00 H new ATOM 534 N VAL A 33 9.788 -16.037 5.570 1.00 0.00 N ATOM 535 CA VAL A 33 8.489 -16.092 4.928 1.00 0.00 C ATOM 536 C VAL A 33 8.168 -17.532 4.530 1.00 0.00 C ATOM 537 O VAL A 33 9.069 -18.335 4.284 1.00 0.00 O ATOM 538 CB VAL A 33 8.449 -15.173 3.688 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.494 -13.682 4.035 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.561 -15.467 2.667 1.00 0.00 C ATOM 0 H VAL A 33 10.505 -16.559 5.066 1.00 0.00 H new ATOM 0 HA VAL A 33 7.738 -15.740 5.635 1.00 0.00 H new ATOM 0 HB VAL A 33 7.485 -15.405 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.463 -13.094 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.637 -13.428 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.414 -13.462 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.470 -14.783 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.534 -15.333 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.468 -16.494 2.313 1.00 0.00 H new ATOM 550 N VAL A 34 6.879 -17.841 4.431 1.00 0.00 N ATOM 551 CA VAL A 34 6.347 -19.052 3.834 1.00 0.00 C ATOM 552 C VAL A 34 5.776 -18.630 2.481 1.00 0.00 C ATOM 553 O VAL A 34 5.215 -17.539 2.357 1.00 0.00 O ATOM 554 CB VAL A 34 5.316 -19.671 4.801 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.309 -20.614 4.135 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.082 -20.443 5.875 1.00 0.00 C ATOM 0 H VAL A 34 6.147 -17.223 4.782 1.00 0.00 H new ATOM 0 HA VAL A 34 7.089 -19.832 3.666 1.00 0.00 H new ATOM 0 HB VAL A 34 4.731 -18.848 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.623 -21.003 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.746 -20.069 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.841 -21.442 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.376 -20.892 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.676 -21.227 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.741 -19.761 6.413 1.00 0.00 H new ATOM 566 N HIS A 35 5.933 -19.460 1.453 1.00 0.00 N ATOM 567 CA HIS A 35 5.423 -19.168 0.116 1.00 0.00 C ATOM 568 C HIS A 35 5.312 -20.445 -0.710 1.00 0.00 C ATOM 569 O HIS A 35 5.813 -21.493 -0.297 1.00 0.00 O ATOM 570 CB HIS A 35 6.326 -18.137 -0.586 1.00 0.00 C ATOM 571 CG HIS A 35 7.667 -18.624 -1.091 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.238 -18.216 -2.301 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.538 -19.464 -0.452 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.430 -18.829 -2.366 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.637 -19.578 -1.273 1.00 0.00 N ATOM 0 H HIS A 35 6.418 -20.355 1.523 1.00 0.00 H new ATOM 0 HA HIS A 35 4.424 -18.742 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.775 -17.726 -1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.504 -17.316 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.392 -19.942 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.127 -18.732 -3.186 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.468 -20.138 -1.082 1.00 0.00 H new ATOM 583 N LEU A 36 4.667 -20.369 -1.877 1.00 0.00 N ATOM 584 CA LEU A 36 4.688 -21.463 -2.842 1.00 0.00 C ATOM 585 C LEU A 36 5.980 -21.349 -3.646 1.00 0.00 C ATOM 586 O LEU A 36 6.355 -20.257 -4.076 1.00 0.00 O ATOM 587 CB LEU A 36 3.482 -21.411 -3.802 1.00 0.00 C ATOM 588 CG LEU A 36 2.167 -22.046 -3.320 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.322 -23.524 -2.941 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.575 -21.303 -2.131 1.00 0.00 C ATOM 0 H LEU A 36 4.124 -19.558 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 36 4.633 -22.409 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.284 -20.365 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.771 -21.899 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 36 1.491 -21.971 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.361 -23.917 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.664 -24.088 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.051 -23.619 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.647 -21.787 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.283 -21.319 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.370 -20.270 -2.413 1.00 0.00 H new ATOM 602 N ALA A 37 6.615 -22.490 -3.896 1.00 0.00 N ATOM 603 CA ALA A 37 7.835 -22.640 -4.676 1.00 0.00 C ATOM 604 C ALA A 37 7.721 -23.935 -5.497 1.00 0.00 C ATOM 605 O ALA A 37 6.856 -24.766 -5.196 1.00 0.00 O ATOM 606 CB ALA A 37 9.018 -22.693 -3.698 1.00 0.00 C ATOM 0 H ALA A 37 6.272 -23.382 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 37 7.988 -21.808 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.947 -22.805 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.052 -21.771 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.895 -23.541 -3.024 1.00 0.00 H new ATOM 612 N PRO A 38 8.566 -24.151 -6.521 1.00 0.00 N ATOM 613 CA PRO A 38 8.607 -25.428 -7.228 1.00 0.00 C ATOM 614 C PRO A 38 9.003 -26.568 -6.275 1.00 0.00 C ATOM 615 O PRO A 38 9.652 -26.322 -5.249 1.00 0.00 O ATOM 616 CB PRO A 38 9.600 -25.237 -8.381 1.00 0.00 C ATOM 617 CG PRO A 38 10.477 -24.074 -7.925 1.00 0.00 C ATOM 618 CD PRO A 38 9.518 -23.216 -7.104 1.00 0.00 C ATOM 0 HA PRO A 38 7.631 -25.715 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.189 -26.138 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.087 -25.008 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.322 -24.417 -7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.887 -23.523 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.050 -22.663 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.013 -22.481 -7.731 1.00 0.00 H new ATOM 626 N PRO A 39 8.624 -27.820 -6.587 1.00 0.00 N ATOM 627 CA PRO A 39 8.921 -28.957 -5.731 1.00 0.00 C ATOM 628 C PRO A 39 10.434 -29.189 -5.639 1.00 0.00 C ATOM 629 O PRO A 39 11.151 -29.106 -6.640 1.00 0.00 O ATOM 630 CB PRO A 39 8.173 -30.146 -6.348 1.00 0.00 C ATOM 631 CG PRO A 39 8.022 -29.763 -7.819 1.00 0.00 C ATOM 632 CD PRO A 39 7.881 -28.244 -7.768 1.00 0.00 C ATOM 0 HA PRO A 39 8.595 -28.798 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.733 -31.074 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.204 -30.298 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.888 -30.068 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.149 -30.234 -8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.283 -27.783 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.834 -27.950 -7.699 1.00 0.00 H new ATOM 640 N SER A 40 10.911 -29.506 -4.433 1.00 0.00 N ATOM 641 CA SER A 40 12.318 -29.787 -4.163 1.00 0.00 C ATOM 642 C SER A 40 12.758 -31.157 -4.708 1.00 0.00 C ATOM 643 O SER A 40 13.957 -31.438 -4.766 1.00 0.00 O ATOM 644 CB SER A 40 12.546 -29.737 -2.648 1.00 0.00 C ATOM 645 OG SER A 40 11.948 -28.579 -2.078 1.00 0.00 O ATOM 0 H SER A 40 10.319 -29.575 -3.605 1.00 0.00 H new ATOM 0 HA SER A 40 12.918 -29.033 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.129 -30.631 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.616 -29.739 -2.438 1.00 0.00 H new ATOM 0 HG SER A 40 12.106 -28.572 -1.111 1.00 0.00 H new ATOM 651 N GLU A 41 11.804 -32.025 -5.070 1.00 0.00 N ATOM 652 CA GLU A 41 12.059 -33.382 -5.540 1.00 0.00 C ATOM 653 C GLU A 41 12.923 -33.346 -6.808 1.00 0.00 C ATOM 654 O GLU A 41 12.675 -32.548 -7.719 1.00 0.00 O ATOM 655 CB GLU A 41 10.729 -34.113 -5.797 1.00 0.00 C ATOM 656 CG GLU A 41 9.909 -34.283 -4.508 1.00 0.00 C ATOM 657 CD GLU A 41 8.610 -35.071 -4.747 1.00 0.00 C ATOM 658 OE1 GLU A 41 7.642 -34.493 -5.293 1.00 0.00 O ATOM 659 OE2 GLU A 41 8.533 -36.256 -4.347 1.00 0.00 O ATOM 0 H GLU A 41 10.811 -31.792 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 41 12.604 -33.930 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.144 -33.555 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.931 -35.093 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.512 -34.798 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.667 -33.301 -4.101 1.00 0.00 H new ATOM 666 N VAL A 42 13.941 -34.209 -6.861 1.00 0.00 N ATOM 667 CA VAL A 42 14.790 -34.392 -8.032 1.00 0.00 C ATOM 668 C VAL A 42 14.001 -35.059 -9.164 1.00 0.00 C ATOM 669 O VAL A 42 12.918 -35.612 -8.953 1.00 0.00 O ATOM 670 CB VAL A 42 16.056 -35.202 -7.665 1.00 0.00 C ATOM 671 CG1 VAL A 42 16.984 -34.376 -6.759 1.00 0.00 C ATOM 672 CG2 VAL A 42 15.752 -36.546 -6.977 1.00 0.00 C ATOM 0 H VAL A 42 14.199 -34.808 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 42 15.117 -33.414 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 42 16.545 -35.425 -8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.868 -34.963 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.286 -33.467 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.457 -34.112 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.687 -37.058 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.203 -36.366 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.151 -37.167 -7.641 1.00 0.00 H new ATOM 682 N ALA A 43 14.598 -35.075 -10.357 1.00 0.00 N ATOM 683 CA ALA A 43 14.078 -35.742 -11.546 1.00 0.00 C ATOM 684 C ALA A 43 13.670 -37.194 -11.260 1.00 0.00 C ATOM 685 O ALA A 43 12.618 -37.634 -11.723 1.00 0.00 O ATOM 686 CB ALA A 43 15.151 -35.687 -12.636 1.00 0.00 C ATOM 0 H ALA A 43 15.488 -34.606 -10.525 1.00 0.00 H new ATOM 0 HA ALA A 43 13.176 -35.226 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.782 -36.181 -13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.386 -34.647 -12.864 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.051 -36.194 -12.287 1.00 0.00 H new ATOM 692 N GLY A 44 14.444 -37.912 -10.439 1.00 0.00 N ATOM 693 CA GLY A 44 14.166 -39.292 -10.042 1.00 0.00 C ATOM 694 C GLY A 44 12.797 -39.499 -9.380 1.00 0.00 C ATOM 695 O GLY A 44 12.331 -40.639 -9.315 1.00 0.00 O ATOM 0 H GLY A 44 15.299 -37.540 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.230 -39.930 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.943 -39.622 -9.352 1.00 0.00 H new ATOM 699 N ALA A 45 12.139 -38.430 -8.915 1.00 0.00 N ATOM 700 CA ALA A 45 10.814 -38.458 -8.304 1.00 0.00 C ATOM 701 C ALA A 45 9.934 -37.298 -8.811 1.00 0.00 C ATOM 702 O ALA A 45 8.945 -36.955 -8.157 1.00 0.00 O ATOM 703 CB ALA A 45 10.983 -38.432 -6.777 1.00 0.00 C ATOM 0 H ALA A 45 12.533 -37.490 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 45 10.295 -39.373 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.002 -38.452 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.558 -39.302 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.509 -37.523 -6.485 1.00 0.00 H new ATOM 709 N GLY A 46 10.275 -36.670 -9.944 1.00 0.00 N ATOM 710 CA GLY A 46 9.598 -35.454 -10.391 1.00 0.00 C ATOM 711 C GLY A 46 10.044 -34.942 -11.762 1.00 0.00 C ATOM 712 O GLY A 46 9.979 -33.734 -11.999 1.00 0.00 O ATOM 0 H GLY A 46 11.018 -36.988 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.525 -35.642 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.765 -34.669 -9.653 1.00 0.00 H new ATOM 716 N ALA A 47 10.529 -35.817 -12.652 1.00 0.00 N ATOM 717 CA ALA A 47 10.883 -35.445 -14.020 1.00 0.00 C ATOM 718 C ALA A 47 9.659 -34.917 -14.782 1.00 0.00 C ATOM 719 O ALA A 47 8.518 -35.285 -14.486 1.00 0.00 O ATOM 720 CB ALA A 47 11.483 -36.653 -14.754 1.00 0.00 C ATOM 0 H ALA A 47 10.686 -36.802 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 47 11.625 -34.648 -13.976 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.744 -36.367 -15.773 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.378 -36.989 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.753 -37.462 -14.780 1.00 0.00 H new ATOM 726 N ALA A 48 9.910 -34.097 -15.808 1.00 0.00 N ATOM 727 CA ALA A 48 8.872 -33.568 -16.690 1.00 0.00 C ATOM 728 C ALA A 48 8.251 -34.649 -17.584 1.00 0.00 C ATOM 729 O ALA A 48 7.135 -34.467 -18.071 1.00 0.00 O ATOM 730 CB ALA A 48 9.482 -32.478 -17.577 1.00 0.00 C ATOM 0 H ALA A 48 10.849 -33.781 -16.049 1.00 0.00 H new ATOM 0 HA ALA A 48 8.078 -33.167 -16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.715 -32.076 -18.239 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.876 -31.678 -16.951 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.290 -32.903 -18.173 1.00 0.00 H new ATOM 736 N SER A 49 8.986 -35.739 -17.843 1.00 0.00 N ATOM 737 CA SER A 49 8.655 -36.773 -18.829 1.00 0.00 C ATOM 738 C SER A 49 8.527 -36.233 -20.270 1.00 0.00 C ATOM 739 O SER A 49 8.048 -36.945 -21.154 1.00 0.00 O ATOM 740 CB SER A 49 7.428 -37.582 -18.368 1.00 0.00 C ATOM 741 OG SER A 49 7.584 -38.030 -17.026 1.00 0.00 O ATOM 0 H SER A 49 9.860 -35.931 -17.353 1.00 0.00 H new ATOM 0 HA SER A 49 9.501 -37.458 -18.879 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.532 -36.966 -18.447 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.285 -38.439 -19.026 1.00 0.00 H new ATOM 0 HG SER A 49 6.791 -38.539 -16.757 1.00 0.00 H new ATOM 747 N VAL A 50 8.994 -35.005 -20.525 1.00 0.00 N ATOM 748 CA VAL A 50 9.126 -34.379 -21.839 1.00 0.00 C ATOM 749 C VAL A 50 10.412 -33.536 -21.825 1.00 0.00 C ATOM 750 O VAL A 50 11.012 -33.339 -20.764 1.00 0.00 O ATOM 751 CB VAL A 50 7.875 -33.536 -22.202 1.00 0.00 C ATOM 752 CG1 VAL A 50 6.626 -34.400 -22.429 1.00 0.00 C ATOM 753 CG2 VAL A 50 7.537 -32.459 -21.162 1.00 0.00 C ATOM 0 H VAL A 50 9.307 -34.389 -19.774 1.00 0.00 H new ATOM 0 HA VAL A 50 9.195 -35.142 -22.615 1.00 0.00 H new ATOM 0 HB VAL A 50 8.152 -33.043 -23.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.781 -33.759 -22.680 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.809 -35.096 -23.248 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.400 -34.959 -21.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.652 -31.909 -21.482 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.343 -32.931 -20.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.376 -31.770 -21.065 1.00 0.00 H new ATOM 763 N MET A 51 10.844 -33.043 -22.990 1.00 0.00 N ATOM 764 CA MET A 51 12.030 -32.195 -23.103 1.00 0.00 C ATOM 765 C MET A 51 11.808 -30.847 -22.401 1.00 0.00 C ATOM 766 O MET A 51 12.739 -30.302 -21.803 1.00 0.00 O ATOM 767 CB MET A 51 12.393 -31.959 -24.582 1.00 0.00 C ATOM 768 CG MET A 51 12.761 -33.239 -25.352 1.00 0.00 C ATOM 769 SD MET A 51 11.401 -34.362 -25.810 1.00 0.00 S ATOM 770 CE MET A 51 10.543 -33.365 -27.062 1.00 0.00 C ATOM 0 H MET A 51 10.380 -33.222 -23.880 1.00 0.00 H new ATOM 0 HA MET A 51 12.856 -32.712 -22.615 1.00 0.00 H new ATOM 0 HB2 MET A 51 11.550 -31.479 -25.079 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.231 -31.264 -24.633 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.278 -32.946 -26.266 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.474 -33.802 -24.749 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.784 -33.973 -27.554 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.068 -32.509 -26.583 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.262 -33.014 -27.802 1.00 0.00 H new ATOM 780 N SER A 52 10.588 -30.307 -22.476 1.00 0.00 N ATOM 781 CA SER A 52 10.195 -29.049 -21.850 1.00 0.00 C ATOM 782 C SER A 52 10.265 -29.148 -20.319 1.00 0.00 C ATOM 783 O SER A 52 10.148 -30.237 -19.756 1.00 0.00 O ATOM 784 CB SER A 52 8.766 -28.703 -22.301 1.00 0.00 C ATOM 785 OG SER A 52 8.618 -28.881 -23.704 1.00 0.00 O ATOM 0 H SER A 52 9.826 -30.749 -22.990 1.00 0.00 H new ATOM 0 HA SER A 52 10.884 -28.262 -22.158 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.051 -29.334 -21.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.537 -27.671 -22.035 1.00 0.00 H new ATOM 0 HG SER A 52 7.701 -28.657 -23.967 1.00 0.00 H new ATOM 791 N ALA A 53 10.369 -28.007 -19.629 1.00 0.00 N ATOM 792 CA ALA A 53 10.344 -27.911 -18.165 1.00 0.00 C ATOM 793 C ALA A 53 8.914 -28.066 -17.600 1.00 0.00 C ATOM 794 O ALA A 53 8.530 -27.361 -16.662 1.00 0.00 O ATOM 795 CB ALA A 53 10.995 -26.582 -17.751 1.00 0.00 C ATOM 0 H ALA A 53 10.476 -27.101 -20.085 1.00 0.00 H new ATOM 0 HA ALA A 53 10.915 -28.735 -17.738 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.985 -26.495 -16.665 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.025 -26.555 -18.107 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.438 -25.753 -18.187 1.00 0.00 H new ATOM 801 N LEU A 54 8.093 -28.927 -18.211 1.00 0.00 N ATOM 802 CA LEU A 54 6.692 -29.129 -17.866 1.00 0.00 C ATOM 803 C LEU A 54 6.583 -29.567 -16.406 1.00 0.00 C ATOM 804 O LEU A 54 7.115 -30.612 -16.025 1.00 0.00 O ATOM 805 CB LEU A 54 6.066 -30.171 -18.812 1.00 0.00 C ATOM 806 CG LEU A 54 4.597 -30.519 -18.495 1.00 0.00 C ATOM 807 CD1 LEU A 54 3.668 -29.303 -18.597 1.00 0.00 C ATOM 808 CD2 LEU A 54 4.113 -31.604 -19.463 1.00 0.00 C ATOM 0 H LEU A 54 8.400 -29.519 -18.983 1.00 0.00 H new ATOM 0 HA LEU A 54 6.144 -28.195 -17.984 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.126 -29.798 -19.834 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.660 -31.084 -18.771 1.00 0.00 H new ATOM 0 HG LEU A 54 4.562 -30.873 -17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.647 -29.605 -18.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.991 -28.538 -17.890 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.705 -28.900 -19.609 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.075 -31.852 -19.242 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.188 -31.238 -20.487 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.731 -32.495 -19.350 1.00 0.00 H new ATOM 820 N THR A 55 5.858 -28.783 -15.615 1.00 0.00 N ATOM 821 CA THR A 55 5.514 -29.062 -14.231 1.00 0.00 C ATOM 822 C THR A 55 4.102 -28.499 -14.048 1.00 0.00 C ATOM 823 O THR A 55 3.712 -27.556 -14.749 1.00 0.00 O ATOM 824 CB THR A 55 6.522 -28.383 -13.274 1.00 0.00 C ATOM 825 OG1 THR A 55 7.854 -28.420 -13.764 1.00 0.00 O ATOM 826 CG2 THR A 55 6.532 -29.023 -11.879 1.00 0.00 C ATOM 0 H THR A 55 5.478 -27.894 -15.940 1.00 0.00 H new ATOM 0 HA THR A 55 5.550 -30.127 -14.002 1.00 0.00 H new ATOM 0 HB THR A 55 6.179 -27.350 -13.210 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.450 -27.977 -13.124 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.257 -28.508 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.540 -28.941 -11.434 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.806 -30.075 -11.963 1.00 0.00 H new ATOM 834 N ASP A 56 3.324 -29.056 -13.119 1.00 0.00 N ATOM 835 CA ASP A 56 1.964 -28.578 -12.849 1.00 0.00 C ATOM 836 C ASP A 56 1.567 -28.726 -11.381 1.00 0.00 C ATOM 837 O ASP A 56 0.390 -28.830 -11.033 1.00 0.00 O ATOM 838 CB ASP A 56 0.959 -29.246 -13.800 1.00 0.00 C ATOM 839 CG ASP A 56 -0.367 -28.472 -13.845 1.00 0.00 C ATOM 840 OD1 ASP A 56 -0.313 -27.234 -14.033 1.00 0.00 O ATOM 841 OD2 ASP A 56 -1.450 -29.097 -13.780 1.00 0.00 O ATOM 0 H ASP A 56 3.613 -29.843 -12.537 1.00 0.00 H new ATOM 0 HA ASP A 56 1.947 -27.506 -13.046 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.385 -29.301 -14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.774 -30.270 -13.476 1.00 0.00 H new ATOM 846 N LYS A 57 2.568 -28.735 -10.503 1.00 0.00 N ATOM 847 CA LYS A 57 2.405 -28.773 -9.062 1.00 0.00 C ATOM 848 C LYS A 57 3.369 -27.779 -8.426 1.00 0.00 C ATOM 849 O LYS A 57 4.374 -27.410 -9.039 1.00 0.00 O ATOM 850 CB LYS A 57 2.565 -30.219 -8.558 1.00 0.00 C ATOM 851 CG LYS A 57 3.967 -30.663 -8.106 1.00 0.00 C ATOM 852 CD LYS A 57 3.884 -32.077 -7.508 1.00 0.00 C ATOM 853 CE LYS A 57 5.228 -32.507 -6.910 1.00 0.00 C ATOM 854 NZ LYS A 57 5.135 -33.811 -6.216 1.00 0.00 N ATOM 0 H LYS A 57 3.546 -28.715 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 57 1.402 -28.465 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.881 -30.361 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.240 -30.890 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.654 -30.653 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.361 -29.966 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.115 -32.103 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.584 -32.784 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.974 -32.571 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.572 -31.747 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.025 -34.000 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.350 -33.786 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.965 -34.564 -6.913 1.00 0.00 H new ATOM 868 N ALA A 58 3.080 -27.394 -7.191 1.00 0.00 N ATOM 869 CA ALA A 58 3.910 -26.527 -6.367 1.00 0.00 C ATOM 870 C ALA A 58 3.965 -27.089 -4.946 1.00 0.00 C ATOM 871 O ALA A 58 3.204 -27.995 -4.592 1.00 0.00 O ATOM 872 CB ALA A 58 3.340 -25.102 -6.391 1.00 0.00 C ATOM 0 H ALA A 58 2.227 -27.689 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 58 4.927 -26.488 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.960 -24.452 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.332 -24.731 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.323 -25.110 -6.000 1.00 0.00 H new ATOM 878 N ILE A 59 4.854 -26.550 -4.114 1.00 0.00 N ATOM 879 CA ILE A 59 5.041 -26.966 -2.731 1.00 0.00 C ATOM 880 C ILE A 59 5.161 -25.712 -1.883 1.00 0.00 C ATOM 881 O ILE A 59 5.735 -24.706 -2.301 1.00 0.00 O ATOM 882 CB ILE A 59 6.261 -27.916 -2.611 1.00 0.00 C ATOM 883 CG1 ILE A 59 5.838 -29.301 -3.127 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.817 -28.041 -1.177 1.00 0.00 C ATOM 885 CD1 ILE A 59 6.805 -30.468 -2.887 1.00 0.00 C ATOM 0 H ILE A 59 5.478 -25.793 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 59 4.190 -27.542 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 59 7.069 -27.490 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.883 -29.555 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.664 -29.222 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.668 -28.722 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.136 -27.060 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.040 -28.429 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.381 -31.383 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.758 -30.257 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.964 -30.594 -1.816 1.00 0.00 H new ATOM 897 N VAL A 60 4.614 -25.796 -0.678 1.00 0.00 N ATOM 898 CA VAL A 60 4.714 -24.739 0.314 1.00 0.00 C ATOM 899 C VAL A 60 6.095 -24.870 0.961 1.00 0.00 C ATOM 900 O VAL A 60 6.414 -25.913 1.542 1.00 0.00 O ATOM 901 CB VAL A 60 3.576 -24.868 1.341 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.583 -23.667 2.296 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.180 -24.964 0.701 1.00 0.00 C ATOM 0 H VAL A 60 4.084 -26.608 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 60 4.611 -23.751 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 60 3.765 -25.799 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.773 -23.771 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.536 -23.627 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.445 -22.748 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.426 -25.053 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.987 -24.067 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.136 -25.840 0.054 1.00 0.00 H new ATOM 913 N LYS A 61 6.909 -23.821 0.876 1.00 0.00 N ATOM 914 CA LYS A 61 8.283 -23.771 1.373 1.00 0.00 C ATOM 915 C LYS A 61 8.381 -22.630 2.384 1.00 0.00 C ATOM 916 O LYS A 61 7.531 -21.737 2.385 1.00 0.00 O ATOM 917 CB LYS A 61 9.242 -23.544 0.179 1.00 0.00 C ATOM 918 CG LYS A 61 10.447 -24.500 0.156 1.00 0.00 C ATOM 919 CD LYS A 61 10.095 -25.948 -0.237 1.00 0.00 C ATOM 920 CE LYS A 61 9.665 -26.121 -1.707 1.00 0.00 C ATOM 921 NZ LYS A 61 10.795 -26.025 -2.668 1.00 0.00 N ATOM 0 H LYS A 61 6.618 -22.946 0.441 1.00 0.00 H new ATOM 0 HA LYS A 61 8.561 -24.705 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.683 -23.658 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.606 -22.517 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.189 -24.115 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.912 -24.505 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.960 -26.584 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.291 -26.302 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.180 -27.090 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.923 -25.361 -1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.424 -25.997 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.338 -25.158 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.415 -26.853 -2.559 1.00 0.00 H new ATOM 935 N LYS A 62 9.431 -22.624 3.205 1.00 0.00 N ATOM 936 CA LYS A 62 9.746 -21.536 4.129 1.00 0.00 C ATOM 937 C LYS A 62 11.196 -21.159 3.885 1.00 0.00 C ATOM 938 O LYS A 62 12.052 -22.046 3.859 1.00 0.00 O ATOM 939 CB LYS A 62 9.516 -21.994 5.577 1.00 0.00 C ATOM 940 CG LYS A 62 9.822 -20.910 6.622 1.00 0.00 C ATOM 941 CD LYS A 62 9.469 -21.433 8.021 1.00 0.00 C ATOM 942 CE LYS A 62 9.740 -20.374 9.097 1.00 0.00 C ATOM 943 NZ LYS A 62 9.373 -20.870 10.446 1.00 0.00 N ATOM 0 H LYS A 62 10.100 -23.392 3.247 1.00 0.00 H new ATOM 0 HA LYS A 62 9.103 -20.671 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.479 -22.311 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.139 -22.866 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.876 -20.637 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.250 -20.008 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.418 -21.722 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.052 -22.329 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.795 -20.100 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.173 -19.471 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.174 -20.063 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.527 -21.471 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.160 -21.425 10.838 1.00 0.00 H new ATOM 957 N GLU A 63 11.473 -19.874 3.677 1.00 0.00 N ATOM 958 CA GLU A 63 12.770 -19.371 3.245 1.00 0.00 C ATOM 959 C GLU A 63 12.962 -17.962 3.812 1.00 0.00 C ATOM 960 O GLU A 63 12.002 -17.301 4.217 1.00 0.00 O ATOM 961 CB GLU A 63 12.857 -19.359 1.702 1.00 0.00 C ATOM 962 CG GLU A 63 12.875 -20.772 1.097 1.00 0.00 C ATOM 963 CD GLU A 63 13.154 -20.765 -0.412 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.184 -20.677 -1.197 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.331 -20.898 -0.818 1.00 0.00 O ATOM 0 H GLU A 63 10.781 -19.136 3.808 1.00 0.00 H new ATOM 0 HA GLU A 63 13.562 -20.022 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.008 -18.807 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.758 -18.826 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.635 -21.369 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.916 -21.255 1.283 1.00 0.00 H new ATOM 972 N LEU A 64 14.213 -17.509 3.875 1.00 0.00 N ATOM 973 CA LEU A 64 14.558 -16.160 4.307 1.00 0.00 C ATOM 974 C LEU A 64 14.066 -15.169 3.247 1.00 0.00 C ATOM 975 O LEU A 64 14.294 -15.384 2.053 1.00 0.00 O ATOM 976 CB LEU A 64 16.083 -16.089 4.492 1.00 0.00 C ATOM 977 CG LEU A 64 16.595 -14.803 5.167 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.235 -14.748 6.656 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.122 -14.754 5.041 1.00 0.00 C ATOM 0 H LEU A 64 15.023 -18.076 3.624 1.00 0.00 H new ATOM 0 HA LEU A 64 14.084 -15.906 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.403 -16.946 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.558 -16.183 3.515 1.00 0.00 H new ATOM 0 HG LEU A 64 16.122 -13.956 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.617 -13.823 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.151 -14.782 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.680 -15.600 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.497 -13.847 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.556 -15.626 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.400 -14.754 3.987 1.00 0.00 H new ATOM 991 N LEU A 65 13.411 -14.082 3.671 1.00 0.00 N ATOM 992 CA LEU A 65 12.730 -13.145 2.774 1.00 0.00 C ATOM 993 C LEU A 65 13.662 -12.613 1.695 1.00 0.00 C ATOM 994 O LEU A 65 13.242 -12.497 0.547 1.00 0.00 O ATOM 995 CB LEU A 65 12.099 -11.993 3.585 1.00 0.00 C ATOM 996 CG LEU A 65 11.312 -10.978 2.717 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.172 -10.345 3.527 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.178 -9.812 2.211 1.00 0.00 C ATOM 0 H LEU A 65 13.339 -13.827 4.656 1.00 0.00 H new ATOM 0 HA LEU A 65 11.934 -13.688 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.429 -12.413 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.887 -11.465 4.122 1.00 0.00 H new ATOM 0 HG LEU A 65 10.945 -11.555 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.631 -9.635 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.489 -11.125 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.585 -9.825 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.567 -9.139 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.589 -9.268 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.994 -10.202 1.602 1.00 0.00 H new ATOM 1010 N TYR A 66 14.910 -12.297 2.046 1.00 0.00 N ATOM 1011 CA TYR A 66 15.827 -11.598 1.151 1.00 0.00 C ATOM 1012 C TYR A 66 16.099 -12.398 -0.127 1.00 0.00 C ATOM 1013 O TYR A 66 16.331 -11.802 -1.178 1.00 0.00 O ATOM 1014 CB TYR A 66 17.141 -11.271 1.881 1.00 0.00 C ATOM 1015 CG TYR A 66 16.990 -10.779 3.315 1.00 0.00 C ATOM 1016 CD1 TYR A 66 16.036 -9.796 3.647 1.00 0.00 C ATOM 1017 CD2 TYR A 66 17.785 -11.344 4.328 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.843 -9.421 4.989 1.00 0.00 C ATOM 1019 CE2 TYR A 66 17.596 -10.977 5.672 1.00 0.00 C ATOM 1020 CZ TYR A 66 16.611 -10.024 6.012 1.00 0.00 C ATOM 1021 OH TYR A 66 16.429 -9.692 7.320 1.00 0.00 O ATOM 0 H TYR A 66 15.311 -12.519 2.957 1.00 0.00 H new ATOM 0 HA TYR A 66 15.350 -10.665 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.766 -12.164 1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.675 -10.512 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.451 -9.329 2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 66 18.547 -12.065 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.107 -8.671 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 66 18.204 -11.424 6.444 1.00 0.00 H new ATOM 0 HH TYR A 66 16.559 -8.727 7.434 1.00 0.00 H new ATOM 1031 N ASP A 67 16.048 -13.736 -0.060 1.00 0.00 N ATOM 1032 CA ASP A 67 16.204 -14.578 -1.243 1.00 0.00 C ATOM 1033 C ASP A 67 14.938 -14.530 -2.098 1.00 0.00 C ATOM 1034 O ASP A 67 15.019 -14.319 -3.309 1.00 0.00 O ATOM 1035 CB ASP A 67 16.503 -16.026 -0.846 1.00 0.00 C ATOM 1036 CG ASP A 67 16.668 -16.892 -2.105 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.766 -16.884 -2.706 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.709 -17.593 -2.497 1.00 0.00 O ATOM 0 H ASP A 67 15.899 -14.254 0.806 1.00 0.00 H new ATOM 0 HA ASP A 67 17.044 -14.194 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.411 -16.067 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.694 -16.417 -0.229 1.00 0.00 H new ATOM 1043 N VAL A 68 13.765 -14.660 -1.468 1.00 0.00 N ATOM 1044 CA VAL A 68 12.472 -14.672 -2.152 1.00 0.00 C ATOM 1045 C VAL A 68 12.247 -13.332 -2.869 1.00 0.00 C ATOM 1046 O VAL A 68 11.812 -13.314 -4.023 1.00 0.00 O ATOM 1047 CB VAL A 68 11.346 -14.998 -1.140 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.986 -15.135 -1.841 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.626 -16.313 -0.389 1.00 0.00 C ATOM 0 H VAL A 68 13.689 -14.761 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 68 12.460 -15.452 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 68 11.319 -14.167 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.218 -15.364 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.740 -14.199 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.035 -15.939 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.816 -16.511 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.695 -17.133 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.566 -16.227 0.157 1.00 0.00 H new ATOM 1059 N ALA A 69 12.587 -12.223 -2.207 1.00 0.00 N ATOM 1060 CA ALA A 69 12.461 -10.867 -2.720 1.00 0.00 C ATOM 1061 C ALA A 69 13.558 -10.495 -3.727 1.00 0.00 C ATOM 1062 O ALA A 69 13.500 -9.412 -4.312 1.00 0.00 O ATOM 1063 CB ALA A 69 12.495 -9.899 -1.537 1.00 0.00 C ATOM 0 H ALA A 69 12.972 -12.252 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 69 11.516 -10.802 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.402 -8.876 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.669 -10.121 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.439 -10.010 -1.003 1.00 0.00 H new ATOM 1069 N GLY A 70 14.561 -11.357 -3.928 1.00 0.00 N ATOM 1070 CA GLY A 70 15.713 -11.074 -4.777 1.00 0.00 C ATOM 1071 C GLY A 70 15.356 -10.936 -6.261 1.00 0.00 C ATOM 1072 O GLY A 70 16.204 -10.518 -7.051 1.00 0.00 O ATOM 0 H GLY A 70 14.591 -12.281 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.187 -10.153 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.446 -11.872 -4.660 1.00 0.00 H new ATOM 1076 N SER A 71 14.128 -11.288 -6.652 1.00 0.00 N ATOM 1077 CA SER A 71 13.638 -11.204 -8.015 1.00 0.00 C ATOM 1078 C SER A 71 13.653 -9.769 -8.547 1.00 0.00 C ATOM 1079 O SER A 71 14.100 -9.542 -9.673 1.00 0.00 O ATOM 1080 CB SER A 71 12.244 -11.829 -8.045 1.00 0.00 C ATOM 1081 OG SER A 71 11.449 -11.427 -6.932 1.00 0.00 O ATOM 0 H SER A 71 13.431 -11.650 -6.001 1.00 0.00 H new ATOM 0 HA SER A 71 14.299 -11.755 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.741 -11.546 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.335 -12.915 -8.051 1.00 0.00 H new ATOM 0 HG SER A 71 10.942 -10.622 -7.166 1.00 0.00 H new ATOM 1087 N ASP A 72 13.213 -8.804 -7.734 1.00 0.00 N ATOM 1088 CA ASP A 72 13.357 -7.379 -8.011 1.00 0.00 C ATOM 1089 C ASP A 72 13.239 -6.552 -6.735 1.00 0.00 C ATOM 1090 O ASP A 72 14.181 -5.847 -6.371 1.00 0.00 O ATOM 1091 CB ASP A 72 12.311 -6.912 -9.030 1.00 0.00 C ATOM 1092 CG ASP A 72 12.481 -5.418 -9.356 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.590 -5.004 -9.762 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.496 -4.657 -9.247 1.00 0.00 O ATOM 0 H ASP A 72 12.740 -8.998 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 72 14.352 -7.228 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.402 -7.499 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.310 -7.089 -8.636 1.00 0.00 H new ATOM 1099 N LYS A 73 12.105 -6.669 -6.040 1.00 0.00 N ATOM 1100 CA LYS A 73 11.801 -5.981 -4.781 1.00 0.00 C ATOM 1101 C LYS A 73 10.576 -6.639 -4.141 1.00 0.00 C ATOM 1102 O LYS A 73 10.069 -7.635 -4.655 1.00 0.00 O ATOM 1103 CB LYS A 73 11.611 -4.460 -5.004 1.00 0.00 C ATOM 1104 CG LYS A 73 10.354 -4.078 -5.806 1.00 0.00 C ATOM 1105 CD LYS A 73 10.288 -2.583 -6.154 1.00 0.00 C ATOM 1106 CE LYS A 73 10.162 -1.695 -4.906 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.049 -0.256 -5.252 1.00 0.00 N ATOM 0 H LYS A 73 11.342 -7.270 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 73 12.642 -6.079 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.569 -3.967 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.488 -4.070 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.328 -4.660 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.468 -4.350 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.184 -2.302 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.438 -2.403 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.286 -1.999 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.031 -1.846 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.966 0.305 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.896 0.042 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.206 -0.106 -5.842 1.00 0.00 H new ATOM 1121 N TYR A 74 10.069 -6.086 -3.042 1.00 0.00 N ATOM 1122 CA TYR A 74 8.895 -6.588 -2.339 1.00 0.00 C ATOM 1123 C TYR A 74 8.237 -5.443 -1.568 1.00 0.00 C ATOM 1124 O TYR A 74 8.844 -4.379 -1.411 1.00 0.00 O ATOM 1125 CB TYR A 74 9.320 -7.705 -1.375 1.00 0.00 C ATOM 1126 CG TYR A 74 10.097 -7.225 -0.152 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.437 -6.799 -0.269 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.456 -7.142 1.100 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.133 -6.308 0.849 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.143 -6.652 2.225 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.488 -6.233 2.106 1.00 0.00 C ATOM 1132 OH TYR A 74 12.149 -5.749 3.195 1.00 0.00 O ATOM 0 H TYR A 74 10.474 -5.257 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 74 8.177 -6.990 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.429 -8.235 -1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.932 -8.424 -1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.933 -6.851 -1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.428 -7.458 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.160 -5.988 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.643 -6.596 3.181 1.00 0.00 H new ATOM 0 HH TYR A 74 11.600 -5.067 3.634 1.00 0.00 H new ATOM 1142 N GLN A 75 7.017 -5.663 -1.071 1.00 0.00 N ATOM 1143 CA GLN A 75 6.348 -4.766 -0.134 1.00 0.00 C ATOM 1144 C GLN A 75 5.310 -5.542 0.682 1.00 0.00 C ATOM 1145 O GLN A 75 4.829 -6.592 0.251 1.00 0.00 O ATOM 1146 CB GLN A 75 5.747 -3.545 -0.866 1.00 0.00 C ATOM 1147 CG GLN A 75 4.758 -3.865 -2.002 1.00 0.00 C ATOM 1148 CD GLN A 75 4.453 -2.651 -2.888 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.560 -1.495 -2.478 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.082 -2.876 -4.137 1.00 0.00 N ATOM 0 H GLN A 75 6.461 -6.483 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 75 7.080 -4.367 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.238 -2.919 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.565 -2.953 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.168 -4.665 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.828 -4.238 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.993 -3.833 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.885 -2.092 -4.759 1.00 0.00 H new ATOM 1159 N VAL A 76 4.957 -5.033 1.864 1.00 0.00 N ATOM 1160 CA VAL A 76 3.826 -5.539 2.633 1.00 0.00 C ATOM 1161 C VAL A 76 2.575 -5.169 1.833 1.00 0.00 C ATOM 1162 O VAL A 76 2.476 -4.055 1.309 1.00 0.00 O ATOM 1163 CB VAL A 76 3.791 -4.923 4.050 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.831 -5.708 4.960 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.176 -4.888 4.718 1.00 0.00 C ATOM 0 H VAL A 76 5.448 -4.259 2.312 1.00 0.00 H new ATOM 0 HA VAL A 76 3.896 -6.617 2.778 1.00 0.00 H new ATOM 0 HB VAL A 76 3.445 -3.897 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.821 -5.258 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.826 -5.680 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.165 -6.743 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.090 -4.445 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.563 -5.903 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.857 -4.291 4.112 1.00 0.00 H new ATOM 1175 N ASN A 77 1.611 -6.082 1.753 1.00 0.00 N ATOM 1176 CA ASN A 77 0.309 -5.812 1.152 1.00 0.00 C ATOM 1177 C ASN A 77 -0.734 -6.656 1.875 1.00 0.00 C ATOM 1178 O ASN A 77 -1.201 -7.669 1.358 1.00 0.00 O ATOM 1179 CB ASN A 77 0.312 -6.041 -0.368 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.014 -5.632 -1.016 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.956 -5.184 -0.364 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.107 -5.741 -2.328 1.00 0.00 N ATOM 0 H ASN A 77 1.712 -7.034 2.105 1.00 0.00 H new ATOM 0 HA ASN A 77 0.060 -4.758 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.125 -5.472 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.507 -7.093 -0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.962 -5.453 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.324 -6.113 -2.866 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.029 -6.270 3.121 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.076 -6.876 3.944 1.00 0.00 C ATOM 1191 C ASN A 78 -3.434 -6.526 3.338 1.00 0.00 C ATOM 1192 O ASN A 78 -4.069 -5.551 3.750 1.00 0.00 O ATOM 1193 CB ASN A 78 -1.978 -6.411 5.408 1.00 0.00 C ATOM 1194 CG ASN A 78 -0.768 -6.982 6.130 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -0.482 -8.167 6.019 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.031 -6.177 6.874 1.00 0.00 N ATOM 0 H ASN A 78 -0.536 -5.512 3.593 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.950 -7.959 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.931 -5.322 5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.884 -6.705 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.786 -6.541 7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.279 -5.191 6.959 1.00 0.00 H new ATOM 1203 N LYS A 79 -3.848 -7.274 2.312 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.065 -6.978 1.559 1.00 0.00 C ATOM 1205 C LYS A 79 -6.248 -6.938 2.525 1.00 0.00 C ATOM 1206 O LYS A 79 -6.461 -7.899 3.265 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.297 -8.004 0.434 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.186 -7.967 -0.632 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.464 -8.870 -1.843 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.555 -8.299 -2.760 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.817 -9.179 -3.925 1.00 0.00 N ATOM 0 H LYS A 79 -3.349 -8.100 1.982 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.959 -6.006 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.351 -9.004 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.259 -7.808 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.059 -6.941 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.244 -8.268 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.545 -9.001 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.766 -9.858 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.475 -8.167 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.254 -7.312 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.300 -8.636 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.916 -9.545 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.419 -9.974 -3.631 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.993 -5.825 2.508 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.202 -5.599 3.291 1.00 0.00 C ATOM 1227 C HIS A 80 -8.032 -5.991 4.754 1.00 0.00 C ATOM 1228 O HIS A 80 -8.936 -6.563 5.357 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.414 -6.255 2.622 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.654 -5.814 1.198 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.699 -6.656 0.082 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.854 -4.525 0.790 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.924 -5.851 -0.973 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -10.022 -4.570 -0.575 1.00 0.00 N ATOM 0 H HIS A 80 -6.754 -5.026 1.920 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.393 -4.526 3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.281 -7.337 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.303 -6.035 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.876 -3.645 1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.013 -6.187 -1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.192 -3.768 -1.182 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.909 -5.601 5.359 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.671 -5.716 6.807 1.00 0.00 C ATOM 1244 C ASP A 81 -7.758 -5.045 7.667 1.00 0.00 C ATOM 1245 O ASP A 81 -7.840 -5.285 8.872 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.310 -5.082 7.119 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.861 -5.313 8.569 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.474 -6.462 8.884 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.819 -4.347 9.363 1.00 0.00 O ATOM 0 H ASP A 81 -6.125 -5.190 4.853 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.694 -6.776 7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.560 -5.492 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.361 -4.010 6.926 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.604 -4.214 7.052 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.691 -3.482 7.705 1.00 0.00 C ATOM 1256 C ASP A 82 -11.016 -4.251 7.625 1.00 0.00 C ATOM 1257 O ASP A 82 -11.950 -3.953 8.371 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.839 -2.108 7.036 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.931 -1.252 7.700 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -10.761 -0.850 8.874 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.939 -0.925 7.034 1.00 0.00 O ATOM 0 H ASP A 82 -8.548 -4.026 6.051 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.445 -3.362 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.887 -1.579 7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.077 -2.243 5.981 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.103 -5.260 6.745 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.336 -6.001 6.460 1.00 0.00 C ATOM 1268 C LYS A 83 -12.164 -7.505 6.687 1.00 0.00 C ATOM 1269 O LYS A 83 -13.165 -8.201 6.860 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.808 -5.748 5.013 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.725 -4.283 4.544 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.319 -4.062 3.144 1.00 0.00 C ATOM 1273 CE LYS A 83 -14.843 -4.265 3.118 1.00 0.00 C ATOM 1274 NZ LYS A 83 -15.427 -3.968 1.786 1.00 0.00 N ATOM 0 H LYS A 83 -10.303 -5.588 6.203 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.092 -5.635 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.210 -6.363 4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.841 -6.085 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.250 -3.649 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.682 -3.967 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.083 -3.053 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.851 -4.750 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.075 -5.294 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.306 -3.622 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.456 -4.119 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.229 -2.979 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.006 -4.598 1.074 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.926 -8.005 6.697 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.595 -9.425 6.740 1.00 0.00 C ATOM 1290 C TYR A 84 -9.386 -9.646 7.663 1.00 0.00 C ATOM 1291 O TYR A 84 -9.004 -8.751 8.419 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.377 -9.941 5.303 1.00 0.00 C ATOM 1293 CG TYR A 84 -11.646 -10.035 4.474 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -12.558 -11.084 4.703 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -11.918 -9.086 3.472 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -13.737 -11.179 3.943 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -13.094 -9.170 2.707 1.00 0.00 C ATOM 1298 CZ TYR A 84 -14.012 -10.220 2.940 1.00 0.00 C ATOM 1299 OH TYR A 84 -15.158 -10.323 2.209 1.00 0.00 O ATOM 0 H TYR A 84 -10.099 -7.408 6.674 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.416 -10.005 7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.673 -9.281 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.913 -10.926 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.350 -11.819 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.217 -8.285 3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -14.433 -11.984 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.296 -8.434 1.943 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.201 -9.588 1.562 1.00 0.00 H new ATOM 1309 N SER A 85 -8.797 -10.848 7.616 1.00 0.00 N ATOM 1310 CA SER A 85 -7.809 -11.335 8.580 1.00 0.00 C ATOM 1311 C SER A 85 -8.299 -11.205 10.032 1.00 0.00 C ATOM 1312 O SER A 85 -7.668 -10.523 10.844 1.00 0.00 O ATOM 1313 CB SER A 85 -6.440 -10.702 8.353 1.00 0.00 C ATOM 1314 OG SER A 85 -6.061 -10.769 6.983 1.00 0.00 O ATOM 0 H SER A 85 -9.003 -11.527 6.883 1.00 0.00 H new ATOM 0 HA SER A 85 -7.686 -12.404 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.460 -9.661 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.695 -11.212 8.964 1.00 0.00 H new ATOM 0 HG SER A 85 -6.378 -9.968 6.516 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.418 -11.862 10.394 1.00 0.00 N ATOM 1321 CA PRO A 86 -9.920 -11.856 11.766 1.00 0.00 C ATOM 1322 C PRO A 86 -9.038 -12.624 12.752 1.00 0.00 C ATOM 1323 O PRO A 86 -9.238 -12.556 13.967 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.307 -12.497 11.684 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.196 -13.448 10.493 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.261 -12.701 9.549 1.00 0.00 C ATOM 0 HA PRO A 86 -9.935 -10.836 12.150 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.556 -13.031 12.601 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.085 -11.750 11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.787 -14.415 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.167 -13.637 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.658 -13.397 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.825 -12.096 8.839 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.099 -13.399 12.220 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.317 -14.363 12.970 1.00 0.00 C ATOM 1336 C LEU A 87 -6.304 -13.653 13.875 1.00 0.00 C ATOM 1337 O LEU A 87 -5.612 -12.751 13.392 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.568 -15.259 11.977 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.461 -16.048 11.003 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.579 -17.016 10.207 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.561 -16.857 11.704 1.00 0.00 C ATOM 0 H LEU A 87 -7.858 -13.370 11.229 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.983 -14.956 13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.885 -14.639 11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.958 -15.966 12.539 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.956 -15.320 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.197 -17.583 9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.830 -16.452 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.081 -17.702 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.153 -17.388 10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.106 -17.576 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.207 -16.182 12.266 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.179 -14.044 15.159 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.061 -13.624 15.993 1.00 0.00 C ATOM 1355 C PRO A 88 -3.751 -14.009 15.297 1.00 0.00 C ATOM 1356 O PRO A 88 -3.685 -15.059 14.647 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.219 -14.363 17.327 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.700 -14.734 17.371 1.00 0.00 C ATOM 1359 CD PRO A 88 -7.068 -14.922 15.901 1.00 0.00 C ATOM 0 HA PRO A 88 -5.044 -12.547 16.158 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.584 -15.248 17.371 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.941 -13.730 18.169 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.868 -15.645 17.946 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.296 -13.949 17.836 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.939 -15.960 15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.112 -14.664 15.722 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.707 -13.189 15.446 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.472 -13.344 14.681 1.00 0.00 C ATOM 1369 C CYS A 89 -0.876 -14.744 14.830 1.00 0.00 C ATOM 1370 O CYS A 89 -0.428 -15.325 13.843 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.454 -12.273 15.094 1.00 0.00 C ATOM 1372 SG CYS A 89 -1.168 -10.611 14.904 1.00 0.00 S ATOM 0 H CYS A 89 -2.696 -12.404 16.097 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.718 -13.212 13.627 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.152 -12.430 16.130 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.444 -12.362 14.483 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.292 -9.719 15.261 1.00 0.00 H new ATOM 1378 N SER A 90 -0.928 -15.313 16.037 1.00 0.00 N ATOM 1379 CA SER A 90 -0.427 -16.646 16.343 1.00 0.00 C ATOM 1380 C SER A 90 -1.034 -17.712 15.433 1.00 0.00 C ATOM 1381 O SER A 90 -0.318 -18.556 14.900 1.00 0.00 O ATOM 1382 CB SER A 90 -0.718 -16.934 17.821 1.00 0.00 C ATOM 1383 OG SER A 90 -2.057 -16.582 18.144 1.00 0.00 O ATOM 0 H SER A 90 -1.332 -14.843 16.847 1.00 0.00 H new ATOM 0 HA SER A 90 0.647 -16.680 16.161 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.553 -17.991 18.031 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.027 -16.373 18.450 1.00 0.00 H new ATOM 0 HG SER A 90 -2.227 -16.774 19.090 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.347 -17.660 15.205 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.063 -18.624 14.372 1.00 0.00 C ATOM 1391 C LYS A 91 -2.579 -18.563 12.922 1.00 0.00 C ATOM 1392 O LYS A 91 -2.552 -19.592 12.251 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.581 -18.391 14.430 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.224 -18.299 15.827 1.00 0.00 C ATOM 1395 CD LYS A 91 -5.057 -19.527 16.737 1.00 0.00 C ATOM 1396 CE LYS A 91 -3.745 -19.508 17.539 1.00 0.00 C ATOM 1397 NZ LYS A 91 -3.696 -20.591 18.555 1.00 0.00 N ATOM 0 H LYS A 91 -2.950 -16.938 15.599 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.851 -19.617 14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.802 -17.468 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.068 -19.200 13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.805 -17.434 16.340 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.290 -18.109 15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.898 -19.577 17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.091 -20.431 16.128 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.902 -19.613 16.856 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.637 -18.543 18.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.795 -20.541 19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.485 -20.477 19.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.773 -21.514 18.082 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.168 -17.390 12.438 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.646 -17.234 11.083 1.00 0.00 C ATOM 1413 C ILE A 92 -0.318 -17.998 10.988 1.00 0.00 C ATOM 1414 O ILE A 92 -0.122 -18.773 10.051 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.493 -15.736 10.723 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.798 -14.941 10.983 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.047 -15.599 9.257 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.611 -13.425 10.904 1.00 0.00 C ATOM 0 H ILE A 92 -2.188 -16.523 12.975 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.343 -17.651 10.356 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.729 -15.307 11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.551 -15.245 10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.183 -15.201 11.969 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.940 -14.544 9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.091 -16.103 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.794 -16.053 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.563 -12.930 11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.881 -13.109 11.650 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.255 -13.154 9.910 1.00 0.00 H new ATOM 1430 N ILE A 93 0.567 -17.832 11.981 1.00 0.00 N ATOM 1431 CA ILE A 93 1.816 -18.586 12.063 1.00 0.00 C ATOM 1432 C ILE A 93 1.493 -20.080 12.120 1.00 0.00 C ATOM 1433 O ILE A 93 2.048 -20.859 11.354 1.00 0.00 O ATOM 1434 CB ILE A 93 2.657 -18.169 13.295 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.777 -16.652 13.531 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.056 -18.790 13.197 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.346 -15.844 12.362 1.00 0.00 C ATOM 0 H ILE A 93 0.433 -17.171 12.746 1.00 0.00 H new ATOM 0 HA ILE A 93 2.412 -18.368 11.177 1.00 0.00 H new ATOM 0 HB ILE A 93 2.110 -18.549 14.158 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.789 -16.261 13.773 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.408 -16.487 14.405 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.646 -18.496 14.065 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.971 -19.876 13.168 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.547 -18.440 12.289 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.387 -14.789 12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.350 -16.198 12.130 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.706 -15.968 11.488 1.00 0.00 H new ATOM 1449 N GLN A 94 0.571 -20.479 12.999 1.00 0.00 N ATOM 1450 CA GLN A 94 0.180 -21.870 13.191 1.00 0.00 C ATOM 1451 C GLN A 94 -0.277 -22.493 11.874 1.00 0.00 C ATOM 1452 O GLN A 94 0.128 -23.611 11.559 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.939 -21.966 14.243 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.450 -21.851 15.693 1.00 0.00 C ATOM 1455 CD GLN A 94 0.520 -22.968 16.089 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.611 -22.715 16.594 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.166 -24.223 15.856 1.00 0.00 N ATOM 0 H GLN A 94 0.069 -19.831 13.606 1.00 0.00 H new ATOM 0 HA GLN A 94 1.048 -22.424 13.547 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.669 -21.179 14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.457 -22.917 14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.040 -20.887 15.830 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.310 -21.870 16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.741 -24.428 15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.800 -24.985 16.096 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.075 -21.768 11.083 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.486 -22.241 9.765 1.00 0.00 C ATOM 1468 C ARG A 95 -0.247 -22.456 8.904 1.00 0.00 C ATOM 1469 O ARG A 95 -0.035 -23.561 8.417 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.452 -21.245 9.097 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.916 -21.351 9.547 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.569 -22.642 9.023 1.00 0.00 C ATOM 1473 NE ARG A 95 -6.039 -22.539 8.959 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.748 -21.970 7.972 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.143 -21.365 6.950 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -8.073 -21.997 8.004 1.00 0.00 N ATOM 0 H ARG A 95 -1.447 -20.852 11.336 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.018 -23.186 9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.100 -20.233 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.409 -21.391 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.967 -21.331 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.473 -20.486 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.179 -22.867 8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.293 -23.475 9.670 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.565 -22.937 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.124 -21.329 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.699 -20.938 6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.555 -22.451 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.610 -21.564 7.253 1.00 0.00 H new ATOM 1490 N ALA A 96 0.588 -21.431 8.744 1.00 0.00 N ATOM 1491 CA ALA A 96 1.778 -21.512 7.906 1.00 0.00 C ATOM 1492 C ALA A 96 2.675 -22.696 8.287 1.00 0.00 C ATOM 1493 O ALA A 96 3.173 -23.408 7.416 1.00 0.00 O ATOM 1494 CB ALA A 96 2.542 -20.189 7.990 1.00 0.00 C ATOM 0 H ALA A 96 0.457 -20.524 9.191 1.00 0.00 H new ATOM 0 HA ALA A 96 1.464 -21.686 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.433 -20.243 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.903 -19.377 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.834 -20.003 9.023 1.00 0.00 H new ATOM 1500 N GLU A 97 2.846 -22.936 9.584 1.00 0.00 N ATOM 1501 CA GLU A 97 3.736 -23.956 10.121 1.00 0.00 C ATOM 1502 C GLU A 97 3.167 -25.367 9.942 1.00 0.00 C ATOM 1503 O GLU A 97 3.934 -26.328 9.877 1.00 0.00 O ATOM 1504 CB GLU A 97 3.996 -23.672 11.610 1.00 0.00 C ATOM 1505 CG GLU A 97 4.867 -22.427 11.847 1.00 0.00 C ATOM 1506 CD GLU A 97 6.337 -22.634 11.445 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.039 -23.459 12.073 1.00 0.00 O ATOM 1508 OE2 GLU A 97 6.820 -21.934 10.527 1.00 0.00 O ATOM 0 H GLU A 97 2.355 -22.411 10.308 1.00 0.00 H new ATOM 0 HA GLU A 97 4.673 -23.915 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.042 -23.542 12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.482 -24.538 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.456 -21.591 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.820 -22.153 12.901 1.00 0.00 H new ATOM 1515 N GLU A 98 1.845 -25.516 9.832 1.00 0.00 N ATOM 1516 CA GLU A 98 1.206 -26.790 9.540 1.00 0.00 C ATOM 1517 C GLU A 98 1.253 -27.082 8.036 1.00 0.00 C ATOM 1518 O GLU A 98 1.170 -28.241 7.626 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.258 -26.743 10.009 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.422 -26.919 11.526 1.00 0.00 C ATOM 1521 CD GLU A 98 -0.112 -28.355 11.988 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -0.998 -29.235 11.893 1.00 0.00 O ATOM 1523 OE2 GLU A 98 1.011 -28.619 12.474 1.00 0.00 O ATOM 0 H GLU A 98 1.187 -24.745 9.945 1.00 0.00 H new ATOM 0 HA GLU A 98 1.739 -27.582 10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.696 -25.790 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.820 -27.525 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.239 -26.223 12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.442 -26.661 11.811 1.00 0.00 H new ATOM 1530 N LEU A 99 1.389 -26.039 7.213 1.00 0.00 N ATOM 1531 CA LEU A 99 1.187 -26.124 5.774 1.00 0.00 C ATOM 1532 C LEU A 99 2.500 -26.127 5.002 1.00 0.00 C ATOM 1533 O LEU A 99 2.515 -26.641 3.888 1.00 0.00 O ATOM 1534 CB LEU A 99 0.242 -24.993 5.335 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.167 -25.126 5.961 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.969 -23.838 5.761 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.961 -26.302 5.378 1.00 0.00 C ATOM 0 H LEU A 99 1.645 -25.106 7.535 1.00 0.00 H new ATOM 0 HA LEU A 99 0.721 -27.080 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.673 -24.033 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.156 -24.996 4.248 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.015 -25.313 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.957 -23.951 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.448 -23.007 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.074 -23.637 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.941 -26.350 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.083 -26.162 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.423 -27.232 5.563 1.00 0.00 H new ATOM 1549 N VAL A 100 3.603 -25.614 5.557 1.00 0.00 N ATOM 1550 CA VAL A 100 4.924 -25.808 4.964 1.00 0.00 C ATOM 1551 C VAL A 100 5.220 -27.314 4.879 1.00 0.00 C ATOM 1552 O VAL A 100 4.828 -28.086 5.761 1.00 0.00 O ATOM 1553 CB VAL A 100 5.989 -24.988 5.728 1.00 0.00 C ATOM 1554 CG1 VAL A 100 6.128 -25.368 7.208 1.00 0.00 C ATOM 1555 CG2 VAL A 100 7.363 -25.087 5.049 1.00 0.00 C ATOM 0 H VAL A 100 3.604 -25.062 6.415 1.00 0.00 H new ATOM 0 HA VAL A 100 4.952 -25.426 3.944 1.00 0.00 H new ATOM 0 HB VAL A 100 5.627 -23.960 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.895 -24.748 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.176 -25.209 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.412 -26.417 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.089 -24.500 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.682 -26.129 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.294 -24.703 4.031 1.00 0.00 H new ATOM 1565 N GLY A 101 5.916 -27.736 3.819 1.00 0.00 N ATOM 1566 CA GLY A 101 6.230 -29.141 3.602 1.00 0.00 C ATOM 1567 C GLY A 101 4.984 -29.933 3.203 1.00 0.00 C ATOM 1568 O GLY A 101 4.848 -31.097 3.584 1.00 0.00 O ATOM 0 H GLY A 101 6.273 -27.113 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.986 -29.231 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.658 -29.565 4.511 1.00 0.00 H new ATOM 1572 N GLN A 102 4.077 -29.309 2.446 1.00 0.00 N ATOM 1573 CA GLN A 102 2.950 -29.946 1.794 1.00 0.00 C ATOM 1574 C GLN A 102 2.938 -29.460 0.355 1.00 0.00 C ATOM 1575 O GLN A 102 3.530 -28.431 0.011 1.00 0.00 O ATOM 1576 CB GLN A 102 1.608 -29.626 2.478 1.00 0.00 C ATOM 1577 CG GLN A 102 1.477 -30.348 3.821 1.00 0.00 C ATOM 1578 CD GLN A 102 0.052 -30.283 4.384 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.902 -30.726 3.749 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.147 -29.759 5.583 1.00 0.00 N ATOM 0 H GLN A 102 4.118 -28.305 2.269 1.00 0.00 H new ATOM 0 HA GLN A 102 3.064 -31.028 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.524 -28.550 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.786 -29.919 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.769 -31.391 3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.168 -29.905 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.641 -29.390 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.088 -29.725 5.975 1.00 0.00 H new ATOM 1589 N GLU A 103 2.249 -30.223 -0.478 1.00 0.00 N ATOM 1590 CA GLU A 103 2.265 -30.082 -1.920 1.00 0.00 C ATOM 1591 C GLU A 103 0.851 -29.860 -2.439 1.00 0.00 C ATOM 1592 O GLU A 103 -0.125 -30.323 -1.841 1.00 0.00 O ATOM 1593 CB GLU A 103 2.946 -31.316 -2.535 1.00 0.00 C ATOM 1594 CG GLU A 103 2.225 -32.644 -2.273 1.00 0.00 C ATOM 1595 CD GLU A 103 2.993 -33.840 -2.869 1.00 0.00 C ATOM 1596 OE1 GLU A 103 3.374 -33.799 -4.061 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.206 -34.841 -2.147 1.00 0.00 O ATOM 0 H GLU A 103 1.646 -30.980 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 103 2.842 -29.206 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.028 -31.169 -3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.961 -31.386 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.106 -32.787 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.224 -32.605 -2.702 1.00 0.00 H new ATOM 1604 N VAL A 104 0.752 -29.148 -3.558 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.500 -28.767 -4.176 1.00 0.00 C ATOM 1606 C VAL A 104 -0.376 -28.980 -5.678 1.00 0.00 C ATOM 1607 O VAL A 104 0.672 -28.722 -6.271 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.833 -27.307 -3.832 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.355 -27.165 -2.394 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.335 -26.330 -4.035 1.00 0.00 C ATOM 0 H VAL A 104 1.569 -28.814 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.318 -29.380 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.614 -27.035 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.579 -26.118 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.261 -27.760 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.596 -27.517 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.016 -25.322 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.171 -26.625 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.648 -26.349 -5.079 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.452 -29.445 -6.306 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.423 -29.917 -7.689 1.00 0.00 C ATOM 1622 C LEU A 105 -1.949 -28.839 -8.631 1.00 0.00 C ATOM 1623 O LEU A 105 -2.868 -29.035 -9.431 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.192 -31.226 -7.837 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.708 -32.404 -6.969 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.534 -33.652 -7.299 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -0.218 -32.714 -7.160 1.00 0.00 C ATOM 0 H LEU A 105 -2.372 -29.506 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.388 -30.121 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.239 -31.036 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.150 -31.531 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.845 -32.113 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.193 -34.486 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.586 -33.457 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.411 -33.902 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.064 -33.552 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.031 -32.971 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.373 -31.839 -6.890 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.352 -27.674 -8.474 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.477 -26.534 -9.362 1.00 0.00 C ATOM 1641 C TYR A 106 -0.100 -25.901 -9.527 1.00 0.00 C ATOM 1642 O TYR A 106 0.752 -25.985 -8.639 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.530 -25.535 -8.851 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.372 -25.016 -7.426 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.299 -24.171 -7.074 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.349 -25.333 -6.460 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.200 -23.658 -5.768 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.269 -24.803 -5.160 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.192 -23.958 -4.809 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.097 -23.431 -3.555 1.00 0.00 O ATOM 0 H TYR A 106 -0.735 -27.487 -7.683 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.834 -26.859 -10.339 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.534 -24.677 -9.523 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.509 -26.007 -8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.551 -23.917 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.166 -25.989 -6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.362 -23.032 -5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.029 -25.041 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.858 -23.732 -3.015 1.00 0.00 H new ATOM 1660 N LYS A 107 0.128 -25.279 -10.682 1.00 0.00 N ATOM 1661 CA LYS A 107 1.372 -24.617 -11.014 1.00 0.00 C ATOM 1662 C LYS A 107 1.579 -23.342 -10.198 1.00 0.00 C ATOM 1663 O LYS A 107 0.622 -22.764 -9.674 1.00 0.00 O ATOM 1664 CB LYS A 107 1.292 -24.237 -12.502 1.00 0.00 C ATOM 1665 CG LYS A 107 2.647 -24.456 -13.166 1.00 0.00 C ATOM 1666 CD LYS A 107 2.738 -23.976 -14.623 1.00 0.00 C ATOM 1667 CE LYS A 107 1.652 -24.481 -15.590 1.00 0.00 C ATOM 1668 NZ LYS A 107 1.546 -25.960 -15.654 1.00 0.00 N ATOM 0 H LYS A 107 -0.568 -25.224 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 107 2.204 -25.286 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.532 -24.839 -13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.991 -23.194 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.409 -23.942 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.884 -25.519 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.713 -22.886 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.709 -24.273 -15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.689 -24.070 -15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.862 -24.098 -16.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.438 -26.258 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.406 -26.387 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.719 -26.273 -15.107 1.00 0.00 H new ATOM 1682 N LEU A 108 2.816 -22.844 -10.185 1.00 0.00 N ATOM 1683 CA LEU A 108 3.118 -21.514 -9.680 1.00 0.00 C ATOM 1684 C LEU A 108 2.451 -20.511 -10.618 1.00 0.00 C ATOM 1685 O LEU A 108 2.788 -20.458 -11.804 1.00 0.00 O ATOM 1686 CB LEU A 108 4.638 -21.221 -9.661 1.00 0.00 C ATOM 1687 CG LEU A 108 5.505 -21.920 -8.600 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.953 -21.713 -7.187 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.702 -23.412 -8.886 1.00 0.00 C ATOM 0 H LEU A 108 3.632 -23.354 -10.524 1.00 0.00 H new ATOM 0 HA LEU A 108 2.754 -21.440 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.038 -21.481 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.767 -20.146 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 108 6.485 -21.447 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.594 -22.222 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.927 -20.647 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.944 -22.122 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.321 -23.853 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.733 -23.910 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.192 -23.536 -9.852 1.00 0.00 H new ATOM 1701 N THR A 109 1.540 -19.702 -10.087 1.00 0.00 N ATOM 1702 CA THR A 109 0.992 -18.529 -10.750 1.00 0.00 C ATOM 1703 C THR A 109 0.865 -17.455 -9.673 1.00 0.00 C ATOM 1704 O THR A 109 0.710 -17.775 -8.486 1.00 0.00 O ATOM 1705 CB THR A 109 -0.367 -18.812 -11.426 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.349 -19.148 -10.469 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.313 -19.932 -12.470 1.00 0.00 C ATOM 0 H THR A 109 1.153 -19.851 -9.155 1.00 0.00 H new ATOM 0 HA THR A 109 1.648 -18.209 -11.559 1.00 0.00 H new ATOM 0 HB THR A 109 -0.626 -17.885 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.126 -18.560 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.303 -20.075 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.391 -19.662 -13.257 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.012 -20.857 -11.994 1.00 0.00 H new ATOM 1715 N SER A 110 0.895 -16.185 -10.075 1.00 0.00 N ATOM 1716 CA SER A 110 0.682 -15.065 -9.173 1.00 0.00 C ATOM 1717 C SER A 110 -0.650 -15.224 -8.428 1.00 0.00 C ATOM 1718 O SER A 110 -0.712 -14.983 -7.224 1.00 0.00 O ATOM 1719 CB SER A 110 0.719 -13.773 -9.998 1.00 0.00 C ATOM 1720 OG SER A 110 1.852 -13.749 -10.845 1.00 0.00 O ATOM 0 H SER A 110 1.069 -15.908 -11.041 1.00 0.00 H new ATOM 0 HA SER A 110 1.466 -15.030 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.189 -13.692 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.740 -12.911 -9.331 1.00 0.00 H new ATOM 0 HG SER A 110 2.635 -13.450 -10.336 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.695 -15.686 -9.126 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.025 -15.873 -8.563 1.00 0.00 C ATOM 1728 C GLU A 111 -3.042 -17.021 -7.551 1.00 0.00 C ATOM 1729 O GLU A 111 -3.649 -16.879 -6.490 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.014 -16.118 -9.714 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.468 -16.193 -9.231 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.447 -16.324 -10.410 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.753 -17.461 -10.835 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -6.941 -15.290 -10.917 1.00 0.00 O ATOM 0 H GLU A 111 -1.633 -15.942 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.322 -14.976 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.919 -15.317 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.754 -17.047 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.587 -17.045 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.708 -15.299 -8.655 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.370 -18.144 -7.830 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.368 -19.279 -6.907 1.00 0.00 C ATOM 1743 C ASN A 112 -1.630 -18.914 -5.624 1.00 0.00 C ATOM 1744 O ASN A 112 -2.073 -19.289 -4.537 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.730 -20.524 -7.545 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.666 -21.264 -8.500 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.889 -21.212 -8.376 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.128 -21.979 -9.474 1.00 0.00 N ATOM 0 H ASN A 112 -1.826 -18.288 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.405 -19.517 -6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.832 -20.226 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.415 -21.206 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.727 -22.488 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.114 -22.021 -9.576 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.527 -18.168 -5.733 1.00 0.00 N ATOM 1756 CA CYS A 113 0.219 -17.741 -4.558 1.00 0.00 C ATOM 1757 C CYS A 113 -0.599 -16.721 -3.764 1.00 0.00 C ATOM 1758 O CYS A 113 -0.691 -16.850 -2.544 1.00 0.00 O ATOM 1759 CB CYS A 113 1.581 -17.171 -4.960 1.00 0.00 C ATOM 1760 SG CYS A 113 2.474 -18.405 -5.955 1.00 0.00 S ATOM 0 H CYS A 113 -0.137 -17.851 -6.621 1.00 0.00 H new ATOM 0 HA CYS A 113 0.401 -18.606 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.450 -16.252 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.158 -16.915 -4.072 1.00 0.00 H new ATOM 0 HG CYS A 113 1.982 -18.431 -7.158 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.222 -15.750 -4.445 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.083 -14.742 -3.828 1.00 0.00 C ATOM 1768 C GLU A 114 -3.207 -15.424 -3.049 1.00 0.00 C ATOM 1769 O GLU A 114 -3.455 -15.086 -1.889 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.659 -13.821 -4.920 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.488 -12.654 -4.365 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.841 -11.628 -5.456 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -4.264 -12.008 -6.570 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -3.683 -10.407 -5.220 1.00 0.00 O ATOM 0 H GLU A 114 -1.138 -15.644 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.500 -14.139 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.839 -13.422 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.283 -14.412 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.405 -13.040 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.931 -12.160 -3.569 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.856 -16.409 -3.677 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.936 -17.174 -3.085 1.00 0.00 C ATOM 1783 C HIS A 115 -4.439 -17.848 -1.812 1.00 0.00 C ATOM 1784 O HIS A 115 -5.039 -17.661 -0.756 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.472 -18.195 -4.102 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.474 -19.146 -3.493 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.858 -18.955 -3.441 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.154 -20.273 -2.790 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.332 -19.962 -2.684 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.331 -20.756 -2.269 1.00 0.00 N ATOM 0 H HIS A 115 -3.634 -16.696 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.761 -16.513 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.937 -17.665 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.639 -18.765 -4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.170 -20.700 -2.668 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.374 -20.111 -2.443 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.428 -21.576 -1.670 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.333 -18.596 -1.884 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.862 -19.366 -0.746 1.00 0.00 C ATOM 1800 C PHE A 116 -2.526 -18.471 0.438 1.00 0.00 C ATOM 1801 O PHE A 116 -2.990 -18.740 1.544 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.648 -20.202 -1.162 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.870 -20.791 0.005 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.199 -22.059 0.521 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.199 -20.066 0.570 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.466 -22.590 1.597 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.918 -20.585 1.657 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.585 -21.851 2.170 1.00 0.00 C ATOM 0 H PHE A 116 -2.754 -18.679 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.663 -20.031 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.983 -21.014 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.977 -19.580 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.013 -22.623 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.467 -19.102 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.711 -23.568 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.723 -20.015 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.137 -22.257 3.005 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.742 -17.411 0.239 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.346 -16.583 1.377 1.00 0.00 C ATOM 1820 C VAL A 117 -2.579 -15.931 2.019 1.00 0.00 C ATOM 1821 O VAL A 117 -2.644 -15.814 3.244 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.235 -15.580 1.016 1.00 0.00 C ATOM 1823 CG1 VAL A 117 1.021 -16.291 0.490 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.664 -14.491 0.023 1.00 0.00 C ATOM 0 H VAL A 117 -1.379 -17.113 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.899 -17.230 2.132 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.007 -15.076 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.783 -15.551 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.404 -16.967 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.769 -16.861 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.178 -13.828 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.988 -14.955 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.487 -13.915 0.447 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.594 -15.576 1.219 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.849 -15.057 1.751 1.00 0.00 C ATOM 1836 C ASN A 118 -5.580 -16.139 2.535 1.00 0.00 C ATOM 1837 O ASN A 118 -6.111 -15.852 3.601 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.736 -14.453 0.650 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.312 -13.020 0.352 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.889 -12.068 0.863 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.266 -12.823 -0.434 1.00 0.00 N ATOM 0 H ASN A 118 -3.565 -15.641 0.202 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.611 -14.243 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.664 -15.056 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.780 -14.472 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.937 -11.875 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.789 -13.619 -0.857 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.554 -17.389 2.078 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.078 -18.539 2.800 1.00 0.00 C ATOM 1850 C GLU A 119 -5.441 -18.681 4.186 1.00 0.00 C ATOM 1851 O GLU A 119 -6.132 -19.054 5.132 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.872 -19.813 1.954 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.091 -20.726 2.027 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.873 -22.058 1.285 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.249 -22.982 1.856 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.353 -22.201 0.137 1.00 0.00 O ATOM 0 H GLU A 119 -5.157 -17.633 1.171 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.145 -18.389 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.682 -19.537 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.991 -20.349 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.327 -20.930 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.952 -20.212 1.600 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.152 -18.362 4.342 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.484 -18.423 5.637 1.00 0.00 C ATOM 1865 C LEU A 120 -3.880 -17.236 6.511 1.00 0.00 C ATOM 1866 O LEU A 120 -4.160 -17.431 7.693 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.953 -18.483 5.485 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.389 -19.899 5.285 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -1.988 -20.664 4.107 1.00 0.00 C ATOM 1870 CD2 LEU A 120 0.126 -19.816 5.087 1.00 0.00 C ATOM 0 H LEU A 120 -3.550 -18.057 3.577 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.810 -19.342 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.660 -17.865 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.495 -18.045 6.371 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.659 -20.453 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.530 -21.651 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.063 -20.771 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.799 -20.117 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.530 -20.818 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.345 -19.208 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.583 -19.362 5.966 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.888 -16.009 5.970 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.105 -14.816 6.792 1.00 0.00 C ATOM 1884 C ARG A 121 -5.580 -14.622 7.138 1.00 0.00 C ATOM 1885 O ARG A 121 -5.906 -14.302 8.279 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.524 -13.569 6.102 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.124 -12.542 7.169 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.652 -11.216 6.579 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.224 -10.290 7.640 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.821 -9.156 8.015 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.025 -8.826 7.572 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.221 -8.323 8.851 1.00 0.00 N ATOM 0 H ARG A 121 -3.748 -15.820 4.977 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.576 -14.964 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.657 -13.842 5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.260 -13.138 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.975 -12.358 7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.330 -12.960 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.825 -11.394 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.457 -10.764 6.000 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.375 -10.543 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.519 -9.444 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.458 -7.954 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.294 -8.545 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.685 -7.459 9.131 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.472 -14.811 6.165 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.915 -14.722 6.382 1.00 0.00 C ATOM 1908 C TYR A 122 -8.435 -15.968 7.100 1.00 0.00 C ATOM 1909 O TYR A 122 -9.317 -15.857 7.951 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.690 -14.603 5.056 1.00 0.00 C ATOM 1911 CG TYR A 122 -8.578 -13.346 4.205 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.594 -12.354 4.408 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -9.515 -13.184 3.164 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.560 -11.213 3.586 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -9.488 -12.048 2.339 1.00 0.00 C ATOM 1916 CZ TYR A 122 -8.508 -11.051 2.547 1.00 0.00 C ATOM 1917 OH TYR A 122 -8.481 -9.939 1.757 1.00 0.00 O ATOM 0 H TYR A 122 -6.213 -15.030 5.203 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.076 -13.829 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.388 -15.443 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.746 -14.742 5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.865 -12.472 5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.264 -13.944 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.807 -10.456 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -10.214 -11.936 1.548 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.860 -9.283 2.137 1.00 0.00 H new ATOM 1927 N GLY A 123 -7.937 -17.149 6.725 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.471 -18.444 7.136 1.00 0.00 C ATOM 1929 C GLY A 123 -8.997 -19.197 5.914 1.00 0.00 C ATOM 1930 O GLY A 123 -8.784 -20.405 5.804 1.00 0.00 O ATOM 0 H GLY A 123 -7.128 -17.230 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.694 -19.029 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.272 -18.304 7.861 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.607 -18.481 4.968 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.007 -18.922 3.647 1.00 0.00 C ATOM 1936 C VAL A 124 -9.981 -17.657 2.780 1.00 0.00 C ATOM 1937 O VAL A 124 -10.535 -16.634 3.194 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.419 -19.552 3.669 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -11.349 -21.079 3.809 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.383 -18.998 4.736 1.00 0.00 C ATOM 0 H VAL A 124 -9.849 -17.503 5.126 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.343 -19.695 3.261 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.837 -19.266 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -12.359 -21.490 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.797 -21.497 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.841 -21.336 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.342 -19.510 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.961 -19.162 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.529 -17.930 4.575 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.308 -17.690 1.621 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.335 -16.567 0.690 1.00 0.00 C ATOM 1952 C ALA A 125 -10.769 -16.320 0.213 1.00 0.00 C ATOM 1953 O ALA A 125 -11.148 -15.143 0.046 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.412 -16.837 -0.497 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.504 -17.301 -0.040 1.00 0.00 O ATOM 0 H ALA A 125 -8.743 -18.481 1.312 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.978 -15.674 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.443 -15.990 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.392 -16.977 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.741 -17.737 -1.017 1.00 0.00 H new TER 1961 ALA A 125