USER MOD reduce.3.24.130724 H: found=0, std=0, add=1137, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1140 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 96 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 97 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HE2 : A 73 HIS NE2 : A 98 ZNZN :(H bumps) USER MOD Set 1.1: A 57 LYS NZ :NH3+ 169:sc= 2.92 (180deg=0.802) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.0226! C(o=5!,f=-3.2!) USER MOD Set 1.3: B 134 ASN : amide:sc= 2.07 K(o=5,f=-7.3!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.0692 K(o=-0.037,f=-1.1) USER MOD Set 2.2: A 42 THR OG1 : rot -160:sc= 0.00328 USER MOD Set 2.3: B 110 MET CE :methyl -167:sc= -0.11 (180deg=-0.0262) USER MOD Set 3.1: A 66 SER OG : rot 85:sc= 0.00333 USER MOD Set 3.2: B 123 CYS SG : rot 82:sc= 0.322 USER MOD Set 4.1: A 54 GLN : amide:sc= 0.935 K(o=1.8,f=0) USER MOD Set 4.2: B 137 GLN : amide:sc= 0.821 K(o=1.8,f=-0.12) USER MOD Set 5.1: A 48 ASN : amide:sc= 0.454 K(o=0.68,f=-0.86) USER MOD Set 5.2: A 52 HIS : no HD1:sc= 0.222 K(o=0.68,f=-3!) USER MOD Set 6.1: A 50 MET CE :methyl -179:sc= -0.162 (180deg=-0.184) USER MOD Set 6.2: A 67 SER OG : rot -73:sc= 1.23 USER MOD Set 7.1: A 21 LYS NZ :NH3+ 166:sc= 1.57 (180deg=1.05) USER MOD Set 7.2: B 103 CYS SG : rot -70:sc= 0.303 USER MOD Set 8.1: A 12 GLN : amide:sc= 0.0922 K(o=0.35,f=1.7) USER MOD Set 8.2: A 43 MET CE :methyl -171:sc= -0.386 (180deg=-0.114) USER MOD Set 8.3: A 63 HIS : no HE2:sc= 0.641 K(o=0.35,f=-4.7!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0947 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0.984 (180deg=0.744) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 GLN : amide:sc= 1.07 K(o=1.1,f=-4.4!) USER MOD Single : A 20 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 23 GLN : amide:sc=-0.00739 K(o=-0.0074,f=-1.5!) USER MOD Single : A 27 GLN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 36 SER OG : rot 69:sc= 0.29 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 2.15 (180deg=1.91) USER MOD Single : A 45 ASN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 51 THR OG1 : rot 40:sc= 0.877 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 73:sc= 1.06 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.906 (180deg=0.891) USER MOD Single : A 76 ASN : amide:sc= 0.741 K(o=0.74,f=-0.81) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=-0.071) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 92 SER OG : rot 81:sc= 0.708 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 SER OG : rot 38:sc= 0.111 USER MOD Single : B 108 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.067) USER MOD Single : B 109 SER OG : rot 140:sc= -0.0344 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot -71:sc= 1.36 USER MOD Single : B 120 SER OG : rot 180:sc= 0.00566 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.8 K(o=1.8,f=-4.1!) USER MOD Single : B 130 GLN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 147 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : B 149 ASN : amide:sc= 0.778 K(o=0.78,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.442 -12.430 15.929 1.00 0.00 N ATOM 2 CA ALA A 1 4.976 -11.070 15.555 1.00 0.00 C ATOM 3 C ALA A 1 5.162 -10.088 16.722 1.00 0.00 C ATOM 4 O ALA A 1 5.405 -10.497 17.859 1.00 0.00 O ATOM 5 CB ALA A 1 3.526 -11.104 15.039 1.00 0.00 C ATOM 0 H1 ALA A 1 6.282 -12.676 15.368 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.684 -12.448 16.940 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.687 -13.120 15.741 1.00 0.00 H new ATOM 0 HA ALA A 1 5.593 -10.707 14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.211 -10.095 14.773 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.467 -11.746 14.160 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.872 -11.495 15.818 1.00 0.00 H new ATOM 13 N ASP A 2 5.077 -8.785 16.448 1.00 0.00 N ATOM 14 CA ASP A 2 5.289 -7.685 17.398 1.00 0.00 C ATOM 15 C ASP A 2 4.279 -6.540 17.151 1.00 0.00 C ATOM 16 O ASP A 2 4.307 -5.943 16.069 1.00 0.00 O ATOM 17 CB ASP A 2 6.740 -7.204 17.218 1.00 0.00 C ATOM 18 CG ASP A 2 7.156 -6.009 18.091 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.405 -5.604 19.006 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.269 -5.486 17.846 1.00 0.00 O ATOM 0 H ASP A 2 4.847 -8.449 15.513 1.00 0.00 H new ATOM 0 HA ASP A 2 5.128 -8.022 18.422 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.409 -8.037 17.431 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.888 -6.936 16.172 1.00 0.00 H new ATOM 25 N PRO A 3 3.391 -6.203 18.115 1.00 0.00 N ATOM 26 CA PRO A 3 2.422 -5.108 17.996 1.00 0.00 C ATOM 27 C PRO A 3 3.010 -3.797 17.455 1.00 0.00 C ATOM 28 O PRO A 3 2.389 -3.148 16.618 1.00 0.00 O ATOM 29 CB PRO A 3 1.823 -4.926 19.393 1.00 0.00 C ATOM 30 CG PRO A 3 1.923 -6.325 19.990 1.00 0.00 C ATOM 31 CD PRO A 3 3.240 -6.845 19.415 1.00 0.00 C ATOM 0 HA PRO A 3 1.668 -5.370 17.254 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.380 -4.195 19.980 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.791 -4.579 19.348 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.939 -6.300 21.080 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.079 -6.951 19.698 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.076 -6.600 20.071 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.221 -7.930 19.315 1.00 0.00 H new ATOM 39 N GLU A 4 4.210 -3.404 17.893 1.00 0.00 N ATOM 40 CA GLU A 4 4.907 -2.195 17.422 1.00 0.00 C ATOM 41 C GLU A 4 5.158 -2.247 15.907 1.00 0.00 C ATOM 42 O GLU A 4 4.819 -1.304 15.194 1.00 0.00 O ATOM 43 CB GLU A 4 6.219 -2.001 18.191 1.00 0.00 C ATOM 44 CG GLU A 4 5.974 -1.623 19.660 1.00 0.00 C ATOM 45 CD GLU A 4 5.962 -0.099 19.870 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.050 0.510 20.016 1.00 0.00 O ATOM 47 OE2 GLU A 4 4.859 0.496 19.910 1.00 0.00 O ATOM 0 H GLU A 4 4.736 -3.923 18.596 1.00 0.00 H new ATOM 0 HA GLU A 4 4.264 -1.337 17.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.805 -2.919 18.146 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.810 -1.222 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.022 -2.041 19.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.750 -2.068 20.283 1.00 0.00 H new ATOM 54 N LYS A 5 5.692 -3.361 15.389 1.00 0.00 N ATOM 55 CA LYS A 5 5.901 -3.584 13.946 1.00 0.00 C ATOM 56 C LYS A 5 4.583 -3.545 13.174 1.00 0.00 C ATOM 57 O LYS A 5 4.561 -3.057 12.045 1.00 0.00 O ATOM 58 CB LYS A 5 6.676 -4.882 13.671 1.00 0.00 C ATOM 59 CG LYS A 5 8.094 -4.810 14.254 1.00 0.00 C ATOM 60 CD LYS A 5 8.913 -6.063 13.917 1.00 0.00 C ATOM 61 CE LYS A 5 10.299 -6.005 14.574 1.00 0.00 C ATOM 62 NZ LYS A 5 10.255 -6.319 16.029 1.00 0.00 N ATOM 0 H LYS A 5 5.996 -4.145 15.966 1.00 0.00 H new ATOM 0 HA LYS A 5 6.517 -2.761 13.584 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.143 -5.727 14.106 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.729 -5.057 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.603 -3.928 13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.037 -4.694 15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.382 -6.952 14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.022 -6.151 12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.964 -6.709 14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.723 -5.011 14.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.102 -5.934 16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.405 -5.892 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.226 -7.350 16.161 1.00 0.00 H new ATOM 76 N ARG A 6 3.468 -3.979 13.776 1.00 0.00 N ATOM 77 CA ARG A 6 2.132 -3.868 13.159 1.00 0.00 C ATOM 78 C ARG A 6 1.759 -2.396 12.943 1.00 0.00 C ATOM 79 O ARG A 6 1.245 -2.080 11.876 1.00 0.00 O ATOM 80 CB ARG A 6 1.065 -4.679 13.912 1.00 0.00 C ATOM 81 CG ARG A 6 1.261 -6.180 13.652 1.00 0.00 C ATOM 82 CD ARG A 6 0.216 -7.029 14.380 1.00 0.00 C ATOM 83 NE ARG A 6 0.241 -8.420 13.888 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.115 -9.524 14.516 1.00 0.00 C ATOM 85 NH1 ARG A 6 -0.538 -9.532 15.749 1.00 0.00 N ATOM 86 NH2 ARG A 6 -0.051 -10.661 13.889 1.00 0.00 N ATOM 0 H ARG A 6 3.462 -4.415 14.698 1.00 0.00 H new ATOM 0 HA ARG A 6 2.173 -4.328 12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.130 -4.476 14.981 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.070 -4.373 13.589 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.203 -6.373 12.581 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.259 -6.477 13.976 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.410 -7.014 15.452 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.776 -6.602 14.230 1.00 0.00 H new ATOM 0 HE ARG A 6 0.579 -8.545 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.605 -8.658 16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.802 -10.412 16.192 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.272 -10.693 12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.324 -11.521 14.364 1.00 0.00 H new ATOM 100 N LYS A 7 2.087 -1.484 13.872 1.00 0.00 N ATOM 101 CA LYS A 7 1.904 -0.020 13.708 1.00 0.00 C ATOM 102 C LYS A 7 2.668 0.488 12.475 1.00 0.00 C ATOM 103 O LYS A 7 2.100 1.190 11.637 1.00 0.00 O ATOM 104 CB LYS A 7 2.349 0.772 14.952 1.00 0.00 C ATOM 105 CG LYS A 7 1.744 0.281 16.276 1.00 0.00 C ATOM 106 CD LYS A 7 2.330 1.061 17.451 1.00 0.00 C ATOM 107 CE LYS A 7 1.618 0.667 18.750 1.00 0.00 C ATOM 108 NZ LYS A 7 2.225 1.350 19.920 1.00 0.00 N ATOM 0 H LYS A 7 2.493 -1.739 14.773 1.00 0.00 H new ATOM 0 HA LYS A 7 0.835 0.146 13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.436 0.726 15.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.083 1.820 14.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.661 0.402 16.255 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.944 -0.783 16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.398 0.858 17.536 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.221 2.132 17.278 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.561 0.925 18.682 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.674 -0.413 18.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.724 1.066 20.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.227 1.083 19.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.149 2.380 19.799 1.00 0.00 H new ATOM 122 N LEU A 8 3.945 0.101 12.352 1.00 0.00 N ATOM 123 CA LEU A 8 4.822 0.428 11.216 1.00 0.00 C ATOM 124 C LEU A 8 4.181 -0.033 9.890 1.00 0.00 C ATOM 125 O LEU A 8 4.064 0.744 8.941 1.00 0.00 O ATOM 126 CB LEU A 8 6.221 -0.205 11.397 1.00 0.00 C ATOM 127 CG LEU A 8 6.960 0.069 12.721 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.332 -0.608 12.701 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.147 1.555 13.017 1.00 0.00 C ATOM 0 H LEU A 8 4.412 -0.465 13.061 1.00 0.00 H new ATOM 0 HA LEU A 8 4.946 1.510 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.119 -1.285 11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.855 0.141 10.580 1.00 0.00 H new ATOM 0 HG LEU A 8 6.332 -0.342 13.511 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.849 -0.410 13.640 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.205 -1.683 12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.920 -0.213 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.674 1.674 13.964 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.728 2.015 12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.172 2.039 13.081 1.00 0.00 H new ATOM 141 N ILE A 9 3.753 -1.300 9.839 1.00 0.00 N ATOM 142 CA ILE A 9 3.073 -1.948 8.706 1.00 0.00 C ATOM 143 C ILE A 9 1.769 -1.215 8.355 1.00 0.00 C ATOM 144 O ILE A 9 1.592 -0.856 7.195 1.00 0.00 O ATOM 145 CB ILE A 9 2.887 -3.458 8.986 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.270 -4.149 8.911 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.921 -4.125 7.991 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.304 -5.541 9.544 1.00 0.00 C ATOM 0 H ILE A 9 3.877 -1.936 10.627 1.00 0.00 H new ATOM 0 HA ILE A 9 3.698 -1.876 7.816 1.00 0.00 H new ATOM 0 HB ILE A 9 2.450 -3.567 9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.569 -4.229 7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.008 -3.518 9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.825 -5.184 8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.943 -3.648 8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.309 -4.016 6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.307 -5.959 9.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.038 -5.468 10.598 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.592 -6.190 9.034 1.00 0.00 H new ATOM 160 N GLN A 10 0.873 -0.956 9.318 1.00 0.00 N ATOM 161 CA GLN A 10 -0.376 -0.198 9.141 1.00 0.00 C ATOM 162 C GLN A 10 -0.112 1.128 8.413 1.00 0.00 C ATOM 163 O GLN A 10 -0.756 1.409 7.400 1.00 0.00 O ATOM 164 CB GLN A 10 -1.054 0.066 10.497 1.00 0.00 C ATOM 165 CG GLN A 10 -1.800 -1.155 11.046 1.00 0.00 C ATOM 166 CD GLN A 10 -2.325 -0.909 12.458 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.681 -1.204 13.457 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.515 -0.364 12.601 1.00 0.00 N ATOM 0 H GLN A 10 1.002 -1.280 10.277 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.048 -0.801 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.299 0.378 11.219 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.754 0.894 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.632 -1.400 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.133 -2.017 11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.063 -0.113 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.889 -0.193 13.535 1.00 0.00 H new ATOM 177 N GLN A 11 0.853 1.918 8.904 1.00 0.00 N ATOM 178 CA GLN A 11 1.263 3.171 8.272 1.00 0.00 C ATOM 179 C GLN A 11 1.701 2.917 6.819 1.00 0.00 C ATOM 180 O GLN A 11 1.110 3.482 5.904 1.00 0.00 O ATOM 181 CB GLN A 11 2.353 3.874 9.104 1.00 0.00 C ATOM 182 CG GLN A 11 2.620 5.282 8.549 1.00 0.00 C ATOM 183 CD GLN A 11 3.716 6.024 9.299 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.468 6.729 10.265 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.958 5.897 8.883 1.00 0.00 N ATOM 0 H GLN A 11 1.371 1.701 9.755 1.00 0.00 H new ATOM 0 HA GLN A 11 0.410 3.849 8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.040 3.939 10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.271 3.287 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.897 5.205 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.700 5.864 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.168 5.309 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.711 6.387 9.367 1.00 0.00 H new ATOM 194 N GLN A 12 2.703 2.059 6.591 1.00 0.00 N ATOM 195 CA GLN A 12 3.207 1.691 5.256 1.00 0.00 C ATOM 196 C GLN A 12 2.089 1.272 4.280 1.00 0.00 C ATOM 197 O GLN A 12 2.069 1.754 3.149 1.00 0.00 O ATOM 198 CB GLN A 12 4.277 0.592 5.385 1.00 0.00 C ATOM 199 CG GLN A 12 5.623 1.105 5.928 1.00 0.00 C ATOM 200 CD GLN A 12 6.525 1.647 4.823 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.455 1.003 4.353 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.307 2.861 4.371 1.00 0.00 N ATOM 0 H GLN A 12 3.200 1.588 7.347 1.00 0.00 H new ATOM 0 HA GLN A 12 3.658 2.584 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.904 -0.192 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.438 0.137 4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.441 1.889 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.135 0.295 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.538 3.415 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.907 3.249 3.643 1.00 0.00 H new ATOM 211 N LEU A 13 1.155 0.414 4.705 1.00 0.00 N ATOM 212 CA LEU A 13 -0.001 -0.069 3.948 1.00 0.00 C ATOM 213 C LEU A 13 -0.836 1.123 3.448 1.00 0.00 C ATOM 214 O LEU A 13 -1.017 1.296 2.243 1.00 0.00 O ATOM 215 CB LEU A 13 -0.772 -1.079 4.834 1.00 0.00 C ATOM 216 CG LEU A 13 -1.555 -2.160 4.069 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.009 -3.287 4.997 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.754 -1.603 3.324 1.00 0.00 C ATOM 0 H LEU A 13 1.190 0.015 5.643 1.00 0.00 H new ATOM 0 HA LEU A 13 0.295 -0.604 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.062 -1.570 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.469 -0.526 5.464 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.860 -2.560 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.559 -4.032 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.137 -3.753 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.655 -2.880 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.267 -2.412 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.438 -1.136 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.419 -0.860 2.600 1.00 0.00 H new ATOM 230 N VAL A 14 -1.305 1.974 4.365 1.00 0.00 N ATOM 231 CA VAL A 14 -2.094 3.177 4.056 1.00 0.00 C ATOM 232 C VAL A 14 -1.313 4.186 3.200 1.00 0.00 C ATOM 233 O VAL A 14 -1.861 4.675 2.214 1.00 0.00 O ATOM 234 CB VAL A 14 -2.658 3.801 5.343 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.432 5.092 5.064 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.641 2.828 6.013 1.00 0.00 C ATOM 0 H VAL A 14 -1.145 1.846 5.364 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.942 2.871 3.443 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.803 4.016 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.812 5.498 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.769 5.820 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.266 4.879 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.035 3.279 6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.462 2.613 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.123 1.901 6.261 1.00 0.00 H new ATOM 246 N LEU A 15 -0.051 4.499 3.525 1.00 0.00 N ATOM 247 CA LEU A 15 0.787 5.416 2.734 1.00 0.00 C ATOM 248 C LEU A 15 0.963 4.929 1.287 1.00 0.00 C ATOM 249 O LEU A 15 0.850 5.720 0.351 1.00 0.00 O ATOM 250 CB LEU A 15 2.179 5.616 3.358 1.00 0.00 C ATOM 251 CG LEU A 15 2.283 6.345 4.702 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.772 6.528 5.009 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.613 7.713 4.682 1.00 0.00 C ATOM 0 H LEU A 15 0.421 4.123 4.347 1.00 0.00 H new ATOM 0 HA LEU A 15 0.257 6.369 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.632 4.632 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.789 6.161 2.638 1.00 0.00 H new ATOM 0 HG LEU A 15 1.773 5.750 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.886 7.045 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.254 5.552 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.237 7.117 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.718 8.184 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.086 8.339 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.555 7.597 4.447 1.00 0.00 H new ATOM 265 N LEU A 16 1.247 3.639 1.090 1.00 0.00 N ATOM 266 CA LEU A 16 1.411 3.019 -0.227 1.00 0.00 C ATOM 267 C LEU A 16 0.138 3.163 -1.077 1.00 0.00 C ATOM 268 O LEU A 16 0.202 3.513 -2.256 1.00 0.00 O ATOM 269 CB LEU A 16 1.816 1.553 -0.031 1.00 0.00 C ATOM 270 CG LEU A 16 2.041 0.791 -1.344 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.171 1.405 -2.165 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.445 -0.638 -1.009 1.00 0.00 C ATOM 0 H LEU A 16 1.372 2.982 1.860 1.00 0.00 H new ATOM 0 HA LEU A 16 2.199 3.531 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.730 1.515 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.042 1.046 0.544 1.00 0.00 H new ATOM 0 HG LEU A 16 1.118 0.834 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.300 0.838 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.925 2.439 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.096 1.377 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.609 -1.195 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.364 -0.628 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.652 -1.115 -0.433 1.00 0.00 H new ATOM 284 N LEU A 17 -1.026 2.913 -0.473 1.00 0.00 N ATOM 285 CA LEU A 17 -2.330 3.091 -1.112 1.00 0.00 C ATOM 286 C LEU A 17 -2.556 4.574 -1.457 1.00 0.00 C ATOM 287 O LEU A 17 -2.925 4.893 -2.590 1.00 0.00 O ATOM 288 CB LEU A 17 -3.426 2.531 -0.194 1.00 0.00 C ATOM 289 CG LEU A 17 -3.344 1.001 -0.036 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.150 0.589 1.187 1.00 0.00 C ATOM 291 CD2 LEU A 17 -3.905 0.256 -1.245 1.00 0.00 C ATOM 0 H LEU A 17 -1.089 2.576 0.488 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.366 2.538 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.346 2.998 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.403 2.799 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.290 0.741 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.099 -0.493 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.740 1.074 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.189 0.891 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.822 -0.818 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.953 0.523 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.341 0.531 -2.136 1.00 0.00 H new ATOM 303 N HIS A 18 -2.295 5.480 -0.501 1.00 0.00 N ATOM 304 CA HIS A 18 -2.373 6.931 -0.689 1.00 0.00 C ATOM 305 C HIS A 18 -1.528 7.370 -1.891 1.00 0.00 C ATOM 306 O HIS A 18 -2.048 8.075 -2.745 1.00 0.00 O ATOM 307 CB HIS A 18 -1.976 7.709 0.579 1.00 0.00 C ATOM 308 CG HIS A 18 -2.134 9.209 0.415 1.00 0.00 C ATOM 309 ND1 HIS A 18 -3.173 9.986 0.879 1.00 0.00 N ATOM 310 CD2 HIS A 18 -1.298 10.032 -0.294 1.00 0.00 C ATOM 311 CE1 HIS A 18 -2.960 11.249 0.454 1.00 0.00 C ATOM 312 NE2 HIS A 18 -1.832 11.329 -0.280 1.00 0.00 N ATOM 0 H HIS A 18 -2.018 5.214 0.444 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.416 7.172 -0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.589 7.372 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.940 7.482 0.831 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -3.961 9.665 1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.382 9.732 -0.781 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.608 12.085 0.673 1.00 0.00 H new ATOM 320 N ALA A 19 -0.259 6.955 -1.991 1.00 0.00 N ATOM 321 CA ALA A 19 0.650 7.285 -3.093 1.00 0.00 C ATOM 322 C ALA A 19 -0.029 7.177 -4.471 1.00 0.00 C ATOM 323 O ALA A 19 -0.062 8.148 -5.228 1.00 0.00 O ATOM 324 CB ALA A 19 1.900 6.405 -2.994 1.00 0.00 C ATOM 0 H ALA A 19 0.176 6.362 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 19 0.944 8.330 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.580 6.646 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.398 6.587 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.612 5.356 -3.059 1.00 0.00 H new ATOM 330 N HIS A 20 -0.606 6.010 -4.789 1.00 0.00 N ATOM 331 CA HIS A 20 -1.349 5.791 -6.037 1.00 0.00 C ATOM 332 C HIS A 20 -2.624 6.649 -6.117 1.00 0.00 C ATOM 333 O HIS A 20 -2.821 7.332 -7.122 1.00 0.00 O ATOM 334 CB HIS A 20 -1.627 4.294 -6.227 1.00 0.00 C ATOM 335 CG HIS A 20 -2.449 4.019 -7.466 1.00 0.00 C ATOM 336 ND1 HIS A 20 -1.965 3.967 -8.762 1.00 0.00 N ATOM 337 CD2 HIS A 20 -3.812 3.908 -7.515 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.024 3.824 -9.587 1.00 0.00 C ATOM 339 NE2 HIS A 20 -4.156 3.790 -8.852 1.00 0.00 N ATOM 0 H HIS A 20 -0.570 5.189 -4.185 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.727 6.123 -6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.681 3.756 -6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.152 3.910 -5.352 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.489 3.912 -6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.974 3.749 -10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.103 3.694 -9.218 1.00 0.00 H new ATOM 348 N LYS A 21 -3.472 6.645 -5.077 1.00 0.00 N ATOM 349 CA LYS A 21 -4.714 7.449 -4.966 1.00 0.00 C ATOM 350 C LYS A 21 -4.453 8.928 -5.306 1.00 0.00 C ATOM 351 O LYS A 21 -5.138 9.506 -6.149 1.00 0.00 O ATOM 352 CB LYS A 21 -5.298 7.272 -3.549 1.00 0.00 C ATOM 353 CG LYS A 21 -6.652 7.974 -3.329 1.00 0.00 C ATOM 354 CD LYS A 21 -7.011 8.093 -1.836 1.00 0.00 C ATOM 355 CE LYS A 21 -7.282 6.732 -1.184 1.00 0.00 C ATOM 356 NZ LYS A 21 -7.535 6.862 0.276 1.00 0.00 N ATOM 0 H LYS A 21 -3.312 6.062 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.446 7.095 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.417 6.207 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.581 7.655 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.620 8.969 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.435 7.419 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.196 8.588 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.892 8.726 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.143 6.264 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.429 6.073 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.942 5.976 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.640 7.057 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.200 7.643 0.445 1.00 0.00 H new ATOM 370 N CYS A 22 -3.448 9.513 -4.661 1.00 0.00 N ATOM 371 CA CYS A 22 -2.944 10.870 -4.807 1.00 0.00 C ATOM 372 C CYS A 22 -2.462 11.127 -6.245 1.00 0.00 C ATOM 373 O CYS A 22 -2.976 12.025 -6.913 1.00 0.00 O ATOM 374 CB CYS A 22 -1.858 11.051 -3.735 1.00 0.00 C ATOM 375 SG CYS A 22 -1.301 12.766 -3.541 1.00 0.00 S ATOM 0 H CYS A 22 -2.918 8.998 -3.958 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.721 11.618 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.240 10.693 -2.779 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.001 10.427 -3.990 1.00 0.00 H new ATOM 380 N GLN A 23 -1.528 10.310 -6.753 1.00 0.00 N ATOM 381 CA GLN A 23 -1.020 10.397 -8.129 1.00 0.00 C ATOM 382 C GLN A 23 -2.169 10.392 -9.159 1.00 0.00 C ATOM 383 O GLN A 23 -2.188 11.214 -10.077 1.00 0.00 O ATOM 384 CB GLN A 23 -0.007 9.263 -8.388 1.00 0.00 C ATOM 385 CG GLN A 23 0.967 9.564 -9.538 1.00 0.00 C ATOM 386 CD GLN A 23 2.144 10.436 -9.098 1.00 0.00 C ATOM 387 OE1 GLN A 23 1.994 11.572 -8.667 1.00 0.00 O ATOM 388 NE2 GLN A 23 3.364 9.947 -9.183 1.00 0.00 N ATOM 0 H GLN A 23 -1.098 9.560 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.503 11.349 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.563 9.081 -7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.550 8.345 -8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.346 8.626 -9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.429 10.065 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.511 9.003 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.162 10.513 -8.892 1.00 0.00 H new ATOM 397 N ARG A 24 -3.145 9.485 -9.008 1.00 0.00 N ATOM 398 CA ARG A 24 -4.357 9.374 -9.840 1.00 0.00 C ATOM 399 C ARG A 24 -5.179 10.668 -9.787 1.00 0.00 C ATOM 400 O ARG A 24 -5.421 11.274 -10.831 1.00 0.00 O ATOM 401 CB ARG A 24 -5.165 8.142 -9.392 1.00 0.00 C ATOM 402 CG ARG A 24 -6.445 7.930 -10.218 1.00 0.00 C ATOM 403 CD ARG A 24 -7.216 6.701 -9.725 1.00 0.00 C ATOM 404 NE ARG A 24 -7.816 6.909 -8.390 1.00 0.00 N ATOM 405 CZ ARG A 24 -8.275 5.972 -7.579 1.00 0.00 C ATOM 406 NH1 ARG A 24 -8.201 4.708 -7.864 1.00 0.00 N ATOM 407 NH2 ARG A 24 -8.827 6.284 -6.446 1.00 0.00 N ATOM 0 H ARG A 24 -3.112 8.778 -8.273 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.077 9.235 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.537 7.254 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.432 8.252 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.079 8.814 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.188 7.805 -11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.002 6.458 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.543 5.844 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.882 7.873 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.776 4.407 -8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.567 4.016 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.911 7.263 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.177 5.550 -5.830 1.00 0.00 H new ATOM 421 N ARG A 25 -5.591 11.096 -8.585 1.00 0.00 N ATOM 422 CA ARG A 25 -6.358 12.329 -8.313 1.00 0.00 C ATOM 423 C ARG A 25 -5.709 13.552 -8.958 1.00 0.00 C ATOM 424 O ARG A 25 -6.368 14.285 -9.691 1.00 0.00 O ATOM 425 CB ARG A 25 -6.550 12.490 -6.789 1.00 0.00 C ATOM 426 CG ARG A 25 -7.219 13.815 -6.355 1.00 0.00 C ATOM 427 CD ARG A 25 -6.238 14.838 -5.751 1.00 0.00 C ATOM 428 NE ARG A 25 -5.732 14.380 -4.441 1.00 0.00 N ATOM 429 CZ ARG A 25 -4.474 14.174 -4.086 1.00 0.00 C ATOM 430 NH1 ARG A 25 -3.449 14.580 -4.764 1.00 0.00 N ATOM 431 NH2 ARG A 25 -4.191 13.513 -3.005 1.00 0.00 N ATOM 0 H ARG A 25 -5.391 10.570 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.344 12.244 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.152 11.659 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.576 12.415 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.710 14.263 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.997 13.596 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.402 14.992 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.737 15.800 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.436 14.201 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.584 15.095 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.506 14.385 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.942 13.147 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.218 13.360 -2.741 1.00 0.00 H new ATOM 445 N GLU A 26 -4.427 13.767 -8.683 1.00 0.00 N ATOM 446 CA GLU A 26 -3.635 14.890 -9.191 1.00 0.00 C ATOM 447 C GLU A 26 -3.596 14.941 -10.729 1.00 0.00 C ATOM 448 O GLU A 26 -3.848 15.994 -11.317 1.00 0.00 O ATOM 449 CB GLU A 26 -2.225 14.846 -8.574 1.00 0.00 C ATOM 450 CG GLU A 26 -1.592 16.238 -8.456 1.00 0.00 C ATOM 451 CD GLU A 26 -2.355 17.180 -7.495 1.00 0.00 C ATOM 452 OE1 GLU A 26 -3.125 16.700 -6.625 1.00 0.00 O ATOM 453 OE2 GLU A 26 -2.184 18.418 -7.611 1.00 0.00 O ATOM 0 H GLU A 26 -3.889 13.145 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.122 15.816 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.279 14.390 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.584 14.210 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.564 16.133 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.551 16.695 -9.445 1.00 0.00 H new ATOM 460 N GLN A 27 -3.310 13.807 -11.384 1.00 0.00 N ATOM 461 CA GLN A 27 -3.300 13.681 -12.849 1.00 0.00 C ATOM 462 C GLN A 27 -4.688 13.947 -13.458 1.00 0.00 C ATOM 463 O GLN A 27 -4.795 14.686 -14.439 1.00 0.00 O ATOM 464 CB GLN A 27 -2.806 12.289 -13.264 1.00 0.00 C ATOM 465 CG GLN A 27 -1.289 12.125 -13.086 1.00 0.00 C ATOM 466 CD GLN A 27 -0.858 10.686 -13.357 1.00 0.00 C ATOM 467 OE1 GLN A 27 -0.211 10.368 -14.348 1.00 0.00 O ATOM 468 NE2 GLN A 27 -1.204 9.764 -12.484 1.00 0.00 N ATOM 0 H GLN A 27 -3.076 12.938 -10.904 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.616 14.437 -13.234 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.322 11.533 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.067 12.110 -14.307 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.765 12.799 -13.764 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.006 12.408 -12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.742 10.021 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.934 8.792 -12.635 1.00 0.00 H new ATOM 477 N ALA A 28 -5.745 13.345 -12.895 1.00 0.00 N ATOM 478 CA ALA A 28 -7.133 13.498 -13.336 1.00 0.00 C ATOM 479 C ALA A 28 -7.607 14.962 -13.211 1.00 0.00 C ATOM 480 O ALA A 28 -7.783 15.647 -14.222 1.00 0.00 O ATOM 481 CB ALA A 28 -8.014 12.517 -12.547 1.00 0.00 C ATOM 0 H ALA A 28 -5.651 12.719 -12.095 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.213 13.255 -14.396 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.051 12.621 -12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.678 11.497 -12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.939 12.736 -11.482 1.00 0.00 H new ATOM 487 N ASN A 29 -7.779 15.452 -11.977 1.00 0.00 N ATOM 488 CA ASN A 29 -8.146 16.826 -11.623 1.00 0.00 C ATOM 489 C ASN A 29 -8.025 17.048 -10.102 1.00 0.00 C ATOM 490 O ASN A 29 -8.740 16.424 -9.312 1.00 0.00 O ATOM 491 CB ASN A 29 -9.581 17.154 -12.091 1.00 0.00 C ATOM 492 CG ASN A 29 -9.941 18.601 -11.791 1.00 0.00 C ATOM 493 OD1 ASN A 29 -10.696 18.909 -10.881 1.00 0.00 O ATOM 494 ND2 ASN A 29 -9.400 19.540 -12.534 1.00 0.00 N ATOM 0 H ASN A 29 -7.658 14.865 -11.152 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.454 17.496 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.668 16.969 -13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.289 16.490 -11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.611 20.521 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.769 19.288 -13.295 1.00 0.00 H new ATOM 501 N GLY A 30 -7.150 17.968 -9.687 1.00 0.00 N ATOM 502 CA GLY A 30 -6.967 18.344 -8.283 1.00 0.00 C ATOM 503 C GLY A 30 -7.957 19.444 -7.886 1.00 0.00 C ATOM 504 O GLY A 30 -7.613 20.627 -7.931 1.00 0.00 O ATOM 0 H GLY A 30 -6.541 18.479 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.110 17.471 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.946 18.691 -8.124 1.00 0.00 H new ATOM 508 N GLU A 31 -9.185 19.062 -7.518 1.00 0.00 N ATOM 509 CA GLU A 31 -10.277 19.973 -7.117 1.00 0.00 C ATOM 510 C GLU A 31 -9.844 20.912 -5.976 1.00 0.00 C ATOM 511 O GLU A 31 -9.868 22.138 -6.110 1.00 0.00 O ATOM 512 CB GLU A 31 -11.525 19.173 -6.695 1.00 0.00 C ATOM 513 CG GLU A 31 -12.181 18.409 -7.850 1.00 0.00 C ATOM 514 CD GLU A 31 -13.467 17.702 -7.379 1.00 0.00 C ATOM 515 OE1 GLU A 31 -13.394 16.543 -6.902 1.00 0.00 O ATOM 516 OE2 GLU A 31 -14.568 18.300 -7.480 1.00 0.00 O ATOM 0 H GLU A 31 -9.461 18.080 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.523 20.586 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.246 18.466 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.255 19.856 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.416 19.098 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.482 17.674 -8.249 1.00 0.00 H new ATOM 523 N VAL A 32 -9.435 20.315 -4.854 1.00 0.00 N ATOM 524 CA VAL A 32 -8.928 20.937 -3.624 1.00 0.00 C ATOM 525 C VAL A 32 -7.792 20.049 -3.106 1.00 0.00 C ATOM 526 O VAL A 32 -7.905 18.819 -3.165 1.00 0.00 O ATOM 527 CB VAL A 32 -10.046 21.026 -2.564 1.00 0.00 C ATOM 528 CG1 VAL A 32 -9.553 21.683 -1.265 1.00 0.00 C ATOM 529 CG2 VAL A 32 -11.259 21.835 -3.048 1.00 0.00 C ATOM 0 H VAL A 32 -9.451 19.298 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.577 21.949 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.341 19.992 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.371 21.726 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.734 21.096 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.204 22.693 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.014 21.864 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.946 22.851 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.679 21.364 -3.937 1.00 0.00 H new ATOM 539 N ARG A 33 -6.697 20.637 -2.604 1.00 0.00 N ATOM 540 CA ARG A 33 -5.555 19.876 -2.059 1.00 0.00 C ATOM 541 C ARG A 33 -6.013 18.935 -0.933 1.00 0.00 C ATOM 542 O ARG A 33 -6.643 19.375 0.030 1.00 0.00 O ATOM 543 CB ARG A 33 -4.401 20.821 -1.653 1.00 0.00 C ATOM 544 CG ARG A 33 -4.664 21.745 -0.448 1.00 0.00 C ATOM 545 CD ARG A 33 -4.174 21.150 0.883 1.00 0.00 C ATOM 546 NE ARG A 33 -4.616 21.958 2.038 1.00 0.00 N ATOM 547 CZ ARG A 33 -5.794 21.932 2.637 1.00 0.00 C ATOM 548 NH1 ARG A 33 -6.770 21.162 2.244 1.00 0.00 N ATOM 549 NH2 ARG A 33 -6.024 22.701 3.663 1.00 0.00 N ATOM 0 H ARG A 33 -6.574 21.649 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.149 19.234 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.523 20.213 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.150 21.443 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.170 22.702 -0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.733 21.947 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.549 20.132 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.086 21.090 0.876 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.932 22.613 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.642 20.545 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.662 21.177 2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.294 23.325 4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.934 22.679 4.123 1.00 0.00 H new ATOM 563 N ALA A 34 -5.709 17.647 -1.068 1.00 0.00 N ATOM 564 CA ALA A 34 -6.068 16.588 -0.117 1.00 0.00 C ATOM 565 C ALA A 34 -4.827 15.990 0.568 1.00 0.00 C ATOM 566 O ALA A 34 -4.862 15.678 1.762 1.00 0.00 O ATOM 567 CB ALA A 34 -6.899 15.529 -0.849 1.00 0.00 C ATOM 0 H ALA A 34 -5.187 17.295 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.670 17.012 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.172 14.736 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.803 15.988 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.314 15.108 -1.667 1.00 0.00 H new ATOM 573 N CYS A 35 -3.733 15.849 -0.187 1.00 0.00 N ATOM 574 CA CYS A 35 -2.441 15.341 0.258 1.00 0.00 C ATOM 575 C CYS A 35 -1.925 16.143 1.474 1.00 0.00 C ATOM 576 O CYS A 35 -1.675 17.354 1.391 1.00 0.00 O ATOM 577 CB CYS A 35 -1.488 15.397 -0.944 1.00 0.00 C ATOM 578 SG CYS A 35 0.014 14.429 -0.620 1.00 0.00 S ATOM 0 H CYS A 35 -3.730 16.100 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.519 14.310 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.991 15.011 -1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.221 16.433 -1.154 1.00 0.00 H new ATOM 583 N SER A 36 -1.810 15.463 2.619 1.00 0.00 N ATOM 584 CA SER A 36 -1.392 16.011 3.921 1.00 0.00 C ATOM 585 C SER A 36 -0.371 15.095 4.621 1.00 0.00 C ATOM 586 O SER A 36 -0.309 15.026 5.850 1.00 0.00 O ATOM 587 CB SER A 36 -2.626 16.230 4.817 1.00 0.00 C ATOM 588 OG SER A 36 -3.594 17.070 4.204 1.00 0.00 O ATOM 0 H SER A 36 -2.015 14.465 2.669 1.00 0.00 H new ATOM 0 HA SER A 36 -0.902 16.969 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.079 15.266 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.312 16.671 5.763 1.00 0.00 H new ATOM 0 HG SER A 36 -3.994 16.604 3.440 1.00 0.00 H new ATOM 594 N LEU A 37 0.431 14.376 3.828 1.00 0.00 N ATOM 595 CA LEU A 37 1.437 13.398 4.252 1.00 0.00 C ATOM 596 C LEU A 37 2.784 13.702 3.555 1.00 0.00 C ATOM 597 O LEU A 37 2.840 13.670 2.324 1.00 0.00 O ATOM 598 CB LEU A 37 0.925 11.986 3.887 1.00 0.00 C ATOM 599 CG LEU A 37 -0.354 11.549 4.632 1.00 0.00 C ATOM 600 CD1 LEU A 37 -1.011 10.372 3.916 1.00 0.00 C ATOM 601 CD2 LEU A 37 -0.058 11.135 6.074 1.00 0.00 C ATOM 0 H LEU A 37 0.392 14.467 2.813 1.00 0.00 H new ATOM 0 HA LEU A 37 1.599 13.453 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.734 11.950 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.714 11.264 4.095 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.024 12.408 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.912 10.076 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.275 10.666 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.316 9.533 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.984 10.834 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.641 10.299 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.380 11.976 6.611 1.00 0.00 H new ATOM 613 N PRO A 38 3.883 13.992 4.281 1.00 0.00 N ATOM 614 CA PRO A 38 5.177 14.303 3.662 1.00 0.00 C ATOM 615 C PRO A 38 5.770 13.099 2.910 1.00 0.00 C ATOM 616 O PRO A 38 6.338 13.242 1.824 1.00 0.00 O ATOM 617 CB PRO A 38 6.074 14.788 4.806 1.00 0.00 C ATOM 618 CG PRO A 38 5.474 14.138 6.052 1.00 0.00 C ATOM 619 CD PRO A 38 3.981 14.062 5.734 1.00 0.00 C ATOM 0 HA PRO A 38 5.076 15.070 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.110 14.483 4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.070 15.875 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.897 13.149 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.664 14.733 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.527 13.186 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.455 14.936 6.119 1.00 0.00 H new ATOM 627 N HIS A 39 5.629 11.902 3.489 1.00 0.00 N ATOM 628 CA HIS A 39 6.111 10.615 2.966 1.00 0.00 C ATOM 629 C HIS A 39 5.361 10.071 1.738 1.00 0.00 C ATOM 630 O HIS A 39 5.804 9.078 1.161 1.00 0.00 O ATOM 631 CB HIS A 39 6.217 9.611 4.121 1.00 0.00 C ATOM 632 CG HIS A 39 7.244 10.054 5.140 1.00 0.00 C ATOM 633 ND1 HIS A 39 7.005 10.383 6.464 1.00 0.00 N ATOM 634 CD2 HIS A 39 8.564 10.296 4.874 1.00 0.00 C ATOM 635 CE1 HIS A 39 8.167 10.823 6.990 1.00 0.00 C ATOM 636 NE2 HIS A 39 9.131 10.769 6.045 1.00 0.00 N ATOM 0 H HIS A 39 5.150 11.797 4.383 1.00 0.00 H new ATOM 0 HA HIS A 39 7.104 10.792 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.245 9.504 4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.489 8.630 3.730 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.113 10.307 6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.068 10.147 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.305 11.164 8.005 1.00 0.00 H new ATOM 645 N CYS A 40 4.267 10.711 1.311 1.00 0.00 N ATOM 646 CA CYS A 40 3.511 10.380 0.097 1.00 0.00 C ATOM 647 C CYS A 40 4.460 10.292 -1.121 1.00 0.00 C ATOM 648 O CYS A 40 4.539 9.258 -1.792 1.00 0.00 O ATOM 649 CB CYS A 40 2.409 11.442 -0.056 1.00 0.00 C ATOM 650 SG CYS A 40 1.505 11.281 -1.620 1.00 0.00 S ATOM 0 H CYS A 40 3.869 11.501 1.819 1.00 0.00 H new ATOM 0 HA CYS A 40 3.040 9.399 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.709 11.358 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.855 12.435 0.002 1.00 0.00 H new ATOM 655 N ARG A 41 5.257 11.349 -1.355 1.00 0.00 N ATOM 656 CA ARG A 41 6.295 11.422 -2.403 1.00 0.00 C ATOM 657 C ARG A 41 7.297 10.264 -2.303 1.00 0.00 C ATOM 658 O ARG A 41 7.657 9.668 -3.319 1.00 0.00 O ATOM 659 CB ARG A 41 6.980 12.798 -2.359 1.00 0.00 C ATOM 660 CG ARG A 41 7.785 13.065 -3.640 1.00 0.00 C ATOM 661 CD ARG A 41 8.449 14.446 -3.587 1.00 0.00 C ATOM 662 NE ARG A 41 9.203 14.730 -4.823 1.00 0.00 N ATOM 663 CZ ARG A 41 9.933 15.803 -5.080 1.00 0.00 C ATOM 664 NH1 ARG A 41 10.072 16.771 -4.219 1.00 0.00 N ATOM 665 NH2 ARG A 41 10.546 15.924 -6.222 1.00 0.00 N ATOM 0 H ARG A 41 5.196 12.205 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 41 5.816 11.312 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.228 13.577 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.642 12.849 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.546 12.295 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.127 13.006 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.687 15.212 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.121 14.496 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 41 9.156 14.024 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.610 16.717 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.643 17.583 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.465 15.189 -6.925 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.107 16.754 -6.414 1.00 0.00 H new ATOM 679 N THR A 42 7.728 9.918 -1.090 1.00 0.00 N ATOM 680 CA THR A 42 8.625 8.781 -0.820 1.00 0.00 C ATOM 681 C THR A 42 7.975 7.475 -1.291 1.00 0.00 C ATOM 682 O THR A 42 8.580 6.723 -2.054 1.00 0.00 O ATOM 683 CB THR A 42 9.013 8.681 0.667 1.00 0.00 C ATOM 684 OG1 THR A 42 9.239 9.959 1.227 1.00 0.00 O ATOM 685 CG2 THR A 42 10.299 7.873 0.843 1.00 0.00 C ATOM 0 H THR A 42 7.461 10.427 -0.247 1.00 0.00 H new ATOM 0 HA THR A 42 9.545 8.952 -1.379 1.00 0.00 H new ATOM 0 HB THR A 42 8.180 8.191 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.775 9.869 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.552 7.817 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.153 6.866 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.111 8.359 0.302 1.00 0.00 H new ATOM 693 N MET A 43 6.723 7.213 -0.897 1.00 0.00 N ATOM 694 CA MET A 43 5.969 6.041 -1.359 1.00 0.00 C ATOM 695 C MET A 43 5.756 6.046 -2.881 1.00 0.00 C ATOM 696 O MET A 43 5.841 4.986 -3.489 1.00 0.00 O ATOM 697 CB MET A 43 4.648 5.860 -0.608 1.00 0.00 C ATOM 698 CG MET A 43 4.812 5.367 0.832 1.00 0.00 C ATOM 699 SD MET A 43 5.788 3.855 1.082 1.00 0.00 S ATOM 700 CE MET A 43 7.375 4.582 1.572 1.00 0.00 C ATOM 0 H MET A 43 6.204 7.807 -0.250 1.00 0.00 H new ATOM 0 HA MET A 43 6.588 5.175 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.115 6.811 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.025 5.152 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.272 6.166 1.413 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.818 5.201 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.136 3.803 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.668 5.340 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.277 5.041 2.556 1.00 0.00 H new ATOM 710 N LYS A 44 5.524 7.199 -3.529 1.00 0.00 N ATOM 711 CA LYS A 44 5.422 7.316 -5.003 1.00 0.00 C ATOM 712 C LYS A 44 6.715 6.849 -5.689 1.00 0.00 C ATOM 713 O LYS A 44 6.655 6.126 -6.683 1.00 0.00 O ATOM 714 CB LYS A 44 5.041 8.748 -5.419 1.00 0.00 C ATOM 715 CG LYS A 44 3.550 9.027 -5.181 1.00 0.00 C ATOM 716 CD LYS A 44 3.235 10.526 -5.277 1.00 0.00 C ATOM 717 CE LYS A 44 1.725 10.757 -5.172 1.00 0.00 C ATOM 718 NZ LYS A 44 1.404 12.019 -4.481 1.00 0.00 N ATOM 0 H LYS A 44 5.400 8.088 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 44 4.622 6.655 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.640 9.463 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.276 8.896 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.955 8.482 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.262 8.656 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.749 11.065 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.606 10.923 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.290 10.771 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.268 9.925 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.374 12.160 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.751 11.977 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.860 12.812 -4.976 1.00 0.00 H new ATOM 732 N ASN A 45 7.881 7.213 -5.145 1.00 0.00 N ATOM 733 CA ASN A 45 9.190 6.748 -5.627 1.00 0.00 C ATOM 734 C ASN A 45 9.302 5.215 -5.479 1.00 0.00 C ATOM 735 O ASN A 45 9.661 4.530 -6.440 1.00 0.00 O ATOM 736 CB ASN A 45 10.332 7.489 -4.906 1.00 0.00 C ATOM 737 CG ASN A 45 10.612 8.854 -5.511 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.520 9.026 -6.313 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.851 9.867 -5.165 1.00 0.00 N ATOM 0 H ASN A 45 7.945 7.846 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 45 9.281 6.981 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.076 7.607 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.237 6.884 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.019 10.790 -5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.092 9.730 -4.497 1.00 0.00 H new ATOM 746 N VAL A 46 8.959 4.676 -4.300 1.00 0.00 N ATOM 747 CA VAL A 46 8.915 3.227 -4.009 1.00 0.00 C ATOM 748 C VAL A 46 8.017 2.517 -5.032 1.00 0.00 C ATOM 749 O VAL A 46 8.482 1.615 -5.718 1.00 0.00 O ATOM 750 CB VAL A 46 8.466 2.956 -2.556 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.159 1.480 -2.273 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.552 3.409 -1.571 1.00 0.00 C ATOM 0 H VAL A 46 8.696 5.248 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 46 9.922 2.820 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 46 7.545 3.523 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.850 1.365 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.357 1.143 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.052 0.881 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.223 3.212 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.473 2.860 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.733 4.477 -1.694 1.00 0.00 H new ATOM 762 N LEU A 47 6.757 2.942 -5.160 1.00 0.00 N ATOM 763 CA LEU A 47 5.721 2.486 -6.096 1.00 0.00 C ATOM 764 C LEU A 47 6.255 2.379 -7.533 1.00 0.00 C ATOM 765 O LEU A 47 6.186 1.301 -8.123 1.00 0.00 O ATOM 766 CB LEU A 47 4.510 3.433 -5.944 1.00 0.00 C ATOM 767 CG LEU A 47 3.243 3.140 -6.762 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.297 3.604 -8.216 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.887 1.662 -6.724 1.00 0.00 C ATOM 0 H LEU A 47 6.402 3.683 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 47 5.401 1.471 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.229 3.445 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.843 4.440 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 47 2.468 3.731 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.359 3.354 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.449 4.683 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.122 3.106 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.986 1.490 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.709 1.079 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.711 1.357 -5.693 1.00 0.00 H new ATOM 781 N ASN A 48 6.812 3.468 -8.079 1.00 0.00 N ATOM 782 CA ASN A 48 7.425 3.500 -9.412 1.00 0.00 C ATOM 783 C ASN A 48 8.464 2.377 -9.569 1.00 0.00 C ATOM 784 O ASN A 48 8.364 1.554 -10.480 1.00 0.00 O ATOM 785 CB ASN A 48 8.054 4.883 -9.651 1.00 0.00 C ATOM 786 CG ASN A 48 8.862 4.924 -10.942 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.364 4.682 -12.034 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.144 5.199 -10.864 1.00 0.00 N ATOM 0 H ASN A 48 6.850 4.367 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 48 6.655 3.330 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.268 5.637 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.699 5.139 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.716 5.210 -11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.568 5.402 -9.959 1.00 0.00 H new ATOM 795 N HIS A 49 9.453 2.328 -8.672 1.00 0.00 N ATOM 796 CA HIS A 49 10.480 1.288 -8.662 1.00 0.00 C ATOM 797 C HIS A 49 9.851 -0.122 -8.602 1.00 0.00 C ATOM 798 O HIS A 49 10.203 -0.982 -9.409 1.00 0.00 O ATOM 799 CB HIS A 49 11.472 1.556 -7.522 1.00 0.00 C ATOM 800 CG HIS A 49 12.490 0.451 -7.393 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.606 0.278 -8.186 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.341 -0.679 -6.632 1.00 0.00 C ATOM 803 CE1 HIS A 49 14.098 -0.950 -7.933 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.368 -1.561 -6.983 1.00 0.00 N ATOM 0 H HIS A 49 9.562 3.016 -7.927 1.00 0.00 H new ATOM 0 HA HIS A 49 11.039 1.320 -9.597 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.983 2.502 -7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.928 1.660 -6.583 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.989 0.957 -8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.571 -0.856 -5.896 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.957 -1.383 -8.424 1.00 0.00 H new ATOM 812 N MET A 50 8.901 -0.347 -7.686 1.00 0.00 N ATOM 813 CA MET A 50 8.159 -1.595 -7.466 1.00 0.00 C ATOM 814 C MET A 50 7.600 -2.212 -8.757 1.00 0.00 C ATOM 815 O MET A 50 7.720 -3.420 -8.967 1.00 0.00 O ATOM 816 CB MET A 50 7.016 -1.384 -6.452 1.00 0.00 C ATOM 817 CG MET A 50 7.042 -2.402 -5.311 1.00 0.00 C ATOM 818 SD MET A 50 5.431 -2.868 -4.628 1.00 0.00 S ATOM 819 CE MET A 50 4.661 -1.256 -4.341 1.00 0.00 C ATOM 0 H MET A 50 8.611 0.385 -7.037 1.00 0.00 H new ATOM 0 HA MET A 50 8.884 -2.302 -7.064 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.085 -0.378 -6.037 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.059 -1.450 -6.970 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.539 -3.305 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.654 -1.999 -4.504 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.672 -1.398 -3.905 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.279 -0.674 -3.657 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.568 -0.724 -5.288 1.00 0.00 H new ATOM 829 N THR A 51 6.975 -1.404 -9.624 1.00 0.00 N ATOM 830 CA THR A 51 6.429 -1.857 -10.918 1.00 0.00 C ATOM 831 C THR A 51 7.510 -2.383 -11.869 1.00 0.00 C ATOM 832 O THR A 51 7.299 -3.406 -12.522 1.00 0.00 O ATOM 833 CB THR A 51 5.587 -0.784 -11.642 1.00 0.00 C ATOM 834 OG1 THR A 51 5.856 0.543 -11.241 1.00 0.00 O ATOM 835 CG2 THR A 51 4.101 -1.006 -11.373 1.00 0.00 C ATOM 0 H THR A 51 6.831 -0.409 -9.449 1.00 0.00 H new ATOM 0 HA THR A 51 5.766 -2.681 -10.652 1.00 0.00 H new ATOM 0 HB THR A 51 5.856 -0.896 -12.692 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.820 0.654 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.520 -0.242 -11.890 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.809 -1.992 -11.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.912 -0.943 -10.301 1.00 0.00 H new ATOM 843 N HIS A 52 8.659 -1.701 -11.962 1.00 0.00 N ATOM 844 CA HIS A 52 9.790 -2.093 -12.821 1.00 0.00 C ATOM 845 C HIS A 52 10.541 -3.320 -12.273 1.00 0.00 C ATOM 846 O HIS A 52 10.781 -4.278 -13.013 1.00 0.00 O ATOM 847 CB HIS A 52 10.739 -0.896 -13.023 1.00 0.00 C ATOM 848 CG HIS A 52 10.048 0.345 -13.538 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.258 0.437 -14.671 1.00 0.00 N ATOM 850 CD2 HIS A 52 10.028 1.558 -12.909 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.745 1.685 -14.710 1.00 0.00 C ATOM 852 NE2 HIS A 52 9.193 2.381 -13.644 1.00 0.00 N ATOM 0 H HIS A 52 8.834 -0.846 -11.434 1.00 0.00 H new ATOM 0 HA HIS A 52 9.387 -2.388 -13.790 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.224 -0.664 -12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.525 -1.181 -13.722 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.562 1.824 -12.009 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.082 2.066 -15.473 1.00 0.00 H new ATOM 0 HE2 HIS A 52 8.957 3.347 -13.419 1.00 0.00 H new ATOM 861 N CYS A 53 10.920 -3.286 -10.994 1.00 0.00 N ATOM 862 CA CYS A 53 11.637 -4.340 -10.277 1.00 0.00 C ATOM 863 C CYS A 53 10.785 -5.621 -10.119 1.00 0.00 C ATOM 864 O CYS A 53 9.578 -5.564 -9.858 1.00 0.00 O ATOM 865 CB CYS A 53 12.071 -3.747 -8.932 1.00 0.00 C ATOM 866 SG CYS A 53 12.986 -4.939 -7.900 1.00 0.00 S ATOM 0 H CYS A 53 10.724 -2.480 -10.400 1.00 0.00 H new ATOM 0 HA CYS A 53 12.512 -4.662 -10.842 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.696 -2.872 -9.110 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.190 -3.404 -8.389 1.00 0.00 H new ATOM 871 N GLN A 54 11.423 -6.782 -10.277 1.00 0.00 N ATOM 872 CA GLN A 54 10.819 -8.121 -10.181 1.00 0.00 C ATOM 873 C GLN A 54 11.532 -9.043 -9.173 1.00 0.00 C ATOM 874 O GLN A 54 11.062 -10.153 -8.910 1.00 0.00 O ATOM 875 CB GLN A 54 10.816 -8.773 -11.573 1.00 0.00 C ATOM 876 CG GLN A 54 9.983 -7.988 -12.600 1.00 0.00 C ATOM 877 CD GLN A 54 9.864 -8.735 -13.927 1.00 0.00 C ATOM 878 OE1 GLN A 54 10.532 -8.434 -14.910 1.00 0.00 O ATOM 879 NE2 GLN A 54 9.015 -9.737 -14.011 1.00 0.00 N ATOM 0 H GLN A 54 12.421 -6.821 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 54 9.802 -7.989 -9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.842 -8.856 -11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.423 -9.787 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.987 -7.805 -12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.442 -7.014 -12.771 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.453 -9.998 -13.201 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.919 -10.252 -14.886 1.00 0.00 H new ATOM 888 N ALA A 55 12.657 -8.603 -8.602 1.00 0.00 N ATOM 889 CA ALA A 55 13.458 -9.351 -7.636 1.00 0.00 C ATOM 890 C ALA A 55 12.708 -9.574 -6.308 1.00 0.00 C ATOM 891 O ALA A 55 12.625 -10.704 -5.822 1.00 0.00 O ATOM 892 CB ALA A 55 14.787 -8.611 -7.446 1.00 0.00 C ATOM 0 H ALA A 55 13.047 -7.683 -8.809 1.00 0.00 H new ATOM 0 HA ALA A 55 13.656 -10.352 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.404 -9.151 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.310 -8.551 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.593 -7.605 -7.074 1.00 0.00 H new ATOM 898 N GLY A 56 12.160 -8.504 -5.720 1.00 0.00 N ATOM 899 CA GLY A 56 11.382 -8.526 -4.479 1.00 0.00 C ATOM 900 C GLY A 56 12.203 -8.902 -3.243 1.00 0.00 C ATOM 901 O GLY A 56 12.736 -8.020 -2.570 1.00 0.00 O ATOM 0 H GLY A 56 12.250 -7.566 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.936 -7.544 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.561 -9.235 -4.588 1.00 0.00 H new ATOM 905 N LYS A 57 12.324 -10.205 -2.939 1.00 0.00 N ATOM 906 CA LYS A 57 13.087 -10.720 -1.784 1.00 0.00 C ATOM 907 C LYS A 57 14.546 -10.239 -1.796 1.00 0.00 C ATOM 908 O LYS A 57 15.063 -9.765 -0.784 1.00 0.00 O ATOM 909 CB LYS A 57 13.084 -12.263 -1.727 1.00 0.00 C ATOM 910 CG LYS A 57 11.715 -12.940 -1.603 1.00 0.00 C ATOM 911 CD LYS A 57 10.874 -12.443 -0.419 1.00 0.00 C ATOM 912 CE LYS A 57 9.595 -13.278 -0.365 1.00 0.00 C ATOM 913 NZ LYS A 57 8.639 -12.797 0.659 1.00 0.00 N ATOM 0 H LYS A 57 11.890 -10.942 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 57 12.582 -10.325 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.570 -12.639 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.696 -12.574 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.157 -12.777 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.861 -14.016 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.432 -12.540 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.635 -11.386 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.113 -13.260 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.853 -14.316 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.723 -13.273 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.009 -13.010 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.512 -11.770 0.560 1.00 0.00 H new ATOM 927 N ALA A 58 15.208 -10.415 -2.942 1.00 0.00 N ATOM 928 CA ALA A 58 16.617 -10.096 -3.179 1.00 0.00 C ATOM 929 C ALA A 58 16.933 -8.593 -3.351 1.00 0.00 C ATOM 930 O ALA A 58 18.103 -8.212 -3.232 1.00 0.00 O ATOM 931 CB ALA A 58 17.078 -10.899 -4.402 1.00 0.00 C ATOM 0 H ALA A 58 14.754 -10.802 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 58 17.168 -10.374 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.127 -10.683 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.959 -11.964 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.476 -10.622 -5.267 1.00 0.00 H new ATOM 937 N CYS A 59 15.937 -7.740 -3.631 1.00 0.00 N ATOM 938 CA CYS A 59 16.136 -6.301 -3.810 1.00 0.00 C ATOM 939 C CYS A 59 16.657 -5.653 -2.508 1.00 0.00 C ATOM 940 O CYS A 59 16.109 -5.855 -1.416 1.00 0.00 O ATOM 941 CB CYS A 59 14.839 -5.659 -4.330 1.00 0.00 C ATOM 942 SG CYS A 59 15.177 -4.027 -5.075 1.00 0.00 S ATOM 0 H CYS A 59 14.966 -8.034 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 59 16.906 -6.126 -4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.376 -6.312 -5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.128 -5.550 -3.511 1.00 0.00 H new ATOM 947 N GLN A 60 17.757 -4.905 -2.622 1.00 0.00 N ATOM 948 CA GLN A 60 18.448 -4.242 -1.507 1.00 0.00 C ATOM 949 C GLN A 60 17.590 -3.177 -0.802 1.00 0.00 C ATOM 950 O GLN A 60 17.728 -2.972 0.407 1.00 0.00 O ATOM 951 CB GLN A 60 19.772 -3.630 -1.993 1.00 0.00 C ATOM 952 CG GLN A 60 20.761 -4.693 -2.501 1.00 0.00 C ATOM 953 CD GLN A 60 22.109 -4.079 -2.873 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.372 -3.728 -4.018 1.00 0.00 O ATOM 955 NE2 GLN A 60 23.017 -3.923 -1.931 1.00 0.00 N ATOM 0 H GLN A 60 18.208 -4.737 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 60 18.649 -5.013 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.567 -2.917 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.231 -3.071 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.907 -5.452 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.339 -5.197 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.813 -4.210 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.924 -3.515 -2.159 1.00 0.00 H new ATOM 964 N VAL A 61 16.710 -2.493 -1.541 1.00 0.00 N ATOM 965 CA VAL A 61 15.806 -1.453 -1.023 1.00 0.00 C ATOM 966 C VAL A 61 14.769 -2.079 -0.079 1.00 0.00 C ATOM 967 O VAL A 61 13.949 -2.900 -0.493 1.00 0.00 O ATOM 968 CB VAL A 61 15.110 -0.691 -2.173 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.231 0.451 -1.640 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.134 -0.065 -3.133 1.00 0.00 C ATOM 0 H VAL A 61 16.602 -2.649 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 61 16.401 -0.731 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 61 14.500 -1.428 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.757 0.966 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.463 0.043 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.848 1.156 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.610 0.463 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.764 0.636 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.755 -0.850 -3.565 1.00 0.00 H new ATOM 980 N ALA A 62 14.797 -1.677 1.197 1.00 0.00 N ATOM 981 CA ALA A 62 13.895 -2.148 2.256 1.00 0.00 C ATOM 982 C ALA A 62 12.417 -2.096 1.828 1.00 0.00 C ATOM 983 O ALA A 62 11.707 -3.103 1.839 1.00 0.00 O ATOM 984 CB ALA A 62 14.156 -1.316 3.521 1.00 0.00 C ATOM 0 H ALA A 62 15.472 -0.990 1.533 1.00 0.00 H new ATOM 0 HA ALA A 62 14.101 -3.198 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.495 -1.651 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.193 -1.442 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.966 -0.264 3.310 1.00 0.00 H new ATOM 990 N HIS A 63 11.964 -0.903 1.426 1.00 0.00 N ATOM 991 CA HIS A 63 10.594 -0.644 0.976 1.00 0.00 C ATOM 992 C HIS A 63 10.168 -1.510 -0.217 1.00 0.00 C ATOM 993 O HIS A 63 9.059 -2.035 -0.163 1.00 0.00 O ATOM 994 CB HIS A 63 10.383 0.852 0.721 1.00 0.00 C ATOM 995 CG HIS A 63 10.661 1.705 1.934 1.00 0.00 C ATOM 996 ND1 HIS A 63 9.948 1.694 3.122 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.698 2.589 2.065 1.00 0.00 C ATOM 998 CE1 HIS A 63 10.557 2.550 3.966 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.618 3.109 3.347 1.00 0.00 N ATOM 0 H HIS A 63 12.555 -0.072 1.405 1.00 0.00 H new ATOM 0 HA HIS A 63 9.931 -0.944 1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.031 1.170 -0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.356 1.018 0.396 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.115 1.140 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.435 2.834 1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.245 2.756 4.979 1.00 0.00 H new ATOM 1008 N CYS A 64 10.997 -1.695 -1.254 1.00 0.00 N ATOM 1009 CA CYS A 64 10.683 -2.560 -2.407 1.00 0.00 C ATOM 1010 C CYS A 64 10.323 -3.983 -1.934 1.00 0.00 C ATOM 1011 O CYS A 64 9.252 -4.503 -2.257 1.00 0.00 O ATOM 1012 CB CYS A 64 11.859 -2.576 -3.399 1.00 0.00 C ATOM 1013 SG CYS A 64 11.480 -3.632 -4.843 1.00 0.00 S ATOM 0 H CYS A 64 11.911 -1.247 -1.320 1.00 0.00 H new ATOM 0 HA CYS A 64 9.814 -2.155 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.073 -1.560 -3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.756 -2.943 -2.900 1.00 0.00 H new ATOM 1018 N ALA A 65 11.190 -4.588 -1.115 1.00 0.00 N ATOM 1019 CA ALA A 65 10.963 -5.900 -0.522 1.00 0.00 C ATOM 1020 C ALA A 65 9.627 -5.935 0.238 1.00 0.00 C ATOM 1021 O ALA A 65 8.771 -6.751 -0.095 1.00 0.00 O ATOM 1022 CB ALA A 65 12.154 -6.294 0.361 1.00 0.00 C ATOM 0 H ALA A 65 12.080 -4.170 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 65 10.887 -6.643 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.973 -7.276 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.060 -6.328 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.276 -5.559 1.157 1.00 0.00 H new ATOM 1028 N SER A 66 9.446 -5.072 1.246 1.00 0.00 N ATOM 1029 CA SER A 66 8.264 -4.960 2.120 1.00 0.00 C ATOM 1030 C SER A 66 6.930 -4.666 1.416 1.00 0.00 C ATOM 1031 O SER A 66 5.961 -5.401 1.626 1.00 0.00 O ATOM 1032 CB SER A 66 8.509 -3.886 3.181 1.00 0.00 C ATOM 1033 OG SER A 66 9.576 -4.291 4.013 1.00 0.00 O ATOM 0 H SER A 66 10.164 -4.390 1.491 1.00 0.00 H new ATOM 0 HA SER A 66 8.150 -5.953 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.744 -2.934 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.608 -3.731 3.774 1.00 0.00 H new ATOM 0 HG SER A 66 10.428 -4.037 3.600 1.00 0.00 H new ATOM 1039 N SER A 67 6.852 -3.599 0.613 1.00 0.00 N ATOM 1040 CA SER A 67 5.650 -3.110 -0.100 1.00 0.00 C ATOM 1041 C SER A 67 4.878 -4.178 -0.880 1.00 0.00 C ATOM 1042 O SER A 67 3.650 -4.155 -0.950 1.00 0.00 O ATOM 1043 CB SER A 67 5.961 -1.894 -0.978 1.00 0.00 C ATOM 1044 OG SER A 67 7.017 -2.144 -1.872 1.00 0.00 O ATOM 0 H SER A 67 7.668 -3.016 0.428 1.00 0.00 H new ATOM 0 HA SER A 67 4.973 -2.800 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.069 -1.615 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.217 -1.045 -0.344 1.00 0.00 H new ATOM 0 HG SER A 67 7.864 -2.168 -1.379 1.00 0.00 H new ATOM 1050 N ARG A 68 5.573 -5.155 -1.447 1.00 0.00 N ATOM 1051 CA ARG A 68 4.971 -6.287 -2.165 1.00 0.00 C ATOM 1052 C ARG A 68 4.096 -7.161 -1.242 1.00 0.00 C ATOM 1053 O ARG A 68 3.014 -7.580 -1.658 1.00 0.00 O ATOM 1054 CB ARG A 68 6.110 -7.053 -2.834 1.00 0.00 C ATOM 1055 CG ARG A 68 6.838 -6.179 -3.871 1.00 0.00 C ATOM 1056 CD ARG A 68 8.107 -6.863 -4.379 1.00 0.00 C ATOM 1057 NE ARG A 68 8.931 -5.943 -5.178 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.804 -5.649 -6.453 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.833 -6.093 -7.201 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.671 -4.882 -7.019 1.00 0.00 N ATOM 0 H ARG A 68 6.592 -5.190 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 68 4.277 -5.936 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.819 -7.390 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.715 -7.945 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.172 -5.974 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.094 -5.218 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.687 -7.231 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.838 -7.730 -4.982 1.00 0.00 H new ATOM 0 HE ARG A 68 9.692 -5.477 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.120 -6.703 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.787 -5.830 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.450 -4.507 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.578 -4.650 -8.008 1.00 0.00 H new ATOM 1074 N GLN A 69 4.513 -7.414 0.010 1.00 0.00 N ATOM 1075 CA GLN A 69 3.725 -8.181 0.999 1.00 0.00 C ATOM 1076 C GLN A 69 2.446 -7.437 1.409 1.00 0.00 C ATOM 1077 O GLN A 69 1.379 -8.044 1.404 1.00 0.00 O ATOM 1078 CB GLN A 69 4.447 -8.484 2.329 1.00 0.00 C ATOM 1079 CG GLN A 69 5.436 -9.657 2.346 1.00 0.00 C ATOM 1080 CD GLN A 69 6.747 -9.386 1.630 1.00 0.00 C ATOM 1081 OE1 GLN A 69 7.454 -10.283 1.188 1.00 0.00 O ATOM 1082 NE2 GLN A 69 7.147 -8.143 1.540 1.00 0.00 N ATOM 0 H GLN A 69 5.411 -7.092 0.370 1.00 0.00 H new ATOM 0 HA GLN A 69 3.531 -9.113 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.985 -7.586 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.688 -8.673 3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.650 -9.920 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.959 -10.524 1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.563 -7.391 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.043 -7.926 1.104 1.00 0.00 H new ATOM 1091 N ILE A 70 2.535 -6.157 1.814 1.00 0.00 N ATOM 1092 CA ILE A 70 1.368 -5.371 2.278 1.00 0.00 C ATOM 1093 C ILE A 70 0.210 -5.403 1.270 1.00 0.00 C ATOM 1094 O ILE A 70 -0.944 -5.591 1.661 1.00 0.00 O ATOM 1095 CB ILE A 70 1.704 -3.922 2.725 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.818 -3.217 1.944 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.965 -3.905 4.238 1.00 0.00 C ATOM 1098 CD1 ILE A 70 3.029 -1.728 2.266 1.00 0.00 C ATOM 0 H ILE A 70 3.412 -5.637 1.830 1.00 0.00 H new ATOM 0 HA ILE A 70 1.036 -5.878 3.184 1.00 0.00 H new ATOM 0 HB ILE A 70 0.825 -3.325 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.754 -3.744 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.604 -3.311 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.201 -2.889 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.076 -4.252 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.803 -4.562 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.841 -1.335 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.114 -1.176 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.282 -1.616 3.320 1.00 0.00 H new ATOM 1110 N ILE A 71 0.516 -5.268 -0.023 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.477 -5.368 -1.100 1.00 0.00 C ATOM 1112 C ILE A 71 -0.981 -6.806 -1.244 1.00 0.00 C ATOM 1113 O ILE A 71 -2.195 -7.002 -1.312 1.00 0.00 O ATOM 1114 CB ILE A 71 0.066 -4.757 -2.404 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.444 -3.274 -2.186 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -0.948 -4.870 -3.554 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.594 -2.427 -1.420 1.00 0.00 C ATOM 0 H ILE A 71 1.463 -5.085 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.353 -4.774 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 71 0.955 -5.323 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.389 -3.234 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.614 -2.814 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.526 -4.427 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.175 -5.920 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.863 -4.343 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.229 -1.405 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.537 -2.425 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.750 -2.852 -0.429 1.00 0.00 H new ATOM 1129 N SER A 72 -0.091 -7.809 -1.228 1.00 0.00 N ATOM 1130 CA SER A 72 -0.476 -9.233 -1.237 1.00 0.00 C ATOM 1131 C SER A 72 -1.505 -9.517 -0.131 1.00 0.00 C ATOM 1132 O SER A 72 -2.563 -10.080 -0.413 1.00 0.00 O ATOM 1133 CB SER A 72 0.725 -10.175 -1.073 1.00 0.00 C ATOM 1134 OG SER A 72 1.675 -10.010 -2.106 1.00 0.00 O ATOM 0 H SER A 72 0.918 -7.658 -1.208 1.00 0.00 H new ATOM 0 HA SER A 72 -0.915 -9.429 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.201 -9.990 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.376 -11.208 -1.063 1.00 0.00 H new ATOM 0 HG SER A 72 2.157 -9.167 -1.975 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.220 -9.101 1.109 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.104 -9.218 2.267 1.00 0.00 C ATOM 1142 C HIS A 73 -3.474 -8.579 1.980 1.00 0.00 C ATOM 1143 O HIS A 73 -4.452 -9.321 1.906 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.424 -8.657 3.535 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.386 -8.360 4.672 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.543 -7.128 5.273 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.454 -9.137 5.053 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.716 -7.136 5.936 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.307 -8.338 5.832 1.00 0.00 N ATOM 0 H HIS A 73 -0.331 -8.657 1.338 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.294 -10.274 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.678 -9.372 3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.892 -7.742 3.275 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.887 -6.349 5.224 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.609 -10.175 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.124 -6.294 6.475 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.568 -7.251 1.805 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.853 -6.568 1.576 1.00 0.00 C ATOM 1159 C TRP A 74 -5.682 -7.166 0.425 1.00 0.00 C ATOM 1160 O TRP A 74 -6.890 -7.377 0.567 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.674 -5.055 1.379 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.976 -4.306 1.286 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.988 -4.422 2.176 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.465 -3.385 0.257 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.071 -3.670 1.766 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.805 -3.008 0.591 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -5.925 -2.827 -0.922 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.564 -2.128 -0.195 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.671 -1.923 -1.705 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -7.983 -1.572 -1.338 1.00 0.00 C ATOM 0 H TRP A 74 -2.763 -6.624 1.818 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.424 -6.736 2.489 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.092 -4.655 2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.097 -4.880 0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.954 -5.017 3.077 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.956 -3.613 2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.925 -3.097 -1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.580 -1.884 0.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.232 -1.496 -2.594 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.542 -0.872 -1.941 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.042 -7.457 -0.717 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.673 -8.056 -1.904 1.00 0.00 C ATOM 1183 C LYS A 75 -6.358 -9.396 -1.589 1.00 0.00 C ATOM 1184 O LYS A 75 -7.485 -9.633 -2.030 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.616 -8.192 -3.010 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.221 -8.546 -4.375 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.107 -8.674 -5.422 1.00 0.00 C ATOM 1188 CE LYS A 75 -4.695 -8.785 -6.832 1.00 0.00 C ATOM 1189 NZ LYS A 75 -3.616 -8.795 -7.850 1.00 0.00 N ATOM 0 H LYS A 75 -4.046 -7.278 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.471 -7.399 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.064 -7.256 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.898 -8.961 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.776 -9.482 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.931 -7.777 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.448 -7.808 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.499 -9.552 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.288 -9.696 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.369 -7.949 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.033 -8.905 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.089 -7.900 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.969 -9.587 -7.662 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.677 -10.275 -0.850 1.00 0.00 N ATOM 1204 CA ASN A 76 -6.166 -11.605 -0.468 1.00 0.00 C ATOM 1205 C ASN A 76 -7.143 -11.605 0.726 1.00 0.00 C ATOM 1206 O ASN A 76 -8.105 -12.377 0.720 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.973 -12.528 -0.188 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.308 -12.999 -1.471 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.618 -14.049 -2.010 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.373 -12.247 -1.999 1.00 0.00 N ATOM 0 H ASN A 76 -4.743 -10.077 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.746 -11.975 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.243 -12.002 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.309 -13.392 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.907 -12.540 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.111 -11.369 -1.551 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.880 -10.802 1.762 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.658 -10.726 3.000 1.00 0.00 C ATOM 1219 C CYS A 77 -9.137 -10.344 2.773 1.00 0.00 C ATOM 1220 O CYS A 77 -9.480 -9.477 1.959 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.952 -9.752 3.958 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.526 -9.916 5.683 1.00 0.00 S ATOM 0 H CYS A 77 -6.086 -10.161 1.759 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.697 -11.721 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.877 -9.927 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.121 -8.730 3.619 1.00 0.00 H new ATOM 1227 N THR A 78 -10.016 -11.021 3.513 1.00 0.00 N ATOM 1228 CA THR A 78 -11.482 -10.871 3.512 1.00 0.00 C ATOM 1229 C THR A 78 -12.065 -10.820 4.934 1.00 0.00 C ATOM 1230 O THR A 78 -13.287 -10.869 5.111 1.00 0.00 O ATOM 1231 CB THR A 78 -12.151 -12.005 2.706 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.699 -13.273 3.150 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.869 -11.898 1.206 1.00 0.00 C ATOM 0 H THR A 78 -9.709 -11.736 4.173 1.00 0.00 H new ATOM 0 HA THR A 78 -11.699 -9.916 3.033 1.00 0.00 H new ATOM 0 HB THR A 78 -13.223 -11.902 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.136 -13.977 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.361 -12.718 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.250 -10.948 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.794 -11.951 1.033 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.213 -10.690 5.964 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.597 -10.620 7.384 1.00 0.00 C ATOM 1243 C ARG A 79 -12.484 -9.402 7.678 1.00 0.00 C ATOM 1244 O ARG A 79 -12.137 -8.263 7.360 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.328 -10.641 8.255 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.655 -10.602 9.757 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.495 -11.049 10.653 1.00 0.00 C ATOM 1248 NE ARG A 79 -8.331 -10.143 10.612 1.00 0.00 N ATOM 1249 CZ ARG A 79 -7.362 -10.076 11.507 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.340 -10.818 12.582 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -6.377 -9.253 11.334 1.00 0.00 N ATOM 0 H ARG A 79 -10.204 -10.629 5.827 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.202 -11.493 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.752 -11.539 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.699 -9.788 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.943 -9.587 10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.517 -11.241 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.850 -11.124 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.178 -12.047 10.351 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.269 -9.508 9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.092 -11.484 12.758 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.570 -10.732 13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.350 -8.657 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.629 -9.201 12.025 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.634 -9.656 8.311 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.658 -8.663 8.687 1.00 0.00 C ATOM 1267 C HIS A 80 -14.193 -7.579 9.676 1.00 0.00 C ATOM 1268 O HIS A 80 -14.891 -6.581 9.843 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.894 -9.398 9.238 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.436 -10.467 8.317 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -16.551 -11.813 8.617 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.890 -10.271 7.042 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -17.064 -12.428 7.531 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.279 -11.512 6.562 1.00 0.00 N ATOM 0 H HIS A 80 -13.893 -10.602 8.590 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.895 -8.117 7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.637 -9.853 10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.680 -8.669 9.434 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.936 -9.331 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.270 -13.485 7.450 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.662 -11.701 5.636 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.059 -7.765 10.357 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.518 -6.832 11.358 1.00 0.00 C ATOM 1285 C ASP A 81 -10.976 -6.695 11.367 1.00 0.00 C ATOM 1286 O ASP A 81 -10.398 -6.349 12.403 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.076 -7.208 12.748 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.422 -8.452 13.384 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.207 -9.469 12.680 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.164 -8.434 14.612 1.00 0.00 O ATOM 0 H ASP A 81 -12.474 -8.590 10.226 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.855 -5.835 11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.944 -6.360 13.420 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.149 -7.382 12.660 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.297 -6.900 10.227 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.844 -6.684 10.124 1.00 0.00 C ATOM 1297 C CYS A 82 -8.586 -5.167 10.358 1.00 0.00 C ATOM 1298 O CYS A 82 -9.361 -4.338 9.857 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.343 -7.128 8.736 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.656 -7.835 8.699 1.00 0.00 S ATOM 0 H CYS A 82 -10.733 -7.216 9.361 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.304 -7.272 10.866 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.037 -7.868 8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.373 -6.269 8.066 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.543 -4.764 11.109 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.278 -3.362 11.459 1.00 0.00 C ATOM 1307 C PRO A 83 -6.971 -2.406 10.290 1.00 0.00 C ATOM 1308 O PRO A 83 -6.822 -1.204 10.530 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.123 -3.414 12.470 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.405 -4.711 12.108 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.562 -5.629 11.742 1.00 0.00 C ATOM 0 HA PRO A 83 -8.193 -2.926 11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.466 -2.550 12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.487 -3.428 13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.714 -4.575 11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.824 -5.102 12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.239 -6.420 11.066 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.976 -6.114 12.626 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.881 -2.891 9.045 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.592 -2.067 7.852 1.00 0.00 C ATOM 1321 C VAL A 84 -7.592 -2.358 6.730 1.00 0.00 C ATOM 1322 O VAL A 84 -8.153 -1.432 6.142 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.147 -2.228 7.333 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.712 -0.907 6.687 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.149 -2.590 8.433 1.00 0.00 C ATOM 0 H VAL A 84 -7.008 -3.880 8.829 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.698 -1.030 8.171 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.148 -3.050 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.692 -1.003 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.380 -0.669 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.754 -0.109 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.153 -2.689 8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.141 -1.806 9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.441 -3.534 8.892 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.832 -3.637 6.435 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.752 -4.124 5.417 1.00 0.00 C ATOM 1337 C CYS A 85 -10.178 -3.590 5.621 1.00 0.00 C ATOM 1338 O CYS A 85 -10.776 -3.092 4.667 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.717 -5.661 5.415 1.00 0.00 C ATOM 1340 SG CYS A 85 -7.010 -6.292 5.506 1.00 0.00 S ATOM 0 H CYS A 85 -7.363 -4.397 6.928 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.432 -3.752 4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.291 -6.040 6.260 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -9.196 -6.035 4.511 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.725 -3.686 6.841 1.00 0.00 N ATOM 1346 CA LEU A 86 -12.070 -3.204 7.183 1.00 0.00 C ATOM 1347 C LEU A 86 -12.312 -1.729 6.778 1.00 0.00 C ATOM 1348 O LEU A 86 -13.204 -1.512 5.954 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.403 -3.549 8.651 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.862 -3.334 9.106 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.216 -1.873 9.393 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.880 -3.904 8.116 1.00 0.00 C ATOM 0 H LEU A 86 -10.237 -4.108 7.631 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.797 -3.740 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.146 -4.595 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.756 -2.953 9.295 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.923 -3.885 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.258 -1.806 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.573 -1.492 10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.070 -1.279 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.889 -3.724 8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.758 -3.418 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.720 -4.977 8.006 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.581 -0.709 7.286 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.794 0.687 6.885 1.00 0.00 C ATOM 1366 C PRO A 87 -11.634 0.899 5.367 1.00 0.00 C ATOM 1367 O PRO A 87 -12.461 1.577 4.760 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.839 1.540 7.727 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.769 0.558 8.195 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.515 -0.775 8.281 1.00 0.00 C ATOM 0 HA PRO A 87 -12.823 0.990 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.406 2.350 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.354 1.999 8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.937 0.507 7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.354 0.848 9.160 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.845 -1.610 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.923 -0.929 9.280 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.616 0.298 4.737 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.401 0.342 3.281 1.00 0.00 C ATOM 1380 C LEU A 88 -11.621 -0.194 2.509 1.00 0.00 C ATOM 1381 O LEU A 88 -12.131 0.489 1.620 1.00 0.00 O ATOM 1382 CB LEU A 88 -9.113 -0.413 2.925 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.820 0.326 3.315 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.624 -0.612 3.179 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.571 1.532 2.403 1.00 0.00 C ATOM 0 H LEU A 88 -9.906 -0.242 5.231 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.283 1.382 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.126 -1.384 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.101 -0.602 1.852 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.937 0.664 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.713 -0.082 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.759 -1.471 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.545 -0.954 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.651 2.032 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.479 1.195 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.406 2.228 2.484 1.00 0.00 H new ATOM 1397 N LYS A 89 -12.111 -1.391 2.856 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.299 -2.038 2.273 1.00 0.00 C ATOM 1399 C LYS A 89 -14.557 -1.184 2.467 1.00 0.00 C ATOM 1400 O LYS A 89 -15.306 -0.972 1.517 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.462 -3.454 2.857 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.601 -4.229 2.178 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.726 -5.655 2.727 1.00 0.00 C ATOM 1404 CE LYS A 89 -15.871 -6.379 2.007 1.00 0.00 C ATOM 1405 NZ LYS A 89 -16.047 -7.770 2.502 1.00 0.00 N ATOM 0 H LYS A 89 -11.674 -1.961 3.581 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.156 -2.130 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.529 -4.004 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.658 -3.384 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.541 -3.698 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.424 -4.268 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.791 -6.196 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.916 -5.628 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.798 -5.823 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.672 -6.398 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.830 -8.224 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.171 -8.308 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.263 -7.752 3.519 1.00 0.00 H new ATOM 1419 N ASN A 90 -14.782 -0.689 3.686 1.00 0.00 N ATOM 1420 CA ASN A 90 -15.908 0.180 4.045 1.00 0.00 C ATOM 1421 C ASN A 90 -15.939 1.448 3.168 1.00 0.00 C ATOM 1422 O ASN A 90 -16.981 1.784 2.602 1.00 0.00 O ATOM 1423 CB ASN A 90 -15.842 0.508 5.547 1.00 0.00 C ATOM 1424 CG ASN A 90 -17.014 1.374 5.981 1.00 0.00 C ATOM 1425 OD1 ASN A 90 -16.913 2.587 6.103 1.00 0.00 O ATOM 1426 ND2 ASN A 90 -18.166 0.788 6.217 1.00 0.00 N ATOM 0 H ASN A 90 -14.168 -0.887 4.476 1.00 0.00 H new ATOM 0 HA ASN A 90 -16.844 -0.345 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -15.840 -0.418 6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -14.907 1.023 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -18.972 1.344 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -18.254 -0.223 6.116 1.00 0.00 H new ATOM 1433 N ALA A 91 -14.799 2.137 3.041 1.00 0.00 N ATOM 1434 CA ALA A 91 -14.637 3.322 2.200 1.00 0.00 C ATOM 1435 C ALA A 91 -14.888 3.011 0.708 1.00 0.00 C ATOM 1436 O ALA A 91 -15.651 3.722 0.049 1.00 0.00 O ATOM 1437 CB ALA A 91 -13.233 3.900 2.423 1.00 0.00 C ATOM 0 H ALA A 91 -13.944 1.877 3.534 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.384 4.062 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -13.101 4.785 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -13.114 4.173 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -12.485 3.153 2.156 1.00 0.00 H new ATOM 1443 N SER A 92 -14.239 1.963 0.185 1.00 0.00 N ATOM 1444 CA SER A 92 -14.297 1.505 -1.214 1.00 0.00 C ATOM 1445 C SER A 92 -15.674 0.951 -1.618 1.00 0.00 C ATOM 1446 O SER A 92 -15.935 -0.251 -1.543 1.00 0.00 O ATOM 1447 CB SER A 92 -13.210 0.454 -1.478 1.00 0.00 C ATOM 1448 OG SER A 92 -11.926 0.958 -1.155 1.00 0.00 O ATOM 0 H SER A 92 -13.626 1.379 0.754 1.00 0.00 H new ATOM 0 HA SER A 92 -14.120 2.385 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.413 -0.440 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.234 0.156 -2.526 1.00 0.00 H new ATOM 0 HG SER A 92 -11.781 0.889 -0.188 1.00 0.00 H new ATOM 1454 N ASP A 93 -16.561 1.831 -2.086 1.00 0.00 N ATOM 1455 CA ASP A 93 -17.923 1.523 -2.539 1.00 0.00 C ATOM 1456 C ASP A 93 -18.232 2.262 -3.852 1.00 0.00 C ATOM 1457 O ASP A 93 -18.514 3.466 -3.860 1.00 0.00 O ATOM 1458 CB ASP A 93 -18.925 1.869 -1.423 1.00 0.00 C ATOM 1459 CG ASP A 93 -20.379 1.600 -1.845 1.00 0.00 C ATOM 1460 OD1 ASP A 93 -20.675 0.477 -2.322 1.00 0.00 O ATOM 1461 OD2 ASP A 93 -21.241 2.497 -1.682 1.00 0.00 O ATOM 0 H ASP A 93 -16.341 2.824 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.011 0.457 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -18.692 1.284 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -18.816 2.919 -1.151 1.00 0.00 H new ATOM 1466 N LYS A 94 -18.159 1.532 -4.975 1.00 0.00 N ATOM 1467 CA LYS A 94 -18.386 2.052 -6.335 1.00 0.00 C ATOM 1468 C LYS A 94 -19.812 2.599 -6.507 1.00 0.00 C ATOM 1469 O LYS A 94 -20.788 1.887 -6.249 1.00 0.00 O ATOM 1470 CB LYS A 94 -18.094 0.958 -7.379 1.00 0.00 C ATOM 1471 CG LYS A 94 -16.621 0.513 -7.389 1.00 0.00 C ATOM 1472 CD LYS A 94 -16.376 -0.532 -8.487 1.00 0.00 C ATOM 1473 CE LYS A 94 -14.912 -0.992 -8.478 1.00 0.00 C ATOM 1474 NZ LYS A 94 -14.658 -2.009 -9.532 1.00 0.00 N ATOM 0 H LYS A 94 -17.935 0.537 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 94 -17.699 2.884 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -18.727 0.094 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -18.363 1.327 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.976 1.377 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.356 0.096 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -17.033 -1.388 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.624 -0.109 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.258 -0.134 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.666 -1.408 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.660 -2.300 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.265 -2.837 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.871 -1.602 -10.465 1.00 0.00 H new ATOM 1488 N ARG A 95 -19.923 3.860 -6.946 1.00 0.00 N ATOM 1489 CA ARG A 95 -21.190 4.579 -7.198 1.00 0.00 C ATOM 1490 C ARG A 95 -22.026 3.924 -8.310 1.00 0.00 C ATOM 1491 O ARG A 95 -21.457 3.552 -9.362 1.00 0.00 O ATOM 1492 CB ARG A 95 -20.907 6.056 -7.532 1.00 0.00 C ATOM 1493 CG ARG A 95 -20.323 6.840 -6.341 1.00 0.00 C ATOM 1494 CD ARG A 95 -20.067 8.314 -6.687 1.00 0.00 C ATOM 1495 NE ARG A 95 -21.317 9.058 -6.939 1.00 0.00 N ATOM 1496 CZ ARG A 95 -21.429 10.291 -7.392 1.00 0.00 C ATOM 1497 NH1 ARG A 95 -20.393 11.029 -7.672 1.00 0.00 N ATOM 1498 NH2 ARG A 95 -22.605 10.818 -7.573 1.00 0.00 N ATOM 1499 OXT ARG A 95 -23.259 3.801 -8.124 1.00 0.00 O ATOM 0 H ARG A 95 -19.104 4.434 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 95 -21.781 4.524 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -20.211 6.107 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -21.832 6.533 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -21.010 6.781 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -19.389 6.375 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.524 8.787 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -19.429 8.372 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 95 -22.188 8.565 -6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.452 10.657 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.523 11.979 -8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -23.444 10.277 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.688 11.772 -7.924 1.00 0.00 H new TER 1513 ARG A 95 ATOM 1514 N SER B 99 -12.478 14.295 5.611 1.00 0.00 N ATOM 1515 CA SER B 99 -11.250 13.526 5.918 1.00 0.00 C ATOM 1516 C SER B 99 -11.373 12.085 5.439 1.00 0.00 C ATOM 1517 O SER B 99 -12.402 11.442 5.655 1.00 0.00 O ATOM 1518 CB SER B 99 -10.949 13.541 7.420 1.00 0.00 C ATOM 1519 OG SER B 99 -10.844 14.884 7.870 1.00 0.00 O ATOM 0 HA SER B 99 -10.427 14.007 5.389 1.00 0.00 H new ATOM 0 HB2 SER B 99 -11.739 13.025 7.965 1.00 0.00 H new ATOM 0 HB3 SER B 99 -10.021 13.006 7.621 1.00 0.00 H new ATOM 0 HG SER B 99 -11.505 15.438 7.404 1.00 0.00 H new ATOM 1527 N ASP B 100 -10.332 11.555 4.789 1.00 0.00 N ATOM 1528 CA ASP B 100 -10.282 10.164 4.306 1.00 0.00 C ATOM 1529 C ASP B 100 -10.296 9.174 5.493 1.00 0.00 C ATOM 1530 O ASP B 100 -9.569 9.364 6.471 1.00 0.00 O ATOM 1531 CB ASP B 100 -9.026 9.986 3.441 1.00 0.00 C ATOM 1532 CG ASP B 100 -9.030 8.655 2.680 1.00 0.00 C ATOM 1533 OD1 ASP B 100 -8.741 7.604 3.292 1.00 0.00 O ATOM 1534 OD2 ASP B 100 -9.299 8.658 1.457 1.00 0.00 O ATOM 0 H ASP B 100 -9.486 12.085 4.579 1.00 0.00 H new ATOM 0 HA ASP B 100 -11.163 9.951 3.701 1.00 0.00 H new ATOM 0 HB2 ASP B 100 -8.957 10.809 2.730 1.00 0.00 H new ATOM 0 HB3 ASP B 100 -8.140 10.038 4.074 1.00 0.00 H new ATOM 1539 N LEU B 101 -11.131 8.131 5.425 1.00 0.00 N ATOM 1540 CA LEU B 101 -11.289 7.124 6.483 1.00 0.00 C ATOM 1541 C LEU B 101 -9.985 6.359 6.762 1.00 0.00 C ATOM 1542 O LEU B 101 -9.550 6.276 7.910 1.00 0.00 O ATOM 1543 CB LEU B 101 -12.447 6.171 6.122 1.00 0.00 C ATOM 1544 CG LEU B 101 -12.688 5.043 7.148 1.00 0.00 C ATOM 1545 CD1 LEU B 101 -13.012 5.573 8.546 1.00 0.00 C ATOM 1546 CD2 LEU B 101 -13.857 4.168 6.700 1.00 0.00 C ATOM 0 H LEU B 101 -11.729 7.959 4.617 1.00 0.00 H new ATOM 0 HA LEU B 101 -11.535 7.640 7.411 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -13.362 6.754 6.019 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -12.243 5.723 5.149 1.00 0.00 H new ATOM 0 HG LEU B 101 -11.760 4.473 7.198 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -13.172 4.735 9.225 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -12.181 6.179 8.907 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -13.914 6.183 8.504 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -14.019 3.375 7.430 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -14.757 4.777 6.620 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -13.630 3.726 5.730 1.00 0.00 H new ATOM 1558 N ALA B 102 -9.370 5.798 5.721 1.00 0.00 N ATOM 1559 CA ALA B 102 -8.122 5.051 5.814 1.00 0.00 C ATOM 1560 C ALA B 102 -6.934 5.984 6.095 1.00 0.00 C ATOM 1561 O ALA B 102 -6.220 5.795 7.082 1.00 0.00 O ATOM 1562 CB ALA B 102 -7.932 4.242 4.529 1.00 0.00 C ATOM 0 H ALA B 102 -9.736 5.853 4.770 1.00 0.00 H new ATOM 0 HA ALA B 102 -8.170 4.360 6.656 1.00 0.00 H new ATOM 0 HB1 ALA B 102 -7.001 3.679 4.588 1.00 0.00 H new ATOM 0 HB2 ALA B 102 -8.766 3.551 4.407 1.00 0.00 H new ATOM 0 HB3 ALA B 102 -7.893 4.919 3.675 1.00 0.00 H new ATOM 1568 N CYS B 103 -6.718 7.007 5.260 1.00 0.00 N ATOM 1569 CA CYS B 103 -5.619 7.970 5.406 1.00 0.00 C ATOM 1570 C CYS B 103 -5.852 9.040 6.498 1.00 0.00 C ATOM 1571 O CYS B 103 -5.313 10.146 6.417 1.00 0.00 O ATOM 1572 CB CYS B 103 -5.265 8.610 4.055 1.00 0.00 C ATOM 1573 SG CYS B 103 -5.161 7.392 2.706 1.00 0.00 S ATOM 0 H CYS B 103 -7.311 7.192 4.451 1.00 0.00 H new ATOM 0 HA CYS B 103 -4.764 7.391 5.755 1.00 0.00 H new ATOM 0 HB2 CYS B 103 -6.016 9.360 3.805 1.00 0.00 H new ATOM 0 HB3 CYS B 103 -4.312 9.131 4.143 1.00 0.00 H new ATOM 0 HG CYS B 103 -4.110 6.646 2.875 1.00 0.00 H new ATOM 1579 N ARG B 104 -6.600 8.703 7.559 1.00 0.00 N ATOM 1580 CA ARG B 104 -6.858 9.546 8.745 1.00 0.00 C ATOM 1581 C ARG B 104 -5.592 9.898 9.546 1.00 0.00 C ATOM 1582 O ARG B 104 -5.639 10.775 10.406 1.00 0.00 O ATOM 1583 CB ARG B 104 -7.909 8.864 9.643 1.00 0.00 C ATOM 1584 CG ARG B 104 -7.395 7.596 10.361 1.00 0.00 C ATOM 1585 CD ARG B 104 -8.489 6.826 11.115 1.00 0.00 C ATOM 1586 NE ARG B 104 -9.160 7.647 12.147 1.00 0.00 N ATOM 1587 CZ ARG B 104 -10.336 8.246 12.063 1.00 0.00 C ATOM 1588 NH1 ARG B 104 -11.059 8.211 10.978 1.00 0.00 N ATOM 1589 NH2 ARG B 104 -10.812 8.908 13.078 1.00 0.00 N ATOM 0 H ARG B 104 -7.064 7.797 7.621 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.241 10.499 8.380 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.252 9.579 10.391 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -8.774 8.599 9.035 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -6.938 6.933 9.626 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.612 7.880 11.065 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -9.232 6.468 10.402 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.049 5.947 11.586 1.00 0.00 H new ATOM 0 HE ARG B 104 -8.657 7.765 13.026 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -10.722 7.709 10.156 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -11.962 8.685 10.951 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -10.277 8.967 13.945 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -11.720 9.368 13.007 1.00 0.00 H new ATOM 1603 N LEU B 105 -4.493 9.181 9.279 1.00 0.00 N ATOM 1604 CA LEU B 105 -3.165 9.233 9.903 1.00 0.00 C ATOM 1605 C LEU B 105 -2.753 10.627 10.423 1.00 0.00 C ATOM 1606 O LEU B 105 -2.474 11.538 9.639 1.00 0.00 O ATOM 1607 CB LEU B 105 -2.076 8.725 8.921 1.00 0.00 C ATOM 1608 CG LEU B 105 -2.367 7.504 8.028 1.00 0.00 C ATOM 1609 CD1 LEU B 105 -1.192 7.297 7.070 1.00 0.00 C ATOM 1610 CD2 LEU B 105 -2.548 6.225 8.840 1.00 0.00 C ATOM 0 H LEU B 105 -4.515 8.476 8.542 1.00 0.00 H new ATOM 0 HA LEU B 105 -3.242 8.581 10.773 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -1.816 9.555 8.264 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -1.188 8.494 9.510 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.294 7.704 7.491 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.389 6.434 6.434 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.067 8.185 6.450 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.281 7.124 7.643 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.751 5.392 8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.639 6.021 9.405 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.384 6.347 9.529 1.00 0.00 H new ATOM 1622 N LEU B 106 -2.646 10.773 11.749 1.00 0.00 N ATOM 1623 CA LEU B 106 -2.091 11.980 12.382 1.00 0.00 C ATOM 1624 C LEU B 106 -0.574 12.002 12.103 1.00 0.00 C ATOM 1625 O LEU B 106 -0.004 13.001 11.664 1.00 0.00 O ATOM 1626 CB LEU B 106 -2.358 11.977 13.903 1.00 0.00 C ATOM 1627 CG LEU B 106 -3.757 12.463 14.328 1.00 0.00 C ATOM 1628 CD1 LEU B 106 -4.874 11.477 13.982 1.00 0.00 C ATOM 1629 CD2 LEU B 106 -3.778 12.672 15.843 1.00 0.00 C ATOM 0 H LEU B 106 -2.941 10.059 12.415 1.00 0.00 H new ATOM 0 HA LEU B 106 -2.568 12.869 11.970 1.00 0.00 H new ATOM 0 HB2 LEU B 106 -2.214 10.964 14.278 1.00 0.00 H new ATOM 0 HB3 LEU B 106 -1.611 12.605 14.387 1.00 0.00 H new ATOM 0 HG LEU B 106 -3.941 13.387 13.780 1.00 0.00 H new ATOM 0 HD11 LEU B 106 -5.831 11.882 14.309 1.00 0.00 H new ATOM 0 HD12 LEU B 106 -4.897 11.317 12.904 1.00 0.00 H new ATOM 0 HD13 LEU B 106 -4.691 10.528 14.486 1.00 0.00 H new ATOM 0 HD21 LEU B 106 -4.766 13.016 16.149 1.00 0.00 H new ATOM 0 HD22 LEU B 106 -3.550 11.731 16.343 1.00 0.00 H new ATOM 0 HD23 LEU B 106 -3.033 13.418 16.118 1.00 0.00 H new ATOM 1641 N GLY B 107 0.054 10.852 12.367 1.00 0.00 N ATOM 1642 CA GLY B 107 1.466 10.516 12.192 1.00 0.00 C ATOM 1643 C GLY B 107 1.788 9.268 13.017 1.00 0.00 C ATOM 1644 O GLY B 107 2.651 9.324 13.893 1.00 0.00 O ATOM 0 H GLY B 107 -0.465 10.059 12.744 1.00 0.00 H new ATOM 0 HA2 GLY B 107 1.683 10.337 11.139 1.00 0.00 H new ATOM 0 HA3 GLY B 107 2.093 11.349 12.509 1.00 0.00 H new ATOM 1648 N GLN B 108 1.068 8.165 12.743 1.00 0.00 N ATOM 1649 CA GLN B 108 1.102 6.874 13.462 1.00 0.00 C ATOM 1650 C GLN B 108 2.490 6.479 13.987 1.00 0.00 C ATOM 1651 O GLN B 108 2.670 6.262 15.188 1.00 0.00 O ATOM 1652 CB GLN B 108 0.515 5.744 12.593 1.00 0.00 C ATOM 1653 CG GLN B 108 -0.990 5.894 12.312 1.00 0.00 C ATOM 1654 CD GLN B 108 -1.613 4.589 11.808 1.00 0.00 C ATOM 1655 OE1 GLN B 108 -1.051 3.856 11.005 1.00 0.00 O ATOM 1656 NE2 GLN B 108 -2.804 4.247 12.253 1.00 0.00 N ATOM 0 H GLN B 108 0.406 8.148 11.967 1.00 0.00 H new ATOM 0 HA GLN B 108 0.479 7.020 14.344 1.00 0.00 H new ATOM 0 HB2 GLN B 108 1.051 5.712 11.644 1.00 0.00 H new ATOM 0 HB3 GLN B 108 0.689 4.789 13.089 1.00 0.00 H new ATOM 0 HG2 GLN B 108 -1.499 6.211 13.222 1.00 0.00 H new ATOM 0 HG3 GLN B 108 -1.144 6.679 11.571 1.00 0.00 H new ATOM 0 HE21 GLN B 108 -3.289 4.844 12.923 1.00 0.00 H new ATOM 0 HE22 GLN B 108 -3.242 3.385 11.928 1.00 0.00 H new ATOM 1665 N SER B 109 3.462 6.403 13.078 1.00 0.00 N ATOM 1666 CA SER B 109 4.871 6.083 13.344 1.00 0.00 C ATOM 1667 C SER B 109 5.822 7.184 12.846 1.00 0.00 C ATOM 1668 O SER B 109 7.044 7.025 12.876 1.00 0.00 O ATOM 1669 CB SER B 109 5.228 4.737 12.714 1.00 0.00 C ATOM 1670 OG SER B 109 4.319 3.723 13.120 1.00 0.00 O ATOM 0 H SER B 109 3.283 6.570 12.088 1.00 0.00 H new ATOM 0 HA SER B 109 4.997 6.020 14.425 1.00 0.00 H new ATOM 0 HB2 SER B 109 5.216 4.826 11.628 1.00 0.00 H new ATOM 0 HB3 SER B 109 6.242 4.456 13.000 1.00 0.00 H new ATOM 0 HG SER B 109 4.114 3.143 12.357 1.00 0.00 H new ATOM 1676 N MET B 110 5.279 8.331 12.424 1.00 0.00 N ATOM 1677 CA MET B 110 6.055 9.505 12.003 1.00 0.00 C ATOM 1678 C MET B 110 6.722 10.161 13.217 1.00 0.00 C ATOM 1679 O MET B 110 7.884 10.561 13.163 1.00 0.00 O ATOM 1680 CB MET B 110 5.206 10.497 11.198 1.00 0.00 C ATOM 1681 CG MET B 110 4.604 9.774 9.991 1.00 0.00 C ATOM 1682 SD MET B 110 4.157 10.795 8.570 1.00 0.00 S ATOM 1683 CE MET B 110 3.730 9.410 7.486 1.00 0.00 C ATOM 0 H MET B 110 4.271 8.473 12.364 1.00 0.00 H new ATOM 0 HA MET B 110 6.843 9.169 11.328 1.00 0.00 H new ATOM 0 HB2 MET B 110 4.414 10.909 11.824 1.00 0.00 H new ATOM 0 HB3 MET B 110 5.819 11.335 10.867 1.00 0.00 H new ATOM 0 HG2 MET B 110 5.316 9.020 9.657 1.00 0.00 H new ATOM 0 HG3 MET B 110 3.711 9.244 10.323 1.00 0.00 H new ATOM 0 HE1 MET B 110 3.637 9.766 6.460 1.00 0.00 H new ATOM 0 HE2 MET B 110 4.512 8.653 7.538 1.00 0.00 H new ATOM 0 HE3 MET B 110 2.783 8.976 7.807 1.00 0.00 H new ATOM 1693 N ASP B 111 5.990 10.202 14.332 1.00 0.00 N ATOM 1694 CA ASP B 111 6.464 10.644 15.644 1.00 0.00 C ATOM 1695 C ASP B 111 7.613 9.743 16.143 1.00 0.00 C ATOM 1696 O ASP B 111 8.624 10.225 16.657 1.00 0.00 O ATOM 1697 CB ASP B 111 5.280 10.586 16.614 1.00 0.00 C ATOM 1698 CG ASP B 111 5.664 11.116 18.006 1.00 0.00 C ATOM 1699 OD1 ASP B 111 5.850 12.348 18.153 1.00 0.00 O ATOM 1700 OD2 ASP B 111 5.770 10.308 18.959 1.00 0.00 O ATOM 0 H ASP B 111 5.011 9.916 14.346 1.00 0.00 H new ATOM 0 HA ASP B 111 6.852 11.661 15.578 1.00 0.00 H new ATOM 0 HB2 ASP B 111 4.453 11.174 16.215 1.00 0.00 H new ATOM 0 HB3 ASP B 111 4.929 9.558 16.699 1.00 0.00 H new ATOM 1705 N GLU B 112 7.449 8.424 15.981 1.00 0.00 N ATOM 1706 CA GLU B 112 8.410 7.384 16.366 1.00 0.00 C ATOM 1707 C GLU B 112 9.719 7.445 15.561 1.00 0.00 C ATOM 1708 O GLU B 112 10.806 7.489 16.145 1.00 0.00 O ATOM 1709 CB GLU B 112 7.777 5.984 16.230 1.00 0.00 C ATOM 1710 CG GLU B 112 6.552 5.739 17.127 1.00 0.00 C ATOM 1711 CD GLU B 112 6.850 5.814 18.643 1.00 0.00 C ATOM 1712 OE1 GLU B 112 7.992 5.523 19.076 1.00 0.00 O ATOM 1713 OE2 GLU B 112 5.922 6.136 19.424 1.00 0.00 O ATOM 0 H GLU B 112 6.605 8.036 15.559 1.00 0.00 H new ATOM 0 HA GLU B 112 8.665 7.574 17.408 1.00 0.00 H new ATOM 0 HB2 GLU B 112 7.485 5.832 15.191 1.00 0.00 H new ATOM 0 HB3 GLU B 112 8.534 5.235 16.461 1.00 0.00 H new ATOM 0 HG2 GLU B 112 5.784 6.473 16.882 1.00 0.00 H new ATOM 0 HG3 GLU B 112 6.139 4.757 16.898 1.00 0.00 H new ATOM 1720 N SER B 113 9.620 7.409 14.226 1.00 0.00 N ATOM 1721 CA SER B 113 10.771 7.366 13.305 1.00 0.00 C ATOM 1722 C SER B 113 10.618 8.171 12.005 1.00 0.00 C ATOM 1723 O SER B 113 11.612 8.706 11.510 1.00 0.00 O ATOM 1724 CB SER B 113 11.077 5.909 12.911 1.00 0.00 C ATOM 1725 OG SER B 113 11.272 5.066 14.039 1.00 0.00 O ATOM 0 H SER B 113 8.722 7.409 13.743 1.00 0.00 H new ATOM 0 HA SER B 113 11.578 7.832 13.870 1.00 0.00 H new ATOM 0 HB2 SER B 113 10.256 5.520 12.309 1.00 0.00 H new ATOM 0 HB3 SER B 113 11.970 5.886 12.286 1.00 0.00 H new ATOM 0 HG SER B 113 11.461 4.153 13.736 1.00 0.00 H new ATOM 1731 N GLY B 114 9.422 8.214 11.405 1.00 0.00 N ATOM 1732 CA GLY B 114 9.165 8.832 10.093 1.00 0.00 C ATOM 1733 C GLY B 114 8.641 7.744 9.162 1.00 0.00 C ATOM 1734 O GLY B 114 7.435 7.621 8.941 1.00 0.00 O ATOM 0 H GLY B 114 8.585 7.811 11.826 1.00 0.00 H new ATOM 0 HA2 GLY B 114 8.438 9.638 10.186 1.00 0.00 H new ATOM 0 HA3 GLY B 114 10.078 9.271 9.692 1.00 0.00 H new ATOM 1738 N LEU B 115 9.569 6.905 8.700 1.00 0.00 N ATOM 1739 CA LEU B 115 9.357 5.692 7.908 1.00 0.00 C ATOM 1740 C LEU B 115 10.213 4.556 8.501 1.00 0.00 C ATOM 1741 O LEU B 115 11.350 4.808 8.917 1.00 0.00 O ATOM 1742 CB LEU B 115 9.731 5.919 6.434 1.00 0.00 C ATOM 1743 CG LEU B 115 8.743 6.775 5.630 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.271 6.904 4.202 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.352 6.145 5.564 1.00 0.00 C ATOM 0 H LEU B 115 10.559 7.067 8.882 1.00 0.00 H new ATOM 0 HA LEU B 115 8.301 5.425 7.945 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.712 6.392 6.394 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.825 4.949 5.947 1.00 0.00 H new ATOM 0 HG LEU B 115 8.656 7.742 6.126 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.582 7.510 3.613 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.251 7.381 4.218 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.357 5.914 3.755 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.689 6.787 4.985 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.418 5.167 5.087 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.956 6.030 6.573 1.00 0.00 H new ATOM 1757 N PRO B 116 9.697 3.317 8.561 1.00 0.00 N ATOM 1758 CA PRO B 116 10.418 2.185 9.134 1.00 0.00 C ATOM 1759 C PRO B 116 11.412 1.541 8.157 1.00 0.00 C ATOM 1760 O PRO B 116 11.417 1.822 6.956 1.00 0.00 O ATOM 1761 CB PRO B 116 9.301 1.200 9.481 1.00 0.00 C ATOM 1762 CG PRO B 116 8.316 1.384 8.328 1.00 0.00 C ATOM 1763 CD PRO B 116 8.370 2.896 8.114 1.00 0.00 C ATOM 0 HA PRO B 116 11.029 2.490 9.983 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.669 0.176 9.539 1.00 0.00 H new ATOM 0 HB3 PRO B 116 8.844 1.430 10.444 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.620 0.833 7.438 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.314 1.043 8.587 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.213 3.148 7.065 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.588 3.399 8.683 1.00 0.00 H new ATOM 1771 N GLN B 117 12.197 0.594 8.675 1.00 0.00 N ATOM 1772 CA GLN B 117 13.103 -0.271 7.915 1.00 0.00 C ATOM 1773 C GLN B 117 12.633 -1.721 8.086 1.00 0.00 C ATOM 1774 O GLN B 117 13.313 -2.577 8.661 1.00 0.00 O ATOM 1775 CB GLN B 117 14.573 -0.025 8.302 1.00 0.00 C ATOM 1776 CG GLN B 117 15.155 1.114 7.457 1.00 0.00 C ATOM 1777 CD GLN B 117 16.588 1.455 7.863 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.559 1.028 7.249 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.783 2.237 8.905 1.00 0.00 N ATOM 0 H GLN B 117 12.220 0.401 9.676 1.00 0.00 H new ATOM 0 HA GLN B 117 13.067 -0.035 6.851 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.642 0.225 9.361 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.154 -0.935 8.151 1.00 0.00 H new ATOM 0 HG2 GLN B 117 15.134 0.831 6.404 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.528 2.000 7.562 1.00 0.00 H new ATOM 0 HE21 GLN B 117 15.985 2.600 9.426 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.732 2.479 9.190 1.00 0.00 H new ATOM 1788 N LEU B 118 11.436 -1.980 7.551 1.00 0.00 N ATOM 1789 CA LEU B 118 10.825 -3.306 7.494 1.00 0.00 C ATOM 1790 C LEU B 118 11.588 -4.177 6.479 1.00 0.00 C ATOM 1791 O LEU B 118 12.427 -3.702 5.705 1.00 0.00 O ATOM 1792 CB LEU B 118 9.345 -3.186 7.068 1.00 0.00 C ATOM 1793 CG LEU B 118 8.398 -2.505 8.067 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.041 -2.290 7.397 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.170 -3.337 9.329 1.00 0.00 C ATOM 0 H LEU B 118 10.853 -1.253 7.136 1.00 0.00 H new ATOM 0 HA LEU B 118 10.874 -3.768 8.480 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.304 -2.635 6.129 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.966 -4.188 6.867 1.00 0.00 H new ATOM 0 HG LEU B 118 8.865 -1.564 8.359 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.361 -1.807 8.099 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.165 -1.657 6.518 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.627 -3.252 7.096 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.493 -2.806 9.998 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.732 -4.297 9.057 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.122 -3.502 9.833 1.00 0.00 H new ATOM 1807 N THR B 119 11.260 -5.464 6.464 1.00 0.00 N ATOM 1808 CA THR B 119 11.792 -6.459 5.532 1.00 0.00 C ATOM 1809 C THR B 119 10.656 -7.357 5.048 1.00 0.00 C ATOM 1810 O THR B 119 9.541 -7.313 5.581 1.00 0.00 O ATOM 1811 CB THR B 119 12.913 -7.300 6.172 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.418 -8.075 7.241 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.087 -6.451 6.671 1.00 0.00 C ATOM 0 H THR B 119 10.591 -5.861 7.124 1.00 0.00 H new ATOM 0 HA THR B 119 12.231 -5.935 4.683 1.00 0.00 H new ATOM 0 HB THR B 119 13.283 -7.952 5.381 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.202 -7.490 7.997 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.844 -7.100 7.111 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.521 -5.903 5.835 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.732 -5.746 7.422 1.00 0.00 H new ATOM 1821 N SER B 120 10.927 -8.197 4.049 1.00 0.00 N ATOM 1822 CA SER B 120 9.977 -9.195 3.546 1.00 0.00 C ATOM 1823 C SER B 120 9.532 -10.112 4.695 1.00 0.00 C ATOM 1824 O SER B 120 8.334 -10.267 4.939 1.00 0.00 O ATOM 1825 CB SER B 120 10.601 -9.986 2.392 1.00 0.00 C ATOM 1826 OG SER B 120 11.928 -10.382 2.717 1.00 0.00 O ATOM 0 H SER B 120 11.822 -8.205 3.559 1.00 0.00 H new ATOM 0 HA SER B 120 9.091 -8.694 3.155 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.995 -10.866 2.178 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.608 -9.377 1.488 1.00 0.00 H new ATOM 0 HG SER B 120 12.311 -10.887 1.970 1.00 0.00 H new ATOM 1832 N TYR B 121 10.505 -10.648 5.442 1.00 0.00 N ATOM 1833 CA TYR B 121 10.319 -11.476 6.635 1.00 0.00 C ATOM 1834 C TYR B 121 9.389 -10.806 7.660 1.00 0.00 C ATOM 1835 O TYR B 121 8.387 -11.405 8.049 1.00 0.00 O ATOM 1836 CB TYR B 121 11.686 -11.804 7.253 1.00 0.00 C ATOM 1837 CG TYR B 121 11.603 -12.680 8.491 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.612 -14.083 8.361 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.490 -12.095 9.770 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.513 -14.899 9.505 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.377 -12.908 10.916 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.396 -14.315 10.786 1.00 0.00 C ATOM 1843 OH TYR B 121 11.289 -15.112 11.884 1.00 0.00 O ATOM 0 H TYR B 121 11.490 -10.508 5.218 1.00 0.00 H new ATOM 0 HA TYR B 121 9.833 -12.404 6.335 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.302 -12.304 6.506 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.191 -10.873 7.511 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.695 -14.533 7.383 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.490 -11.020 9.871 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.527 -15.974 9.402 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.276 -12.456 11.892 1.00 0.00 H new ATOM 0 HH TYR B 121 11.218 -14.555 12.687 1.00 0.00 H new ATOM 1853 N ASP B 122 9.696 -9.572 8.091 1.00 0.00 N ATOM 1854 CA ASP B 122 8.879 -8.817 9.055 1.00 0.00 C ATOM 1855 C ASP B 122 7.407 -8.748 8.624 1.00 0.00 C ATOM 1856 O ASP B 122 6.514 -9.066 9.413 1.00 0.00 O ATOM 1857 CB ASP B 122 9.414 -7.390 9.263 1.00 0.00 C ATOM 1858 CG ASP B 122 10.735 -7.341 10.042 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.786 -7.850 11.187 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.712 -6.758 9.516 1.00 0.00 O ATOM 0 H ASP B 122 10.525 -9.066 7.778 1.00 0.00 H new ATOM 0 HA ASP B 122 8.945 -9.359 9.998 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.557 -6.918 8.291 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.665 -6.803 9.795 1.00 0.00 H new ATOM 1865 N CYS B 123 7.157 -8.348 7.374 1.00 0.00 N ATOM 1866 CA CYS B 123 5.822 -8.235 6.792 1.00 0.00 C ATOM 1867 C CYS B 123 5.083 -9.587 6.763 1.00 0.00 C ATOM 1868 O CYS B 123 3.953 -9.670 7.243 1.00 0.00 O ATOM 1869 CB CYS B 123 5.915 -7.594 5.405 1.00 0.00 C ATOM 1870 SG CYS B 123 6.615 -5.924 5.521 1.00 0.00 S ATOM 0 H CYS B 123 7.899 -8.088 6.724 1.00 0.00 H new ATOM 0 HA CYS B 123 5.222 -7.586 7.430 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.535 -8.210 4.754 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.925 -7.549 4.952 1.00 0.00 H new ATOM 0 HG CYS B 123 7.912 -6.000 5.577 1.00 0.00 H new ATOM 1876 N GLU B 124 5.709 -10.645 6.234 1.00 0.00 N ATOM 1877 CA GLU B 124 5.154 -12.012 6.186 1.00 0.00 C ATOM 1878 C GLU B 124 4.726 -12.505 7.581 1.00 0.00 C ATOM 1879 O GLU B 124 3.620 -13.019 7.758 1.00 0.00 O ATOM 1880 CB GLU B 124 6.181 -12.996 5.595 1.00 0.00 C ATOM 1881 CG GLU B 124 6.366 -12.856 4.082 1.00 0.00 C ATOM 1882 CD GLU B 124 7.459 -13.810 3.572 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.156 -15.002 3.325 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.612 -13.367 3.351 1.00 0.00 O ATOM 0 H GLU B 124 6.637 -10.578 5.817 1.00 0.00 H new ATOM 0 HA GLU B 124 4.272 -11.974 5.547 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.142 -12.843 6.086 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.867 -14.015 5.821 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.425 -13.070 3.575 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.632 -11.828 3.838 1.00 0.00 H new ATOM 1891 N VAL B 125 5.612 -12.351 8.568 1.00 0.00 N ATOM 1892 CA VAL B 125 5.431 -12.735 9.976 1.00 0.00 C ATOM 1893 C VAL B 125 4.284 -11.977 10.653 1.00 0.00 C ATOM 1894 O VAL B 125 3.408 -12.589 11.265 1.00 0.00 O ATOM 1895 CB VAL B 125 6.765 -12.527 10.730 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.644 -12.459 12.258 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.727 -13.665 10.375 1.00 0.00 C ATOM 0 H VAL B 125 6.527 -11.932 8.400 1.00 0.00 H new ATOM 0 HA VAL B 125 5.150 -13.788 10.009 1.00 0.00 H new ATOM 0 HB VAL B 125 7.132 -11.553 10.407 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.632 -12.312 12.695 1.00 0.00 H new ATOM 0 HG12 VAL B 125 5.997 -11.627 12.535 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.218 -13.390 12.631 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.669 -13.523 10.904 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.287 -14.618 10.667 1.00 0.00 H new ATOM 0 HG23 VAL B 125 7.910 -13.664 9.301 1.00 0.00 H new ATOM 1907 N ASN B 126 4.310 -10.644 10.597 1.00 0.00 N ATOM 1908 CA ASN B 126 3.347 -9.775 11.279 1.00 0.00 C ATOM 1909 C ASN B 126 1.961 -9.724 10.620 1.00 0.00 C ATOM 1910 O ASN B 126 0.964 -9.653 11.345 1.00 0.00 O ATOM 1911 CB ASN B 126 3.967 -8.383 11.448 1.00 0.00 C ATOM 1912 CG ASN B 126 5.024 -8.377 12.536 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.742 -8.109 13.691 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.249 -8.727 12.234 1.00 0.00 N ATOM 0 H ASN B 126 5.013 -10.128 10.067 1.00 0.00 H new ATOM 0 HA ASN B 126 3.149 -10.210 12.259 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.411 -8.064 10.505 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.187 -7.663 11.693 1.00 0.00 H new ATOM 0 HD21 ASN B 126 6.960 -8.774 12.963 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.492 -8.953 11.269 1.00 0.00 H new ATOM 1921 N ALA B 127 1.877 -9.768 9.289 1.00 0.00 N ATOM 1922 CA ALA B 127 0.622 -9.739 8.532 1.00 0.00 C ATOM 1923 C ALA B 127 0.553 -10.888 7.493 1.00 0.00 C ATOM 1924 O ALA B 127 0.737 -10.652 6.293 1.00 0.00 O ATOM 1925 CB ALA B 127 0.465 -8.339 7.916 1.00 0.00 C ATOM 0 H ALA B 127 2.701 -9.826 8.691 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.225 -9.918 9.194 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.464 -8.294 7.347 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.441 -7.593 8.710 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.307 -8.137 7.254 1.00 0.00 H new ATOM 1931 N PRO B 128 0.280 -12.137 7.932 1.00 0.00 N ATOM 1932 CA PRO B 128 0.153 -13.300 7.049 1.00 0.00 C ATOM 1933 C PRO B 128 -0.915 -13.100 5.962 1.00 0.00 C ATOM 1934 O PRO B 128 -2.021 -12.622 6.228 1.00 0.00 O ATOM 1935 CB PRO B 128 -0.204 -14.488 7.953 1.00 0.00 C ATOM 1936 CG PRO B 128 0.287 -14.057 9.332 1.00 0.00 C ATOM 1937 CD PRO B 128 0.064 -12.548 9.314 1.00 0.00 C ATOM 0 HA PRO B 128 1.087 -13.466 6.511 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -1.277 -14.682 7.953 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.286 -15.404 7.622 1.00 0.00 H new ATOM 0 HG2 PRO B 128 -0.276 -14.540 10.131 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.336 -14.309 9.485 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.944 -12.297 9.645 1.00 0.00 H new ATOM 0 HD3 PRO B 128 0.756 -12.041 9.987 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.582 -13.478 4.728 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.466 -13.368 3.558 1.00 0.00 C ATOM 1947 C ILE B 129 -2.516 -14.492 3.619 1.00 0.00 C ATOM 1948 O ILE B 129 -2.174 -15.669 3.761 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.630 -13.410 2.258 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.460 -12.305 2.240 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.540 -13.230 1.028 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.653 -12.679 1.361 1.00 0.00 C ATOM 0 H ILE B 129 0.329 -13.879 4.505 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.993 -12.414 3.564 1.00 0.00 H new ATOM 0 HB ILE B 129 -0.142 -14.384 2.223 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.024 -11.374 1.879 1.00 0.00 H new ATOM 0 HG13 ILE B 129 0.805 -12.122 3.258 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.936 -13.262 0.121 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -2.278 -14.032 1.001 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -2.050 -12.269 1.091 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.387 -11.874 1.382 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.109 -13.595 1.737 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.315 -12.835 0.337 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.802 -14.130 3.551 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.944 -15.052 3.660 1.00 0.00 C ATOM 1966 C GLN B 130 -4.975 -16.157 2.585 1.00 0.00 C ATOM 1967 O GLN B 130 -5.291 -17.309 2.894 1.00 0.00 O ATOM 1968 CB GLN B 130 -6.245 -14.224 3.656 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.546 -15.036 3.793 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.651 -15.814 5.106 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -8.235 -15.367 6.086 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -7.100 -17.008 5.185 1.00 0.00 N ATOM 0 H GLN B 130 -4.088 -13.160 3.415 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.837 -15.594 4.599 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -6.199 -13.503 4.472 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.289 -13.653 2.729 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -8.396 -14.359 3.713 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.617 -15.735 2.960 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -6.609 -17.398 4.380 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -7.164 -17.543 6.051 1.00 0.00 H new ATOM 1981 N GLY B 131 -4.680 -15.804 1.333 1.00 0.00 N ATOM 1982 CA GLY B 131 -4.685 -16.696 0.165 1.00 0.00 C ATOM 1983 C GLY B 131 -3.284 -17.089 -0.320 1.00 0.00 C ATOM 1984 O GLY B 131 -2.267 -16.676 0.243 1.00 0.00 O ATOM 0 H GLY B 131 -4.419 -14.848 1.091 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -5.241 -17.601 0.413 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.218 -16.208 -0.651 1.00 0.00 H new ATOM 1988 N SER B 132 -3.232 -17.919 -1.363 1.00 0.00 N ATOM 1989 CA SER B 132 -2.001 -18.479 -1.949 1.00 0.00 C ATOM 1990 C SER B 132 -1.185 -17.477 -2.790 1.00 0.00 C ATOM 1991 O SER B 132 -1.041 -17.625 -4.007 1.00 0.00 O ATOM 1992 CB SER B 132 -2.339 -19.739 -2.763 1.00 0.00 C ATOM 1993 OG SER B 132 -2.999 -20.698 -1.947 1.00 0.00 O ATOM 0 H SER B 132 -4.074 -18.235 -1.845 1.00 0.00 H new ATOM 0 HA SER B 132 -1.352 -18.739 -1.113 1.00 0.00 H new ATOM 0 HB2 SER B 132 -2.974 -19.473 -3.608 1.00 0.00 H new ATOM 0 HB3 SER B 132 -1.426 -20.169 -3.174 1.00 0.00 H new ATOM 0 HG SER B 132 -3.209 -21.493 -2.481 1.00 0.00 H new ATOM 1999 N ARG B 133 -0.599 -16.480 -2.118 1.00 0.00 N ATOM 2000 CA ARG B 133 0.324 -15.440 -2.621 1.00 0.00 C ATOM 2001 C ARG B 133 1.418 -15.184 -1.572 1.00 0.00 C ATOM 2002 O ARG B 133 1.304 -15.629 -0.427 1.00 0.00 O ATOM 2003 CB ARG B 133 -0.423 -14.133 -2.968 1.00 0.00 C ATOM 2004 CG ARG B 133 -1.370 -14.198 -4.180 1.00 0.00 C ATOM 2005 CD ARG B 133 -0.734 -14.638 -5.508 1.00 0.00 C ATOM 2006 NE ARG B 133 0.410 -13.799 -5.925 1.00 0.00 N ATOM 2007 CZ ARG B 133 1.043 -13.871 -7.084 1.00 0.00 C ATOM 2008 NH1 ARG B 133 0.661 -14.672 -8.039 1.00 0.00 N ATOM 2009 NH2 ARG B 133 2.095 -13.141 -7.309 1.00 0.00 N ATOM 0 H ARG B 133 -0.770 -16.364 -1.119 1.00 0.00 H new ATOM 0 HA ARG B 133 0.782 -15.797 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -1.001 -13.826 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG B 133 0.316 -13.353 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -2.183 -14.884 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -1.815 -13.213 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -0.401 -15.672 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -1.494 -14.616 -6.290 1.00 0.00 H new ATOM 0 HE ARG B 133 0.741 -13.102 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -0.153 -15.272 -7.906 1.00 0.00 H new ATOM 0 HH12 ARG B 133 1.176 -14.698 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG B 133 2.439 -12.506 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG B 133 2.577 -13.203 -8.206 1.00 0.00 H new ATOM 2023 N ASN B 134 2.479 -14.471 -1.952 1.00 0.00 N ATOM 2024 CA ASN B 134 3.613 -14.147 -1.072 1.00 0.00 C ATOM 2025 C ASN B 134 4.244 -12.797 -1.446 1.00 0.00 C ATOM 2026 O ASN B 134 4.463 -11.942 -0.589 1.00 0.00 O ATOM 2027 CB ASN B 134 4.598 -15.319 -1.077 1.00 0.00 C ATOM 2028 CG ASN B 134 5.653 -15.138 -0.007 1.00 0.00 C ATOM 2029 OD1 ASN B 134 6.703 -14.564 -0.240 1.00 0.00 O ATOM 2030 ND2 ASN B 134 5.400 -15.593 1.197 1.00 0.00 N ATOM 0 H ASN B 134 2.580 -14.094 -2.894 1.00 0.00 H new ATOM 0 HA ASN B 134 3.269 -14.017 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN B 134 4.061 -16.252 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN B 134 5.074 -15.396 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN B 134 6.083 -15.467 1.944 1.00 0.00 H new ATOM 0 HD22 ASN B 134 4.520 -16.072 1.386 1.00 0.00 H new ATOM 2037 N LEU B 135 4.471 -12.607 -2.746 1.00 0.00 N ATOM 2038 CA LEU B 135 4.926 -11.371 -3.376 1.00 0.00 C ATOM 2039 C LEU B 135 3.995 -11.016 -4.546 1.00 0.00 C ATOM 2040 O LEU B 135 3.298 -11.866 -5.109 1.00 0.00 O ATOM 2041 CB LEU B 135 6.387 -11.499 -3.855 1.00 0.00 C ATOM 2042 CG LEU B 135 7.490 -11.394 -2.784 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.843 -11.436 -3.495 1.00 0.00 C ATOM 2044 CD2 LEU B 135 7.449 -10.079 -2.012 1.00 0.00 C ATOM 0 H LEU B 135 4.334 -13.356 -3.425 1.00 0.00 H new ATOM 0 HA LEU B 135 4.892 -10.568 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.495 -12.460 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.567 -10.726 -4.602 1.00 0.00 H new ATOM 0 HG LEU B 135 7.338 -12.215 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.643 -11.363 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.938 -12.374 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.914 -10.601 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU B 135 8.250 -10.066 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU B 135 7.580 -9.247 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU B 135 6.488 -9.983 -1.507 1.00 0.00 H new ATOM 2056 N LEU B 136 4.003 -9.737 -4.903 1.00 0.00 N ATOM 2057 CA LEU B 136 3.234 -9.089 -5.962 1.00 0.00 C ATOM 2058 C LEU B 136 4.197 -8.219 -6.804 1.00 0.00 C ATOM 2059 O LEU B 136 5.137 -7.628 -6.265 1.00 0.00 O ATOM 2060 CB LEU B 136 2.141 -8.270 -5.243 1.00 0.00 C ATOM 2061 CG LEU B 136 0.823 -7.990 -5.982 1.00 0.00 C ATOM 2062 CD1 LEU B 136 1.013 -7.518 -7.407 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.117 -9.190 -6.088 1.00 0.00 C ATOM 0 H LEU B 136 4.600 -9.067 -4.417 1.00 0.00 H new ATOM 0 HA LEU B 136 2.761 -9.785 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU B 136 1.896 -8.788 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU B 136 2.576 -7.309 -4.967 1.00 0.00 H new ATOM 0 HG LEU B 136 0.387 -7.213 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU B 136 0.040 -7.341 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU B 136 1.589 -6.593 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU B 136 1.547 -8.280 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.020 -8.899 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU B 136 0.381 -9.996 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -0.383 -9.533 -5.088 1.00 0.00 H new ATOM 2075 N GLN B 137 4.002 -8.142 -8.123 1.00 0.00 N ATOM 2076 CA GLN B 137 4.840 -7.346 -9.031 1.00 0.00 C ATOM 2077 C GLN B 137 4.086 -6.838 -10.273 1.00 0.00 C ATOM 2078 O GLN B 137 3.039 -7.366 -10.652 1.00 0.00 O ATOM 2079 CB GLN B 137 6.094 -8.150 -9.422 1.00 0.00 C ATOM 2080 CG GLN B 137 5.801 -9.438 -10.210 1.00 0.00 C ATOM 2081 CD GLN B 137 7.081 -10.226 -10.465 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.593 -10.296 -11.576 1.00 0.00 O ATOM 2083 NE2 GLN B 137 7.645 -10.842 -9.449 1.00 0.00 N ATOM 0 H GLN B 137 3.248 -8.637 -8.599 1.00 0.00 H new ATOM 0 HA GLN B 137 5.140 -6.449 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.747 -7.514 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN B 137 6.642 -8.409 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN B 137 5.094 -10.055 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.328 -9.188 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN B 137 7.224 -10.787 -8.522 1.00 0.00 H new ATOM 0 HE22 GLN B 137 8.504 -11.374 -9.588 1.00 0.00 H new ATOM 2092 N GLY B 138 4.654 -5.812 -10.912 1.00 0.00 N ATOM 2093 CA GLY B 138 4.156 -5.165 -12.128 1.00 0.00 C ATOM 2094 C GLY B 138 2.733 -4.610 -12.045 1.00 0.00 C ATOM 2095 O GLY B 138 2.321 -4.112 -11.001 1.00 0.00 O ATOM 0 H GLY B 138 5.519 -5.388 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.831 -4.349 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.199 -5.885 -12.945 1.00 0.00 H new ATOM 2099 N GLU B 139 1.990 -4.632 -13.155 1.00 0.00 N ATOM 2100 CA GLU B 139 0.645 -4.032 -13.245 1.00 0.00 C ATOM 2101 C GLU B 139 -0.354 -4.544 -12.190 1.00 0.00 C ATOM 2102 O GLU B 139 -1.204 -3.774 -11.744 1.00 0.00 O ATOM 2103 CB GLU B 139 0.090 -4.135 -14.676 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.928 -3.015 -14.950 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.450 -3.038 -16.398 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.670 -2.766 -17.342 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.659 -3.315 -16.597 1.00 0.00 O ATOM 0 H GLU B 139 2.301 -5.067 -14.023 1.00 0.00 H new ATOM 0 HA GLU B 139 0.773 -2.977 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.908 -4.072 -15.393 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.384 -5.106 -14.818 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.768 -3.115 -14.262 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.464 -2.049 -14.749 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.240 -5.799 -11.732 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.081 -6.336 -10.648 1.00 0.00 C ATOM 2116 C GLU B 140 -0.981 -5.490 -9.369 1.00 0.00 C ATOM 2117 O GLU B 140 -1.962 -5.421 -8.626 1.00 0.00 O ATOM 2118 CB GLU B 140 -0.770 -7.815 -10.353 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.274 -8.773 -11.444 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.812 -8.756 -11.580 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.516 -9.020 -10.576 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.325 -8.467 -12.686 1.00 0.00 O ATOM 0 H GLU B 140 0.435 -6.470 -12.100 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.110 -6.280 -11.002 1.00 0.00 H new ATOM 0 HB2 GLU B 140 0.307 -7.937 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.222 -8.091 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.825 -8.500 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.944 -9.786 -11.215 1.00 0.00 H new ATOM 2129 N LEU B 141 0.160 -4.823 -9.124 1.00 0.00 N ATOM 2130 CA LEU B 141 0.348 -3.895 -8.005 1.00 0.00 C ATOM 2131 C LEU B 141 -0.676 -2.770 -8.152 1.00 0.00 C ATOM 2132 O LEU B 141 -1.565 -2.618 -7.322 1.00 0.00 O ATOM 2133 CB LEU B 141 1.760 -3.266 -7.996 1.00 0.00 C ATOM 2134 CG LEU B 141 2.943 -4.196 -7.701 1.00 0.00 C ATOM 2135 CD1 LEU B 141 4.237 -3.476 -8.064 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.997 -4.554 -6.222 1.00 0.00 C ATOM 0 H LEU B 141 0.989 -4.918 -9.710 1.00 0.00 H new ATOM 0 HA LEU B 141 0.223 -4.450 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.929 -2.803 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.768 -2.465 -7.256 1.00 0.00 H new ATOM 0 HG LEU B 141 2.821 -5.108 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU B 141 5.086 -4.128 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.225 -3.218 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.326 -2.566 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.844 -5.214 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU B 141 3.111 -3.645 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU B 141 2.075 -5.059 -5.936 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.547 -1.995 -9.233 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.391 -0.848 -9.555 1.00 0.00 C ATOM 2150 C LEU B 142 -2.875 -1.227 -9.563 1.00 0.00 C ATOM 2151 O LEU B 142 -3.671 -0.526 -8.948 1.00 0.00 O ATOM 2152 CB LEU B 142 -0.941 -0.181 -10.866 1.00 0.00 C ATOM 2153 CG LEU B 142 0.568 0.122 -10.997 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.765 1.136 -12.122 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.226 0.704 -9.740 1.00 0.00 C ATOM 0 H LEU B 142 0.177 -2.158 -9.933 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.269 -0.106 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.234 -0.825 -11.695 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.489 0.754 -10.980 1.00 0.00 H new ATOM 0 HG LEU B 142 1.044 -0.840 -11.188 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.826 1.361 -12.227 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.387 0.721 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.222 2.051 -11.886 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.284 0.882 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.742 1.645 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.121 -0.000 -8.915 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.249 -2.349 -10.194 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.620 -2.902 -10.202 1.00 0.00 C ATOM 2169 C ARG B 143 -5.148 -3.085 -8.773 1.00 0.00 C ATOM 2170 O ARG B 143 -6.260 -2.648 -8.470 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.655 -4.223 -10.991 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.417 -4.031 -12.500 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.151 -5.379 -13.181 1.00 0.00 C ATOM 2174 NE ARG B 143 -3.873 -5.234 -14.621 1.00 0.00 N ATOM 2175 CZ ARG B 143 -3.793 -6.203 -15.515 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -3.890 -7.464 -15.208 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -3.595 -5.905 -16.763 1.00 0.00 N ATOM 0 H ARG B 143 -2.591 -2.916 -10.729 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.280 -2.192 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -3.897 -4.898 -10.593 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.621 -4.704 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.286 -3.554 -12.953 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.569 -3.364 -12.658 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -3.305 -5.867 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.015 -6.029 -13.044 1.00 0.00 H new ATOM 0 HE ARG B 143 -3.727 -4.284 -14.964 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.035 -7.743 -14.238 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -3.821 -8.173 -15.938 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.503 -4.929 -17.046 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -3.532 -6.646 -17.461 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.350 -3.695 -7.891 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.675 -3.873 -6.477 1.00 0.00 C ATOM 2193 C ALA B 144 -4.826 -2.519 -5.746 1.00 0.00 C ATOM 2194 O ALA B 144 -5.800 -2.342 -5.016 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.635 -4.791 -5.821 1.00 0.00 C ATOM 0 H ALA B 144 -3.443 -4.085 -8.147 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.648 -4.357 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -3.879 -4.922 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.641 -5.761 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.646 -4.343 -5.911 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.905 -1.562 -5.935 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.975 -0.219 -5.325 1.00 0.00 C ATOM 2203 C LEU B 145 -5.211 0.575 -5.784 1.00 0.00 C ATOM 2204 O LEU B 145 -5.870 1.243 -4.991 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.733 0.640 -5.651 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.343 0.070 -5.339 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.283 1.141 -5.542 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.184 -0.459 -3.926 1.00 0.00 C ATOM 0 H LEU B 145 -3.081 -1.697 -6.521 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.031 -0.408 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.763 0.875 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.832 1.583 -5.113 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.223 -0.769 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.700 0.727 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.305 1.484 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.483 1.981 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.172 -0.842 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.364 0.346 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.902 -1.262 -3.755 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.486 0.565 -7.087 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.537 1.339 -7.750 1.00 0.00 C ATOM 2222 C ASP B 146 -7.969 1.053 -7.282 1.00 0.00 C ATOM 2223 O ASP B 146 -8.832 1.924 -7.409 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.412 1.158 -9.271 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.159 2.255 -10.032 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.753 3.432 -9.870 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.108 1.955 -10.794 1.00 0.00 O ATOM 0 H ASP B 146 -4.957 -0.011 -7.742 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.369 2.377 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.359 1.170 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.807 0.183 -9.556 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.238 -0.134 -6.730 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.567 -0.491 -6.220 1.00 0.00 C ATOM 2234 C GLN B 147 -10.065 0.466 -5.112 1.00 0.00 C ATOM 2235 O GLN B 147 -11.278 0.616 -4.942 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.611 -1.979 -5.833 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.117 -2.268 -4.411 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.956 -3.766 -4.162 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.915 -4.503 -3.966 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.744 -4.274 -4.168 1.00 0.00 N ATOM 0 H GLN B 147 -7.543 -0.873 -6.624 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.288 -0.354 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.635 -2.339 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.005 -2.546 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.162 -1.768 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.821 -1.853 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -6.939 -3.670 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.609 -5.273 -4.011 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.155 1.147 -4.393 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.502 2.167 -3.392 1.00 0.00 C ATOM 2251 C VAL B 148 -10.181 3.341 -4.108 1.00 0.00 C ATOM 2252 O VAL B 148 -9.575 3.975 -4.980 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.282 2.716 -2.625 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.767 3.537 -1.422 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.346 1.653 -2.057 1.00 0.00 C ATOM 0 H VAL B 148 -8.150 1.002 -4.493 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.156 1.688 -2.664 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.729 3.296 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.907 3.927 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.382 4.367 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.357 2.901 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.520 2.137 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.895 1.021 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.954 1.041 -2.870 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.436 3.635 -3.762 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.237 4.705 -4.375 1.00 0.00 C ATOM 2267 C ASN B 149 -13.175 5.432 -3.389 1.00 0.00 C ATOM 2268 O ASN B 149 -13.479 4.875 -2.312 1.00 0.00 O ATOM 2269 CB ASN B 149 -12.996 4.118 -5.586 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.147 3.188 -5.227 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.307 3.573 -5.223 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -13.881 1.934 -4.943 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.577 6.577 -3.700 1.00 0.00 O ATOM 0 H ASN B 149 -11.937 3.127 -3.033 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.556 5.487 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.385 4.940 -6.187 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.289 3.573 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.640 1.289 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -12.916 1.605 -4.944 1.00 0.00 H new TER 2280 ASN B 149 HETATM 2281 ZN ZN A 96 -0.472 12.382 -1.459 1.00 0.00 ZN HETATM 2282 ZN ZN A 97 13.285 -3.473 -6.197 1.00 0.00 ZN HETATM 2283 ZN ZN A 98 -6.275 -8.193 6.485 1.00 0.00 ZN