USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 80 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.908 X(o=0.91,f=0.62) USER MOD Set 2.1: B 15 THR OG1 : rot -75:sc= 1.03 USER MOD Set 2.2: B 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 62 ASN : amide:sc= 0.595 K(o=0.22,f=-0.83) USER MOD Set 3.2: B 65 GLN : amide:sc= -0.376 K(o=0.22,f=-0.83) USER MOD Set 4.1: B 58 SER OG : rot 180:sc= 0.812 USER MOD Set 4.2: B 61 LYS NZ :NH3+ 137:sc= 0.925 (180deg=0) USER MOD Set 5.1: B 47 MET CE :methyl -168:sc= 0 (180deg=-0.318) USER MOD Set 5.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: B 32 LYS NZ :NH3+ 179:sc= 1.15 (180deg=0.363) USER MOD Set 6.2: B 63 SER OG : rot 50:sc= 2.02 USER MOD Set 7.1: B 25 SER OG : rot 143:sc= 1.38 USER MOD Set 7.2: B 28 THR OG1 : rot 115:sc= 1.19 USER MOD Set 8.1: B 18 LYS NZ :NH3+ 178:sc= 0.484 (180deg=0.428) USER MOD Set 8.2: B 19 TYR OH : rot 30:sc= 0 USER MOD Set 9.1: A 80 CYS SG : rot 180:sc= 0.263 USER MOD Set 9.2: A 84 ASN : amide:sc= 0.296 X(o=0.56,f=0.77) USER MOD Set10.1: A 73 SER OG : rot 174:sc= 1.11 USER MOD Set10.2: A 77 THR OG1 : rot 89:sc= 1.99 USER MOD Set10.3: B 12 MET CE :methyl -174:sc= 0 (180deg=-0.0646) USER MOD Set10.4: B 73 SER OG : rot -175:sc= 0.726 USER MOD Set10.5: B 77 THR OG1 : rot 69:sc= 2.2 USER MOD Set11.1: A 62 ASN : amide:sc= 0.841 K(o=1.5,f=0.51) USER MOD Set11.2: A 65 GLN : amide:sc= 0.637 K(o=1.5,f=0.69) USER MOD Set12.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set12.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set13.1: A 47 MET CE :methyl -158:sc=-0.00061 (180deg=-0.0599) USER MOD Set13.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set14.1: A 25 SER OG : rot -174:sc= 1.58 USER MOD Set14.2: A 28 THR OG1 : rot 140:sc= 2.3 USER MOD Set15.1: A 15 THR OG1 : rot 91:sc= -0.372 USER MOD Set15.2: A 72 TYR OH : rot 157:sc= 1.09 USER MOD Set16.1: A 1 MET CE :methyl 149:sc=-0.00234 (180deg=-0.563) USER MOD Set16.2: A 7 LYS NZ :NH3+ 170:sc= 0.631 (180deg=-0.377) USER MOD Set16.3: A 10 THR OG1 : rot -37:sc= 1.86 USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.789 (180deg=-0.707!) USER MOD Single : A 3 THR OG1 : rot 120:sc= 1.08 USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.873 USER MOD Single : A 12 MET CE :methyl -166:sc= 0 (180deg=-0.0263) USER MOD Single : A 14 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 17 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-2.6) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0.99 (180deg=0.107) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -72:sc= 0.76 USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 1.13 (180deg=-0.812) USER MOD Single : A 30 SER OG : rot -112:sc= 1.49 USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= 3.21 (180deg=0.824) USER MOD Single : A 35 LYS NZ :NH3+ 135:sc= -0.247 (180deg=-2.12!) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.739) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.34 (180deg=1.16) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 1.54! (180deg=0.581!) USER MOD Single : A 56 MET CE :methyl -179:sc= -0.111 (180deg=-0.114) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.506) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.858 (180deg=0.56) USER MOD Single : A 63 SER OG : rot 74:sc= 1.09 USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 0.255 (180deg=-0.404!) USER MOD Single : A 78 MET CE :methyl 170:sc= 0 (180deg=-0.14) USER MOD Single : A 81 MET CE :methyl -109:sc= -0.123 (180deg=-2.84!) USER MOD Single : A 91 ASN : amide:sc= 0.522 K(o=0.52,f=0.0017) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 2.47 (180deg=2.27) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -145:sc= 1.31 (180deg=1.07) USER MOD Single : B 3 THR OG1 : rot -108:sc= 1.54 USER MOD Single : B 7 LYS NZ :NH3+ 173:sc= -0.504 (180deg=-0.632) USER MOD Single : B 10 THR OG1 : rot 39:sc= 1.29 USER MOD Single : B 11 THR OG1 : rot 110:sc= 1.23 USER MOD Single : B 14 THR OG1 : rot 99:sc= 1.23 USER MOD Single : B 17 HIS : no HE2:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : B 20 SER OG : rot 154:sc= 0.94 USER MOD Single : B 26 LYS NZ :NH3+ 168:sc= 2.08 (180deg=1.85) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 157:sc= 1.73 (180deg=1.42) USER MOD Single : B 39 LYS NZ :NH3+ 163:sc= 0.814 (180deg=0.495) USER MOD Single : B 40 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.1) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.0216 USER MOD Single : B 48 LYS NZ :NH3+ 147:sc= 1.71 (180deg=0.505) USER MOD Single : B 50 SER OG : rot 60:sc= 1.23 USER MOD Single : B 51 SER OG : rot 180:sc= 0.0057 USER MOD Single : B 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ -146:sc= 2.11 (180deg=0.106!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 91 ASN : amide:sc= 0.245 X(o=0.25,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 143:sc= 1.46 (180deg=0.835) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.755 0.653 20.216 1.00 4.38 N ATOM 2 CA MET A 1 9.519 1.254 19.661 1.00 4.11 C ATOM 3 C MET A 1 8.753 1.983 20.765 1.00 3.00 C ATOM 4 O MET A 1 8.131 1.343 21.605 1.00 3.83 O ATOM 5 CB MET A 1 8.573 0.256 18.992 1.00 5.80 C ATOM 6 CG MET A 1 9.199 -0.625 17.909 1.00 7.17 C ATOM 7 SD MET A 1 8.069 -1.936 17.375 1.00 9.36 S ATOM 8 CE MET A 1 8.847 -2.391 15.798 1.00 10.94 C ATOM 0 H1 MET A 1 11.538 0.786 19.544 1.00 4.38 H new ATOM 0 H2 MET A 1 10.991 1.114 21.118 1.00 4.38 H new ATOM 0 H3 MET A 1 10.605 -0.364 20.376 1.00 4.38 H new ATOM 0 HA MET A 1 9.856 1.940 18.884 1.00 4.11 H new ATOM 0 HB2 MET A 1 8.152 -0.390 19.762 1.00 5.80 H new ATOM 0 HB3 MET A 1 7.744 0.809 18.551 1.00 5.80 H new ATOM 0 HG2 MET A 1 9.473 -0.009 17.052 1.00 7.17 H new ATOM 0 HG3 MET A 1 10.119 -1.070 18.289 1.00 7.17 H new ATOM 0 HE1 MET A 1 8.678 -3.450 15.601 1.00 10.94 H new ATOM 0 HE2 MET A 1 8.412 -1.798 14.993 1.00 10.94 H new ATOM 0 HE3 MET A 1 9.919 -2.199 15.852 1.00 10.94 H new ATOM 17 N GLU A 2 8.797 3.313 20.743 1.00 1.88 N ATOM 18 CA GLU A 2 8.551 4.179 21.902 1.00 1.47 C ATOM 19 C GLU A 2 8.066 5.582 21.495 1.00 1.21 C ATOM 20 O GLU A 2 7.659 6.359 22.354 1.00 1.74 O ATOM 21 CB GLU A 2 9.831 4.287 22.771 1.00 2.37 C ATOM 22 CG GLU A 2 11.139 4.652 22.034 1.00 3.60 C ATOM 23 CD GLU A 2 11.638 3.477 21.197 1.00 4.20 C ATOM 24 OE1 GLU A 2 12.004 2.437 21.783 1.00 4.62 O ATOM 25 OE2 GLU A 2 11.339 3.446 19.979 1.00 4.88 O ATOM 0 H GLU A 2 9.011 3.837 19.895 1.00 1.88 H new ATOM 0 HA GLU A 2 7.753 3.718 22.484 1.00 1.47 H new ATOM 0 HB2 GLU A 2 9.656 5.035 23.544 1.00 2.37 H new ATOM 0 HB3 GLU A 2 9.980 3.334 23.278 1.00 2.37 H new ATOM 0 HG2 GLU A 2 10.970 5.516 21.391 1.00 3.60 H new ATOM 0 HG3 GLU A 2 11.902 4.938 22.758 1.00 3.60 H new ATOM 32 N THR A 3 8.081 5.903 20.194 1.00 0.82 N ATOM 33 CA THR A 3 7.617 7.192 19.659 1.00 0.81 C ATOM 34 C THR A 3 6.385 6.965 18.783 1.00 0.92 C ATOM 35 O THR A 3 6.230 5.850 18.267 1.00 0.98 O ATOM 36 CB THR A 3 8.727 7.933 18.899 1.00 0.94 C ATOM 37 OG1 THR A 3 8.773 7.508 17.558 1.00 1.14 O ATOM 38 CG2 THR A 3 10.110 7.793 19.536 1.00 1.23 C ATOM 0 H THR A 3 8.420 5.266 19.473 1.00 0.82 H new ATOM 0 HA THR A 3 7.341 7.836 20.494 1.00 0.81 H new ATOM 0 HB THR A 3 8.468 8.991 18.949 1.00 0.94 H new ATOM 0 HG1 THR A 3 8.608 8.272 16.967 1.00 1.14 H new ATOM 0 HG21 THR A 3 10.841 8.343 18.943 1.00 1.23 H new ATOM 0 HG22 THR A 3 10.087 8.196 20.548 1.00 1.23 H new ATOM 0 HG23 THR A 3 10.390 6.740 19.571 1.00 1.23 H new ATOM 46 N PRO A 4 5.507 7.975 18.591 1.00 1.12 N ATOM 47 CA PRO A 4 4.246 7.784 17.885 1.00 1.32 C ATOM 48 C PRO A 4 4.477 7.440 16.411 1.00 1.17 C ATOM 49 O PRO A 4 3.876 6.482 15.926 1.00 1.17 O ATOM 50 CB PRO A 4 3.456 9.083 18.072 1.00 1.68 C ATOM 51 CG PRO A 4 4.531 10.135 18.334 1.00 1.65 C ATOM 52 CD PRO A 4 5.612 9.347 19.076 1.00 1.33 C ATOM 0 HA PRO A 4 3.686 6.939 18.284 1.00 1.32 H new ATOM 0 HB2 PRO A 4 2.869 9.324 17.186 1.00 1.68 H new ATOM 0 HB3 PRO A 4 2.758 9.009 18.906 1.00 1.68 H new ATOM 0 HG2 PRO A 4 4.910 10.564 17.406 1.00 1.65 H new ATOM 0 HG3 PRO A 4 4.150 10.961 18.935 1.00 1.65 H new ATOM 0 HD2 PRO A 4 6.602 9.758 18.876 1.00 1.33 H new ATOM 0 HD3 PRO A 4 5.459 9.393 20.154 1.00 1.33 H new ATOM 60 N LEU A 5 5.370 8.158 15.712 1.00 1.10 N ATOM 61 CA LEU A 5 5.599 7.929 14.288 1.00 1.05 C ATOM 62 C LEU A 5 6.174 6.532 14.004 1.00 0.89 C ATOM 63 O LEU A 5 5.726 5.903 13.048 1.00 0.95 O ATOM 64 CB LEU A 5 6.467 9.063 13.715 1.00 1.13 C ATOM 65 CG LEU A 5 6.741 8.956 12.198 1.00 1.26 C ATOM 66 CD1 LEU A 5 5.443 8.902 11.376 1.00 1.52 C ATOM 67 CD2 LEU A 5 7.591 10.165 11.767 1.00 2.25 C ATOM 0 H LEU A 5 5.942 8.900 16.115 1.00 1.10 H new ATOM 0 HA LEU A 5 4.638 7.947 13.774 1.00 1.05 H new ATOM 0 HB2 LEU A 5 5.977 10.016 13.917 1.00 1.13 H new ATOM 0 HB3 LEU A 5 7.420 9.076 14.244 1.00 1.13 H new ATOM 0 HG LEU A 5 7.275 8.025 12.008 1.00 1.26 H new ATOM 0 HD11 LEU A 5 5.686 8.827 10.316 1.00 1.52 H new ATOM 0 HD12 LEU A 5 4.858 8.033 11.676 1.00 1.52 H new ATOM 0 HD13 LEU A 5 4.863 9.808 11.552 1.00 1.52 H new ATOM 0 HD21 LEU A 5 7.794 10.105 10.698 1.00 2.25 H new ATOM 0 HD22 LEU A 5 7.049 11.086 11.982 1.00 2.25 H new ATOM 0 HD23 LEU A 5 8.533 10.162 12.315 1.00 2.25 H new ATOM 79 N GLU A 6 7.063 6.003 14.855 1.00 0.81 N ATOM 80 CA GLU A 6 7.538 4.617 14.731 1.00 0.87 C ATOM 81 C GLU A 6 6.363 3.640 14.788 1.00 0.96 C ATOM 82 O GLU A 6 6.311 2.703 14.003 1.00 1.11 O ATOM 83 CB GLU A 6 8.614 4.293 15.788 1.00 0.99 C ATOM 84 CG GLU A 6 8.890 2.795 16.051 1.00 1.37 C ATOM 85 CD GLU A 6 8.995 1.898 14.807 1.00 2.69 C ATOM 86 OE1 GLU A 6 9.566 2.348 13.794 1.00 3.67 O ATOM 87 OE2 GLU A 6 8.458 0.765 14.885 1.00 3.72 O ATOM 0 H GLU A 6 7.469 6.514 15.639 1.00 0.81 H new ATOM 0 HA GLU A 6 8.014 4.504 13.757 1.00 0.87 H new ATOM 0 HB2 GLU A 6 9.548 4.764 15.480 1.00 0.99 H new ATOM 0 HB3 GLU A 6 8.319 4.756 16.729 1.00 0.99 H new ATOM 0 HG2 GLU A 6 9.820 2.711 16.614 1.00 1.37 H new ATOM 0 HG3 GLU A 6 8.095 2.406 16.688 1.00 1.37 H new ATOM 94 N LYS A 7 5.334 3.861 15.620 1.00 0.98 N ATOM 95 CA LYS A 7 4.195 2.930 15.622 1.00 1.13 C ATOM 96 C LYS A 7 3.468 2.848 14.262 1.00 1.09 C ATOM 97 O LYS A 7 2.854 1.813 13.972 1.00 1.21 O ATOM 98 CB LYS A 7 3.234 3.180 16.798 1.00 1.34 C ATOM 99 CG LYS A 7 3.871 3.394 18.183 1.00 1.64 C ATOM 100 CD LYS A 7 5.060 2.503 18.599 1.00 2.28 C ATOM 101 CE LYS A 7 4.715 1.035 18.896 1.00 2.69 C ATOM 102 NZ LYS A 7 4.515 0.222 17.673 1.00 3.69 N ATOM 0 H LYS A 7 5.265 4.641 16.274 1.00 0.98 H new ATOM 0 HA LYS A 7 4.623 1.940 15.779 1.00 1.13 H new ATOM 0 HB2 LYS A 7 2.631 4.057 16.563 1.00 1.34 H new ATOM 0 HB3 LYS A 7 2.552 2.332 16.865 1.00 1.34 H new ATOM 0 HG2 LYS A 7 4.201 4.431 18.238 1.00 1.64 H new ATOM 0 HG3 LYS A 7 3.087 3.269 18.930 1.00 1.64 H new ATOM 0 HD2 LYS A 7 5.806 2.529 17.805 1.00 2.28 H new ATOM 0 HD3 LYS A 7 5.523 2.936 19.486 1.00 2.28 H new ATOM 0 HE2 LYS A 7 5.515 0.594 19.491 1.00 2.69 H new ATOM 0 HE3 LYS A 7 3.810 0.997 19.502 1.00 2.69 H new ATOM 0 HZ1 LYS A 7 4.454 -0.784 17.931 1.00 3.69 H new ATOM 0 HZ2 LYS A 7 3.634 0.513 17.203 1.00 3.69 H new ATOM 0 HZ3 LYS A 7 5.316 0.365 17.026 1.00 3.69 H new ATOM 116 N ALA A 8 3.597 3.869 13.402 1.00 0.95 N ATOM 117 CA ALA A 8 3.173 3.804 12.005 1.00 0.90 C ATOM 118 C ALA A 8 4.053 2.858 11.168 1.00 0.72 C ATOM 119 O ALA A 8 3.529 1.981 10.475 1.00 0.73 O ATOM 120 CB ALA A 8 3.193 5.215 11.398 1.00 1.03 C ATOM 0 H ALA A 8 4.002 4.768 13.663 1.00 0.95 H new ATOM 0 HA ALA A 8 2.161 3.401 11.985 1.00 0.90 H new ATOM 0 HB1 ALA A 8 2.877 5.167 10.356 1.00 1.03 H new ATOM 0 HB2 ALA A 8 2.513 5.860 11.954 1.00 1.03 H new ATOM 0 HB3 ALA A 8 4.203 5.620 11.452 1.00 1.03 H new ATOM 126 N LEU A 9 5.381 2.992 11.271 1.00 0.66 N ATOM 127 CA LEU A 9 6.340 2.130 10.576 1.00 0.67 C ATOM 128 C LEU A 9 6.254 0.679 11.077 1.00 0.71 C ATOM 129 O LEU A 9 6.149 -0.206 10.225 1.00 0.75 O ATOM 130 CB LEU A 9 7.770 2.712 10.658 1.00 0.69 C ATOM 131 CG LEU A 9 8.090 3.944 9.772 1.00 0.72 C ATOM 132 CD1 LEU A 9 7.698 3.730 8.301 1.00 0.99 C ATOM 133 CD2 LEU A 9 7.472 5.254 10.291 1.00 1.08 C ATOM 0 H LEU A 9 5.823 3.710 11.846 1.00 0.66 H new ATOM 0 HA LEU A 9 6.075 2.104 9.519 1.00 0.67 H new ATOM 0 HB2 LEU A 9 7.964 2.983 11.696 1.00 0.69 H new ATOM 0 HB3 LEU A 9 8.472 1.919 10.399 1.00 0.69 H new ATOM 0 HG LEU A 9 9.173 4.047 9.833 1.00 0.72 H new ATOM 0 HD11 LEU A 9 7.944 4.623 7.725 1.00 0.99 H new ATOM 0 HD12 LEU A 9 8.245 2.877 7.899 1.00 0.99 H new ATOM 0 HD13 LEU A 9 6.627 3.538 8.234 1.00 0.99 H new ATOM 0 HD21 LEU A 9 7.738 6.072 9.621 1.00 1.08 H new ATOM 0 HD22 LEU A 9 6.387 5.154 10.329 1.00 1.08 H new ATOM 0 HD23 LEU A 9 7.853 5.465 11.290 1.00 1.08 H new ATOM 145 N THR A 10 6.149 0.434 12.402 1.00 0.77 N ATOM 146 CA THR A 10 5.826 -0.881 13.008 1.00 0.93 C ATOM 147 C THR A 10 4.701 -1.571 12.247 1.00 0.80 C ATOM 148 O THR A 10 4.820 -2.740 11.885 1.00 0.86 O ATOM 149 CB THR A 10 5.316 -0.773 14.459 1.00 1.31 C ATOM 150 OG1 THR A 10 6.085 -0.009 15.351 1.00 1.79 O ATOM 151 CG2 THR A 10 5.141 -2.164 15.074 1.00 1.56 C ATOM 0 H THR A 10 6.290 1.164 13.100 1.00 0.77 H new ATOM 0 HA THR A 10 6.764 -1.436 12.972 1.00 0.93 H new ATOM 0 HB THR A 10 4.374 -0.238 14.341 1.00 1.31 H new ATOM 0 HG1 THR A 10 7.037 -0.135 15.154 1.00 1.79 H new ATOM 0 HG21 THR A 10 4.780 -2.066 16.098 1.00 1.56 H new ATOM 0 HG22 THR A 10 4.419 -2.733 14.488 1.00 1.56 H new ATOM 0 HG23 THR A 10 6.099 -2.685 15.075 1.00 1.56 H new ATOM 159 N THR A 11 3.597 -0.845 12.025 1.00 0.75 N ATOM 160 CA THR A 11 2.403 -1.346 11.337 1.00 0.76 C ATOM 161 C THR A 11 2.773 -1.735 9.914 1.00 0.61 C ATOM 162 O THR A 11 2.574 -2.888 9.538 1.00 0.56 O ATOM 163 CB THR A 11 1.281 -0.296 11.373 1.00 0.86 C ATOM 164 OG1 THR A 11 0.969 0.088 12.698 1.00 1.17 O ATOM 165 CG2 THR A 11 0.004 -0.853 10.762 1.00 1.00 C ATOM 0 H THR A 11 3.509 0.126 12.325 1.00 0.75 H new ATOM 0 HA THR A 11 2.026 -2.232 11.847 1.00 0.76 H new ATOM 0 HB THR A 11 1.645 0.562 10.808 1.00 0.86 H new ATOM 0 HG1 THR A 11 1.674 0.674 13.043 1.00 1.17 H new ATOM 0 HG21 THR A 11 -0.777 -0.094 10.797 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.189 -1.135 9.726 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.316 -1.730 11.325 1.00 1.00 H new ATOM 173 N MET A 12 3.380 -0.817 9.154 1.00 0.60 N ATOM 174 CA MET A 12 3.784 -1.065 7.760 1.00 0.53 C ATOM 175 C MET A 12 4.754 -2.238 7.608 1.00 0.55 C ATOM 176 O MET A 12 4.584 -3.019 6.668 1.00 0.54 O ATOM 177 CB MET A 12 4.386 0.201 7.122 1.00 0.55 C ATOM 178 CG MET A 12 3.346 0.974 6.310 1.00 0.91 C ATOM 179 SD MET A 12 3.972 2.545 5.670 1.00 1.07 S ATOM 180 CE MET A 12 2.476 3.171 4.869 1.00 0.88 C ATOM 0 H MET A 12 3.607 0.121 9.486 1.00 0.60 H new ATOM 0 HA MET A 12 2.870 -1.337 7.232 1.00 0.53 H new ATOM 0 HB2 MET A 12 4.790 0.845 7.903 1.00 0.55 H new ATOM 0 HB3 MET A 12 5.219 -0.078 6.476 1.00 0.55 H new ATOM 0 HG2 MET A 12 3.012 0.356 5.477 1.00 0.91 H new ATOM 0 HG3 MET A 12 2.474 1.165 6.935 1.00 0.91 H new ATOM 0 HE1 MET A 12 2.735 4.004 4.215 1.00 0.88 H new ATOM 0 HE2 MET A 12 2.018 2.376 4.281 1.00 0.88 H new ATOM 0 HE3 MET A 12 1.772 3.511 5.628 1.00 0.88 H new ATOM 190 N VAL A 13 5.742 -2.377 8.498 1.00 0.67 N ATOM 191 CA VAL A 13 6.714 -3.488 8.436 1.00 0.77 C ATOM 192 C VAL A 13 6.073 -4.831 8.796 1.00 0.76 C ATOM 193 O VAL A 13 6.425 -5.845 8.192 1.00 0.79 O ATOM 194 CB VAL A 13 8.004 -3.261 9.264 1.00 0.95 C ATOM 195 CG1 VAL A 13 8.789 -2.036 8.758 1.00 1.03 C ATOM 196 CG2 VAL A 13 7.803 -3.163 10.778 1.00 1.02 C ATOM 0 H VAL A 13 5.895 -1.734 9.275 1.00 0.67 H new ATOM 0 HA VAL A 13 7.028 -3.515 7.393 1.00 0.77 H new ATOM 0 HB VAL A 13 8.583 -4.170 9.103 1.00 0.95 H new ATOM 0 HG11 VAL A 13 9.688 -1.906 9.361 1.00 1.03 H new ATOM 0 HG12 VAL A 13 9.070 -2.189 7.716 1.00 1.03 H new ATOM 0 HG13 VAL A 13 8.166 -1.146 8.839 1.00 1.03 H new ATOM 0 HG21 VAL A 13 8.766 -3.004 11.263 1.00 1.02 H new ATOM 0 HG22 VAL A 13 7.141 -2.327 11.004 1.00 1.02 H new ATOM 0 HG23 VAL A 13 7.359 -4.088 11.147 1.00 1.02 H new ATOM 206 N THR A 14 5.091 -4.849 9.714 1.00 0.76 N ATOM 207 CA THR A 14 4.367 -6.072 10.106 1.00 0.80 C ATOM 208 C THR A 14 3.564 -6.622 8.933 1.00 0.71 C ATOM 209 O THR A 14 3.687 -7.803 8.610 1.00 0.82 O ATOM 210 CB THR A 14 3.464 -5.797 11.311 1.00 0.93 C ATOM 211 OG1 THR A 14 4.265 -5.361 12.376 1.00 1.08 O ATOM 212 CG2 THR A 14 2.743 -7.060 11.784 1.00 1.28 C ATOM 0 H THR A 14 4.776 -4.013 10.207 1.00 0.76 H new ATOM 0 HA THR A 14 5.097 -6.828 10.396 1.00 0.80 H new ATOM 0 HB THR A 14 2.726 -5.054 11.010 1.00 0.93 H new ATOM 0 HG1 THR A 14 4.443 -4.402 12.280 1.00 1.08 H new ATOM 0 HG21 THR A 14 2.113 -6.820 12.641 1.00 1.28 H new ATOM 0 HG22 THR A 14 2.124 -7.450 10.976 1.00 1.28 H new ATOM 0 HG23 THR A 14 3.478 -7.812 12.073 1.00 1.28 H new ATOM 220 N THR A 15 2.780 -5.769 8.273 1.00 0.62 N ATOM 221 CA THR A 15 1.924 -6.153 7.143 1.00 0.59 C ATOM 222 C THR A 15 2.716 -6.439 5.875 1.00 0.58 C ATOM 223 O THR A 15 2.315 -7.319 5.128 1.00 0.76 O ATOM 224 CB THR A 15 0.869 -5.086 6.887 1.00 0.59 C ATOM 225 OG1 THR A 15 1.531 -3.857 6.749 1.00 1.21 O ATOM 226 CG2 THR A 15 -0.113 -4.988 8.050 1.00 0.91 C ATOM 0 H THR A 15 2.719 -4.779 8.509 1.00 0.62 H new ATOM 0 HA THR A 15 1.431 -7.084 7.422 1.00 0.59 H new ATOM 0 HB THR A 15 0.307 -5.344 5.989 1.00 0.59 H new ATOM 0 HG1 THR A 15 1.754 -3.710 5.806 1.00 1.21 H new ATOM 0 HG21 THR A 15 -0.854 -4.217 7.837 1.00 0.91 H new ATOM 0 HG22 THR A 15 -0.615 -5.946 8.184 1.00 0.91 H new ATOM 0 HG23 THR A 15 0.427 -4.730 8.961 1.00 0.91 H new ATOM 234 N PHE A 16 3.853 -5.784 5.637 1.00 0.54 N ATOM 235 CA PHE A 16 4.727 -6.116 4.510 1.00 0.57 C ATOM 236 C PHE A 16 5.444 -7.458 4.713 1.00 0.61 C ATOM 237 O PHE A 16 5.574 -8.238 3.766 1.00 0.69 O ATOM 238 CB PHE A 16 5.748 -4.989 4.321 1.00 0.63 C ATOM 239 CG PHE A 16 6.640 -5.129 3.101 1.00 0.64 C ATOM 240 CD1 PHE A 16 6.250 -4.559 1.877 1.00 1.61 C ATOM 241 CD2 PHE A 16 7.876 -5.799 3.193 1.00 1.85 C ATOM 242 CE1 PHE A 16 7.117 -4.596 0.771 1.00 1.60 C ATOM 243 CE2 PHE A 16 8.722 -5.876 2.076 1.00 1.87 C ATOM 244 CZ PHE A 16 8.348 -5.260 0.864 1.00 0.69 C ATOM 0 H PHE A 16 4.192 -5.015 6.214 1.00 0.54 H new ATOM 0 HA PHE A 16 4.111 -6.217 3.616 1.00 0.57 H new ATOM 0 HB2 PHE A 16 5.213 -4.042 4.254 1.00 0.63 H new ATOM 0 HB3 PHE A 16 6.378 -4.937 5.209 1.00 0.63 H new ATOM 0 HD1 PHE A 16 5.281 -4.091 1.786 1.00 1.61 H new ATOM 0 HD2 PHE A 16 8.173 -6.255 4.126 1.00 1.85 H new ATOM 0 HE1 PHE A 16 6.834 -4.112 -0.152 1.00 1.60 H new ATOM 0 HE2 PHE A 16 9.660 -6.407 2.145 1.00 1.87 H new ATOM 0 HZ PHE A 16 9.008 -5.300 0.010 1.00 0.69 H new ATOM 254 N HIS A 17 5.895 -7.762 5.937 1.00 0.65 N ATOM 255 CA HIS A 17 6.461 -9.077 6.268 1.00 0.71 C ATOM 256 C HIS A 17 5.410 -10.202 6.167 1.00 0.74 C ATOM 257 O HIS A 17 5.760 -11.339 5.851 1.00 0.85 O ATOM 258 CB HIS A 17 7.147 -9.027 7.642 1.00 0.81 C ATOM 259 CG HIS A 17 8.055 -10.212 7.894 1.00 1.04 C ATOM 260 ND1 HIS A 17 7.691 -11.539 7.870 1.00 1.85 N ATOM 261 CD2 HIS A 17 9.408 -10.177 8.109 1.00 1.49 C ATOM 262 CE1 HIS A 17 8.789 -12.283 8.085 1.00 2.10 C ATOM 263 NE2 HIS A 17 9.862 -11.496 8.250 1.00 1.72 N ATOM 0 H HIS A 17 5.878 -7.109 6.721 1.00 0.65 H new ATOM 0 HA HIS A 17 7.222 -9.321 5.527 1.00 0.71 H new ATOM 0 HB2 HIS A 17 7.728 -8.108 7.718 1.00 0.81 H new ATOM 0 HB3 HIS A 17 6.385 -8.988 8.421 1.00 0.81 H new ATOM 0 HD1 HIS A 17 6.748 -11.897 7.715 1.00 1.85 H new ATOM 0 HD2 HIS A 17 10.019 -9.288 8.161 1.00 1.49 H new ATOM 0 HE1 HIS A 17 8.805 -13.362 8.120 1.00 2.10 H new ATOM 272 N LYS A 18 4.116 -9.905 6.353 1.00 0.75 N ATOM 273 CA LYS A 18 3.017 -10.867 6.168 1.00 0.87 C ATOM 274 C LYS A 18 2.956 -11.463 4.741 1.00 0.74 C ATOM 275 O LYS A 18 2.426 -12.560 4.571 1.00 0.89 O ATOM 276 CB LYS A 18 1.695 -10.165 6.537 1.00 1.04 C ATOM 277 CG LYS A 18 0.555 -11.128 6.898 1.00 1.39 C ATOM 278 CD LYS A 18 -0.742 -10.341 7.136 1.00 2.18 C ATOM 279 CE LYS A 18 -1.829 -11.242 7.734 1.00 2.44 C ATOM 280 NZ LYS A 18 -3.079 -10.483 7.951 1.00 3.30 N ATOM 0 H LYS A 18 3.798 -8.979 6.640 1.00 0.75 H new ATOM 0 HA LYS A 18 3.194 -11.719 6.824 1.00 0.87 H new ATOM 0 HB2 LYS A 18 1.873 -9.497 7.380 1.00 1.04 H new ATOM 0 HB3 LYS A 18 1.380 -9.543 5.699 1.00 1.04 H new ATOM 0 HG2 LYS A 18 0.410 -11.850 6.094 1.00 1.39 H new ATOM 0 HG3 LYS A 18 0.816 -11.694 7.792 1.00 1.39 H new ATOM 0 HD2 LYS A 18 -0.547 -9.506 7.808 1.00 2.18 H new ATOM 0 HD3 LYS A 18 -1.093 -9.918 6.195 1.00 2.18 H new ATOM 0 HE2 LYS A 18 -2.020 -12.082 7.066 1.00 2.44 H new ATOM 0 HE3 LYS A 18 -1.483 -11.659 8.680 1.00 2.44 H new ATOM 0 HZ1 LYS A 18 -3.709 -11.023 8.578 1.00 3.30 H new ATOM 0 HZ2 LYS A 18 -2.857 -9.566 8.390 1.00 3.30 H new ATOM 0 HZ3 LYS A 18 -3.552 -10.325 7.038 1.00 3.30 H new ATOM 294 N TYR A 19 3.489 -10.758 3.735 1.00 0.58 N ATOM 295 CA TYR A 19 3.467 -11.157 2.322 1.00 0.59 C ATOM 296 C TYR A 19 4.850 -11.348 1.675 1.00 0.67 C ATOM 297 O TYR A 19 4.989 -12.221 0.825 1.00 1.12 O ATOM 298 CB TYR A 19 2.685 -10.103 1.542 1.00 0.55 C ATOM 299 CG TYR A 19 1.206 -10.078 1.859 1.00 0.54 C ATOM 300 CD1 TYR A 19 0.299 -10.935 1.202 1.00 1.93 C ATOM 301 CD2 TYR A 19 0.736 -9.200 2.845 1.00 1.88 C ATOM 302 CE1 TYR A 19 -1.072 -10.897 1.522 1.00 2.03 C ATOM 303 CE2 TYR A 19 -0.625 -9.165 3.181 1.00 1.86 C ATOM 304 CZ TYR A 19 -1.535 -10.009 2.517 1.00 0.72 C ATOM 305 OH TYR A 19 -2.852 -9.976 2.849 1.00 0.89 O ATOM 0 H TYR A 19 3.962 -9.867 3.887 1.00 0.58 H new ATOM 0 HA TYR A 19 2.996 -12.139 2.286 1.00 0.59 H new ATOM 0 HB2 TYR A 19 3.108 -9.121 1.753 1.00 0.55 H new ATOM 0 HB3 TYR A 19 2.815 -10.284 0.475 1.00 0.55 H new ATOM 0 HD1 TYR A 19 0.657 -11.623 0.451 1.00 1.93 H new ATOM 0 HD2 TYR A 19 1.429 -8.544 3.351 1.00 1.88 H new ATOM 0 HE1 TYR A 19 -1.767 -11.545 1.008 1.00 2.03 H new ATOM 0 HE2 TYR A 19 -0.975 -8.491 3.949 1.00 1.86 H new ATOM 0 HH TYR A 19 -2.996 -9.309 3.552 1.00 0.89 H new ATOM 315 N SER A 20 5.886 -10.618 2.084 1.00 0.70 N ATOM 316 CA SER A 20 7.269 -10.931 1.670 1.00 0.69 C ATOM 317 C SER A 20 7.741 -12.248 2.310 1.00 0.78 C ATOM 318 O SER A 20 8.290 -13.117 1.635 1.00 1.29 O ATOM 319 CB SER A 20 8.218 -9.766 2.004 1.00 0.78 C ATOM 320 OG SER A 20 8.085 -9.281 3.333 1.00 1.64 O ATOM 0 H SER A 20 5.804 -9.808 2.699 1.00 0.70 H new ATOM 0 HA SER A 20 7.284 -11.064 0.588 1.00 0.69 H new ATOM 0 HB2 SER A 20 9.247 -10.091 1.847 1.00 0.78 H new ATOM 0 HB3 SER A 20 8.033 -8.948 1.308 1.00 0.78 H new ATOM 0 HG SER A 20 7.242 -8.788 3.419 1.00 1.64 H new ATOM 326 N GLY A 21 7.402 -12.478 3.590 1.00 0.91 N ATOM 327 CA GLY A 21 7.790 -13.663 4.370 1.00 1.14 C ATOM 328 C GLY A 21 7.150 -14.993 3.947 1.00 1.22 C ATOM 329 O GLY A 21 7.306 -15.975 4.667 1.00 1.65 O ATOM 0 H GLY A 21 6.833 -11.823 4.126 1.00 0.91 H new ATOM 0 HA2 GLY A 21 8.873 -13.771 4.313 1.00 1.14 H new ATOM 0 HA3 GLY A 21 7.542 -13.481 5.416 1.00 1.14 H new ATOM 332 N ARG A 22 6.449 -15.040 2.804 1.00 1.26 N ATOM 333 CA ARG A 22 6.011 -16.269 2.115 1.00 1.46 C ATOM 334 C ARG A 22 6.612 -16.420 0.697 1.00 2.08 C ATOM 335 O ARG A 22 6.252 -17.354 -0.013 1.00 2.90 O ATOM 336 CB ARG A 22 4.473 -16.361 2.089 1.00 1.63 C ATOM 337 CG ARG A 22 3.813 -15.075 1.574 1.00 1.89 C ATOM 338 CD ARG A 22 2.456 -15.271 0.903 1.00 1.93 C ATOM 339 NE ARG A 22 1.538 -16.171 1.632 1.00 2.46 N ATOM 340 CZ ARG A 22 0.345 -16.569 1.191 1.00 3.28 C ATOM 341 NH1 ARG A 22 -0.196 -16.064 0.106 1.00 3.61 N ATOM 342 NH2 ARG A 22 -0.336 -17.487 1.848 1.00 4.51 N ATOM 0 H ARG A 22 6.160 -14.193 2.314 1.00 1.26 H new ATOM 0 HA ARG A 22 6.399 -17.107 2.693 1.00 1.46 H new ATOM 0 HB2 ARG A 22 4.173 -17.197 1.457 1.00 1.63 H new ATOM 0 HB3 ARG A 22 4.109 -16.575 3.094 1.00 1.63 H new ATOM 0 HG2 ARG A 22 3.692 -14.386 2.410 1.00 1.89 H new ATOM 0 HG3 ARG A 22 4.488 -14.598 0.863 1.00 1.89 H new ATOM 0 HD2 ARG A 22 1.977 -14.299 0.789 1.00 1.93 H new ATOM 0 HD3 ARG A 22 2.614 -15.668 -0.100 1.00 1.93 H new ATOM 0 HE ARG A 22 1.841 -16.514 2.543 1.00 2.46 H new ATOM 0 HH11 ARG A 22 0.299 -15.347 -0.424 1.00 3.61 H new ATOM 0 HH12 ARG A 22 -1.111 -16.389 -0.206 1.00 3.61 H new ATOM 0 HH21 ARG A 22 0.050 -17.897 2.699 1.00 4.51 H new ATOM 0 HH22 ARG A 22 -1.249 -17.788 1.506 1.00 4.51 H new ATOM 356 N GLU A 23 7.491 -15.507 0.284 1.00 2.03 N ATOM 357 CA GLU A 23 8.213 -15.502 -0.988 1.00 2.76 C ATOM 358 C GLU A 23 9.738 -15.505 -0.716 1.00 2.31 C ATOM 359 O GLU A 23 10.174 -15.779 0.403 1.00 2.65 O ATOM 360 CB GLU A 23 7.753 -14.294 -1.841 1.00 3.70 C ATOM 361 CG GLU A 23 6.275 -14.394 -2.263 1.00 4.73 C ATOM 362 CD GLU A 23 5.849 -13.235 -3.169 1.00 6.10 C ATOM 363 OE1 GLU A 23 6.398 -12.125 -3.028 1.00 7.20 O ATOM 364 OE2 GLU A 23 4.924 -13.413 -3.994 1.00 6.53 O ATOM 0 H GLU A 23 7.732 -14.703 0.863 1.00 2.03 H new ATOM 0 HA GLU A 23 7.988 -16.401 -1.562 1.00 2.76 H new ATOM 0 HB2 GLU A 23 7.903 -13.375 -1.274 1.00 3.70 H new ATOM 0 HB3 GLU A 23 8.377 -14.225 -2.732 1.00 3.70 H new ATOM 0 HG2 GLU A 23 6.111 -15.338 -2.783 1.00 4.73 H new ATOM 0 HG3 GLU A 23 5.646 -14.407 -1.373 1.00 4.73 H new ATOM 371 N GLY A 24 10.573 -15.232 -1.726 1.00 2.46 N ATOM 372 CA GLY A 24 12.029 -15.454 -1.681 1.00 2.42 C ATOM 373 C GLY A 24 12.865 -14.355 -1.010 1.00 2.03 C ATOM 374 O GLY A 24 14.066 -14.289 -1.243 1.00 3.09 O ATOM 0 H GLY A 24 10.254 -14.844 -2.614 1.00 2.46 H new ATOM 0 HA2 GLY A 24 12.216 -16.392 -1.159 1.00 2.42 H new ATOM 0 HA3 GLY A 24 12.387 -15.581 -2.703 1.00 2.42 H new ATOM 377 N SER A 25 12.260 -13.476 -0.211 1.00 1.29 N ATOM 378 CA SER A 25 12.872 -12.222 0.241 1.00 1.09 C ATOM 379 C SER A 25 12.151 -11.635 1.460 1.00 1.08 C ATOM 380 O SER A 25 10.949 -11.815 1.612 1.00 1.57 O ATOM 381 CB SER A 25 12.805 -11.208 -0.906 1.00 1.47 C ATOM 382 OG SER A 25 13.365 -9.948 -0.575 1.00 2.70 O ATOM 0 H SER A 25 11.315 -13.616 0.147 1.00 1.29 H new ATOM 0 HA SER A 25 13.902 -12.432 0.530 1.00 1.09 H new ATOM 0 HB2 SER A 25 13.328 -11.614 -1.772 1.00 1.47 H new ATOM 0 HB3 SER A 25 11.764 -11.070 -1.199 1.00 1.47 H new ATOM 0 HG SER A 25 13.210 -9.318 -1.310 1.00 2.70 H new ATOM 388 N LYS A 26 12.859 -10.891 2.330 1.00 1.15 N ATOM 389 CA LYS A 26 12.229 -10.112 3.406 1.00 1.27 C ATOM 390 C LYS A 26 12.372 -8.596 3.156 1.00 1.38 C ATOM 391 O LYS A 26 12.036 -7.787 4.014 1.00 1.74 O ATOM 392 CB LYS A 26 12.775 -10.603 4.764 1.00 1.39 C ATOM 393 CG LYS A 26 12.584 -12.130 4.870 1.00 1.35 C ATOM 394 CD LYS A 26 12.669 -12.721 6.276 1.00 1.87 C ATOM 395 CE LYS A 26 13.953 -12.446 7.063 1.00 2.10 C ATOM 396 NZ LYS A 26 15.174 -12.790 6.305 1.00 2.64 N ATOM 0 H LYS A 26 13.876 -10.815 2.306 1.00 1.15 H new ATOM 0 HA LYS A 26 11.152 -10.278 3.424 1.00 1.27 H new ATOM 0 HB2 LYS A 26 13.831 -10.350 4.857 1.00 1.39 H new ATOM 0 HB3 LYS A 26 12.254 -10.103 5.580 1.00 1.39 H new ATOM 0 HG2 LYS A 26 11.611 -12.384 4.449 1.00 1.35 H new ATOM 0 HG3 LYS A 26 13.337 -12.614 4.248 1.00 1.35 H new ATOM 0 HD2 LYS A 26 11.827 -12.342 6.856 1.00 1.87 H new ATOM 0 HD3 LYS A 26 12.542 -13.801 6.199 1.00 1.87 H new ATOM 0 HE2 LYS A 26 13.986 -11.392 7.338 1.00 2.10 H new ATOM 0 HE3 LYS A 26 13.934 -13.017 7.991 1.00 2.10 H new ATOM 0 HZ1 LYS A 26 15.808 -13.355 6.906 1.00 2.64 H new ATOM 0 HZ2 LYS A 26 14.915 -13.340 5.461 1.00 2.64 H new ATOM 0 HZ3 LYS A 26 15.659 -11.917 6.014 1.00 2.64 H new ATOM 410 N LEU A 27 12.883 -8.205 1.974 1.00 1.26 N ATOM 411 CA LEU A 27 13.024 -6.825 1.476 1.00 1.42 C ATOM 412 C LEU A 27 11.988 -6.483 0.397 1.00 0.98 C ATOM 413 O LEU A 27 11.579 -5.325 0.287 1.00 0.89 O ATOM 414 CB LEU A 27 14.410 -6.653 0.820 1.00 1.93 C ATOM 415 CG LEU A 27 15.651 -6.652 1.725 1.00 2.65 C ATOM 416 CD1 LEU A 27 15.614 -5.487 2.726 1.00 2.53 C ATOM 417 CD2 LEU A 27 15.882 -8.000 2.424 1.00 3.67 C ATOM 0 H LEU A 27 13.230 -8.887 1.300 1.00 1.26 H new ATOM 0 HA LEU A 27 12.885 -6.170 2.336 1.00 1.42 H new ATOM 0 HB2 LEU A 27 14.533 -7.452 0.089 1.00 1.93 H new ATOM 0 HB3 LEU A 27 14.401 -5.714 0.267 1.00 1.93 H new ATOM 0 HG LEU A 27 16.511 -6.501 1.072 1.00 2.65 H new ATOM 0 HD11 LEU A 27 16.507 -5.516 3.351 1.00 2.53 H new ATOM 0 HD12 LEU A 27 15.581 -4.542 2.184 1.00 2.53 H new ATOM 0 HD13 LEU A 27 14.728 -5.575 3.355 1.00 2.53 H new ATOM 0 HD21 LEU A 27 16.773 -7.938 3.049 1.00 3.67 H new ATOM 0 HD22 LEU A 27 15.019 -8.241 3.045 1.00 3.67 H new ATOM 0 HD23 LEU A 27 16.019 -8.780 1.675 1.00 3.67 H new ATOM 429 N THR A 28 11.619 -7.487 -0.409 1.00 0.91 N ATOM 430 CA THR A 28 10.761 -7.405 -1.597 1.00 0.72 C ATOM 431 C THR A 28 9.584 -8.384 -1.524 1.00 0.71 C ATOM 432 O THR A 28 9.585 -9.286 -0.686 1.00 0.89 O ATOM 433 CB THR A 28 11.572 -7.643 -2.888 1.00 0.73 C ATOM 434 OG1 THR A 28 12.382 -8.797 -2.798 1.00 0.88 O ATOM 435 CG2 THR A 28 12.511 -6.484 -3.217 1.00 0.96 C ATOM 0 H THR A 28 11.933 -8.442 -0.236 1.00 0.91 H new ATOM 0 HA THR A 28 10.354 -6.394 -1.621 1.00 0.72 H new ATOM 0 HB THR A 28 10.818 -7.752 -3.668 1.00 0.73 H new ATOM 0 HG1 THR A 28 12.364 -9.277 -3.652 1.00 0.88 H new ATOM 0 HG21 THR A 28 13.056 -6.706 -4.135 1.00 0.96 H new ATOM 0 HG22 THR A 28 11.930 -5.572 -3.352 1.00 0.96 H new ATOM 0 HG23 THR A 28 13.219 -6.346 -2.400 1.00 0.96 H new ATOM 443 N LEU A 29 8.603 -8.219 -2.418 1.00 0.62 N ATOM 444 CA LEU A 29 7.466 -9.124 -2.667 1.00 0.68 C ATOM 445 C LEU A 29 6.943 -8.965 -4.096 1.00 0.65 C ATOM 446 O LEU A 29 7.233 -7.978 -4.774 1.00 0.62 O ATOM 447 CB LEU A 29 6.304 -8.950 -1.652 1.00 0.74 C ATOM 448 CG LEU A 29 5.364 -7.732 -1.847 1.00 0.70 C ATOM 449 CD1 LEU A 29 4.354 -7.691 -0.692 1.00 0.92 C ATOM 450 CD2 LEU A 29 6.087 -6.385 -1.944 1.00 0.72 C ATOM 0 H LEU A 29 8.576 -7.401 -3.027 1.00 0.62 H new ATOM 0 HA LEU A 29 7.854 -10.133 -2.531 1.00 0.68 H new ATOM 0 HB2 LEU A 29 5.695 -9.854 -1.679 1.00 0.74 H new ATOM 0 HB3 LEU A 29 6.736 -8.886 -0.653 1.00 0.74 H new ATOM 0 HG LEU A 29 4.869 -7.874 -2.808 1.00 0.70 H new ATOM 0 HD11 LEU A 29 3.689 -6.837 -0.821 1.00 0.92 H new ATOM 0 HD12 LEU A 29 3.768 -8.610 -0.688 1.00 0.92 H new ATOM 0 HD13 LEU A 29 4.887 -7.596 0.254 1.00 0.92 H new ATOM 0 HD21 LEU A 29 5.355 -5.588 -2.079 1.00 0.72 H new ATOM 0 HD22 LEU A 29 6.651 -6.208 -1.028 1.00 0.72 H new ATOM 0 HD23 LEU A 29 6.770 -6.399 -2.794 1.00 0.72 H new ATOM 462 N SER A 30 6.128 -9.895 -4.567 1.00 0.77 N ATOM 463 CA SER A 30 5.510 -9.855 -5.889 1.00 0.84 C ATOM 464 C SER A 30 4.412 -8.785 -6.038 1.00 0.78 C ATOM 465 O SER A 30 3.661 -8.460 -5.109 1.00 0.78 O ATOM 466 CB SER A 30 4.944 -11.234 -6.261 1.00 1.15 C ATOM 467 OG SER A 30 3.865 -11.598 -5.418 1.00 1.86 O ATOM 0 H SER A 30 5.869 -10.722 -4.029 1.00 0.77 H new ATOM 0 HA SER A 30 6.308 -9.576 -6.577 1.00 0.84 H new ATOM 0 HB2 SER A 30 4.609 -11.223 -7.298 1.00 1.15 H new ATOM 0 HB3 SER A 30 5.732 -11.983 -6.189 1.00 1.15 H new ATOM 0 HG SER A 30 4.132 -12.351 -4.851 1.00 1.86 H new ATOM 473 N ARG A 31 4.223 -8.277 -7.265 1.00 0.84 N ATOM 474 CA ARG A 31 3.095 -7.379 -7.575 1.00 0.92 C ATOM 475 C ARG A 31 1.742 -8.085 -7.349 1.00 1.03 C ATOM 476 O ARG A 31 0.750 -7.420 -7.035 1.00 1.13 O ATOM 477 CB ARG A 31 3.180 -6.729 -8.976 1.00 1.08 C ATOM 478 CG ARG A 31 4.570 -6.705 -9.634 1.00 1.58 C ATOM 479 CD ARG A 31 4.869 -5.466 -10.470 1.00 1.60 C ATOM 480 NE ARG A 31 4.050 -5.329 -11.691 1.00 3.12 N ATOM 481 CZ ARG A 31 4.416 -4.712 -12.810 1.00 4.25 C ATOM 482 NH1 ARG A 31 5.644 -4.295 -13.024 1.00 4.32 N ATOM 483 NH2 ARG A 31 3.532 -4.485 -13.745 1.00 5.78 N ATOM 0 H ARG A 31 4.834 -8.471 -8.059 1.00 0.84 H new ATOM 0 HA ARG A 31 3.168 -6.550 -6.871 1.00 0.92 H new ATOM 0 HB2 ARG A 31 2.496 -7.258 -9.640 1.00 1.08 H new ATOM 0 HB3 ARG A 31 2.820 -5.703 -8.899 1.00 1.08 H new ATOM 0 HG2 ARG A 31 5.326 -6.788 -8.853 1.00 1.58 H new ATOM 0 HG3 ARG A 31 4.669 -7.585 -10.269 1.00 1.58 H new ATOM 0 HD2 ARG A 31 4.721 -4.582 -9.849 1.00 1.60 H new ATOM 0 HD3 ARG A 31 5.921 -5.483 -10.755 1.00 1.60 H new ATOM 0 HE ARG A 31 3.119 -5.746 -11.674 1.00 3.12 H new ATOM 0 HH11 ARG A 31 6.363 -4.440 -12.315 1.00 4.32 H new ATOM 0 HH12 ARG A 31 5.878 -3.826 -13.899 1.00 4.32 H new ATOM 0 HH21 ARG A 31 2.565 -4.781 -13.615 1.00 5.78 H new ATOM 0 HH22 ARG A 31 3.809 -4.012 -14.605 1.00 5.78 H new ATOM 497 N LYS A 32 1.717 -9.419 -7.449 1.00 1.14 N ATOM 498 CA LYS A 32 0.617 -10.282 -7.021 1.00 1.37 C ATOM 499 C LYS A 32 0.293 -10.146 -5.517 1.00 1.19 C ATOM 500 O LYS A 32 -0.883 -9.931 -5.198 1.00 1.24 O ATOM 501 CB LYS A 32 0.946 -11.734 -7.444 1.00 1.65 C ATOM 502 CG LYS A 32 0.100 -12.822 -6.759 1.00 3.19 C ATOM 503 CD LYS A 32 -1.407 -12.703 -7.044 1.00 3.58 C ATOM 504 CE LYS A 32 -2.271 -13.302 -5.924 1.00 5.61 C ATOM 505 NZ LYS A 32 -2.164 -12.534 -4.661 1.00 7.41 N ATOM 0 H LYS A 32 2.495 -9.945 -7.847 1.00 1.14 H new ATOM 0 HA LYS A 32 -0.301 -9.966 -7.517 1.00 1.37 H new ATOM 0 HB2 LYS A 32 0.816 -11.820 -8.523 1.00 1.65 H new ATOM 0 HB3 LYS A 32 1.998 -11.928 -7.234 1.00 1.65 H new ATOM 0 HG2 LYS A 32 0.447 -13.801 -7.089 1.00 3.19 H new ATOM 0 HG3 LYS A 32 0.262 -12.772 -5.682 1.00 3.19 H new ATOM 0 HD2 LYS A 32 -1.666 -11.652 -7.175 1.00 3.58 H new ATOM 0 HD3 LYS A 32 -1.636 -13.207 -7.983 1.00 3.58 H new ATOM 0 HE2 LYS A 32 -3.312 -13.327 -6.245 1.00 5.61 H new ATOM 0 HE3 LYS A 32 -1.968 -14.334 -5.746 1.00 5.61 H new ATOM 0 HZ1 LYS A 32 -3.104 -12.453 -4.223 1.00 7.41 H new ATOM 0 HZ2 LYS A 32 -1.520 -13.026 -4.009 1.00 7.41 H new ATOM 0 HZ3 LYS A 32 -1.793 -11.584 -4.863 1.00 7.41 H new ATOM 519 N GLU A 33 1.265 -10.253 -4.604 1.00 1.10 N ATOM 520 CA GLU A 33 0.972 -10.182 -3.164 1.00 1.02 C ATOM 521 C GLU A 33 0.780 -8.751 -2.649 1.00 0.85 C ATOM 522 O GLU A 33 -0.094 -8.519 -1.815 1.00 0.86 O ATOM 523 CB GLU A 33 2.047 -10.893 -2.341 1.00 1.25 C ATOM 524 CG GLU A 33 2.102 -12.418 -2.493 1.00 1.34 C ATOM 525 CD GLU A 33 0.788 -13.128 -2.132 1.00 1.84 C ATOM 526 OE1 GLU A 33 -0.168 -13.056 -2.939 1.00 2.46 O ATOM 527 OE2 GLU A 33 0.703 -13.772 -1.063 1.00 2.83 O ATOM 0 H GLU A 33 2.250 -10.388 -4.830 1.00 1.10 H new ATOM 0 HA GLU A 33 0.020 -10.697 -3.036 1.00 1.02 H new ATOM 0 HB2 GLU A 33 3.019 -10.484 -2.616 1.00 1.25 H new ATOM 0 HB3 GLU A 33 1.888 -10.657 -1.289 1.00 1.25 H new ATOM 0 HG2 GLU A 33 2.364 -12.661 -3.523 1.00 1.34 H new ATOM 0 HG3 GLU A 33 2.900 -12.808 -1.861 1.00 1.34 H new ATOM 534 N LEU A 34 1.496 -7.766 -3.209 1.00 0.74 N ATOM 535 CA LEU A 34 1.263 -6.346 -2.924 1.00 0.63 C ATOM 536 C LEU A 34 -0.186 -5.926 -3.224 1.00 0.62 C ATOM 537 O LEU A 34 -0.830 -5.244 -2.426 1.00 0.58 O ATOM 538 CB LEU A 34 2.277 -5.520 -3.740 1.00 0.69 C ATOM 539 CG LEU A 34 2.110 -3.998 -3.582 1.00 0.82 C ATOM 540 CD1 LEU A 34 2.283 -3.542 -2.128 1.00 1.03 C ATOM 541 CD2 LEU A 34 3.118 -3.279 -4.472 1.00 1.08 C ATOM 0 H LEU A 34 2.253 -7.933 -3.872 1.00 0.74 H new ATOM 0 HA LEU A 34 1.408 -6.162 -1.860 1.00 0.63 H new ATOM 0 HB2 LEU A 34 3.286 -5.799 -3.437 1.00 0.69 H new ATOM 0 HB3 LEU A 34 2.178 -5.779 -4.794 1.00 0.69 H new ATOM 0 HG LEU A 34 1.094 -3.745 -3.884 1.00 0.82 H new ATOM 0 HD11 LEU A 34 2.156 -2.461 -2.068 1.00 1.03 H new ATOM 0 HD12 LEU A 34 1.536 -4.030 -1.502 1.00 1.03 H new ATOM 0 HD13 LEU A 34 3.280 -3.810 -1.779 1.00 1.03 H new ATOM 0 HD21 LEU A 34 2.999 -2.201 -4.360 1.00 1.08 H new ATOM 0 HD22 LEU A 34 4.129 -3.565 -4.181 1.00 1.08 H new ATOM 0 HD23 LEU A 34 2.948 -3.556 -5.512 1.00 1.08 H new ATOM 553 N LYS A 35 -0.739 -6.367 -4.358 1.00 0.76 N ATOM 554 CA LYS A 35 -2.134 -6.100 -4.725 1.00 0.83 C ATOM 555 C LYS A 35 -3.115 -6.616 -3.660 1.00 0.77 C ATOM 556 O LYS A 35 -4.119 -5.963 -3.375 1.00 0.82 O ATOM 557 CB LYS A 35 -2.380 -6.743 -6.101 1.00 1.16 C ATOM 558 CG LYS A 35 -3.869 -6.792 -6.477 1.00 1.39 C ATOM 559 CD LYS A 35 -4.084 -7.334 -7.891 1.00 1.34 C ATOM 560 CE LYS A 35 -3.649 -6.286 -8.924 1.00 2.49 C ATOM 561 NZ LYS A 35 -4.129 -6.590 -10.290 1.00 3.51 N ATOM 0 H LYS A 35 -0.232 -6.920 -5.049 1.00 0.76 H new ATOM 0 HA LYS A 35 -2.310 -5.026 -4.781 1.00 0.83 H new ATOM 0 HB2 LYS A 35 -1.836 -6.183 -6.861 1.00 1.16 H new ATOM 0 HB3 LYS A 35 -1.976 -7.755 -6.101 1.00 1.16 H new ATOM 0 HG2 LYS A 35 -4.403 -7.419 -5.763 1.00 1.39 H new ATOM 0 HG3 LYS A 35 -4.295 -5.791 -6.403 1.00 1.39 H new ATOM 0 HD2 LYS A 35 -3.513 -8.252 -8.029 1.00 1.34 H new ATOM 0 HD3 LYS A 35 -5.134 -7.587 -8.037 1.00 1.34 H new ATOM 0 HE2 LYS A 35 -4.024 -5.308 -8.622 1.00 2.49 H new ATOM 0 HE3 LYS A 35 -2.561 -6.222 -8.933 1.00 2.49 H new ATOM 0 HZ1 LYS A 35 -4.512 -5.726 -10.724 1.00 3.51 H new ATOM 0 HZ2 LYS A 35 -3.338 -6.945 -10.865 1.00 3.51 H new ATOM 0 HZ3 LYS A 35 -4.875 -7.313 -10.243 1.00 3.51 H new ATOM 575 N GLU A 36 -2.797 -7.776 -3.089 1.00 0.81 N ATOM 576 CA GLU A 36 -3.545 -8.439 -2.027 1.00 0.93 C ATOM 577 C GLU A 36 -3.477 -7.622 -0.729 1.00 0.88 C ATOM 578 O GLU A 36 -4.510 -7.251 -0.172 1.00 1.00 O ATOM 579 CB GLU A 36 -2.954 -9.854 -1.840 1.00 1.24 C ATOM 580 CG GLU A 36 -3.996 -10.893 -1.443 1.00 1.23 C ATOM 581 CD GLU A 36 -4.902 -11.201 -2.626 1.00 1.48 C ATOM 582 OE1 GLU A 36 -4.534 -12.097 -3.414 1.00 2.56 O ATOM 583 OE2 GLU A 36 -5.955 -10.539 -2.760 1.00 1.94 O ATOM 0 H GLU A 36 -1.970 -8.303 -3.369 1.00 0.81 H new ATOM 0 HA GLU A 36 -4.599 -8.518 -2.294 1.00 0.93 H new ATOM 0 HB2 GLU A 36 -2.475 -10.166 -2.768 1.00 1.24 H new ATOM 0 HB3 GLU A 36 -2.177 -9.818 -1.076 1.00 1.24 H new ATOM 0 HG2 GLU A 36 -3.502 -11.804 -1.106 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -4.589 -10.524 -0.607 1.00 1.23 H new ATOM 590 N LEU A 37 -2.258 -7.269 -0.306 1.00 0.82 N ATOM 591 CA LEU A 37 -1.935 -6.482 0.882 1.00 0.91 C ATOM 592 C LEU A 37 -2.740 -5.172 0.964 1.00 0.96 C ATOM 593 O LEU A 37 -3.327 -4.874 2.009 1.00 1.20 O ATOM 594 CB LEU A 37 -0.399 -6.295 0.835 1.00 0.82 C ATOM 595 CG LEU A 37 0.272 -5.289 1.790 1.00 0.98 C ATOM 596 CD1 LEU A 37 -0.092 -5.492 3.259 1.00 1.17 C ATOM 597 CD2 LEU A 37 1.799 -5.405 1.636 1.00 1.43 C ATOM 0 H LEU A 37 -1.420 -7.544 -0.819 1.00 0.82 H new ATOM 0 HA LEU A 37 -2.225 -6.987 1.804 1.00 0.91 H new ATOM 0 HB2 LEU A 37 0.054 -7.270 1.016 1.00 0.82 H new ATOM 0 HB3 LEU A 37 -0.136 -6.005 -0.182 1.00 0.82 H new ATOM 0 HG LEU A 37 -0.093 -4.300 1.512 1.00 0.98 H new ATOM 0 HD11 LEU A 37 0.420 -4.746 3.867 1.00 1.17 H new ATOM 0 HD12 LEU A 37 -1.170 -5.386 3.385 1.00 1.17 H new ATOM 0 HD13 LEU A 37 0.214 -6.489 3.575 1.00 1.17 H new ATOM 0 HD21 LEU A 37 2.287 -4.698 2.307 1.00 1.43 H new ATOM 0 HD22 LEU A 37 2.114 -6.418 1.885 1.00 1.43 H new ATOM 0 HD23 LEU A 37 2.079 -5.181 0.607 1.00 1.43 H new ATOM 609 N ILE A 38 -2.814 -4.426 -0.141 1.00 0.82 N ATOM 610 CA ILE A 38 -3.505 -3.123 -0.270 1.00 0.95 C ATOM 611 C ILE A 38 -5.035 -3.232 -0.114 1.00 1.04 C ATOM 612 O ILE A 38 -5.692 -2.222 0.139 1.00 1.45 O ATOM 613 CB ILE A 38 -3.059 -2.445 -1.599 1.00 0.90 C ATOM 614 CG1 ILE A 38 -1.542 -2.138 -1.568 1.00 1.03 C ATOM 615 CG2 ILE A 38 -3.834 -1.147 -1.899 1.00 1.13 C ATOM 616 CD1 ILE A 38 -0.941 -1.961 -2.966 1.00 1.26 C ATOM 0 H ILE A 38 -2.377 -4.720 -1.015 1.00 0.82 H new ATOM 0 HA ILE A 38 -3.207 -2.481 0.559 1.00 0.95 H new ATOM 0 HB ILE A 38 -3.283 -3.155 -2.395 1.00 0.90 H new ATOM 0 HG12 ILE A 38 -1.372 -1.231 -0.987 1.00 1.03 H new ATOM 0 HG13 ILE A 38 -1.023 -2.947 -1.055 1.00 1.03 H new ATOM 0 HG21 ILE A 38 -3.479 -0.720 -2.837 1.00 1.13 H new ATOM 0 HG22 ILE A 38 -4.898 -1.369 -1.980 1.00 1.13 H new ATOM 0 HG23 ILE A 38 -3.673 -0.432 -1.092 1.00 1.13 H new ATOM 0 HD11 ILE A 38 0.124 -1.748 -2.880 1.00 1.26 H new ATOM 0 HD12 ILE A 38 -1.083 -2.876 -3.541 1.00 1.26 H new ATOM 0 HD13 ILE A 38 -1.437 -1.133 -3.473 1.00 1.26 H new ATOM 628 N LYS A 39 -5.628 -4.417 -0.286 1.00 0.95 N ATOM 629 CA LYS A 39 -7.033 -4.706 -0.037 1.00 1.12 C ATOM 630 C LYS A 39 -7.344 -5.557 1.212 1.00 1.27 C ATOM 631 O LYS A 39 -8.508 -5.606 1.612 1.00 1.58 O ATOM 632 CB LYS A 39 -7.565 -5.385 -1.316 1.00 1.11 C ATOM 633 CG LYS A 39 -8.558 -4.451 -1.996 1.00 1.36 C ATOM 634 CD LYS A 39 -7.947 -3.258 -2.753 1.00 2.04 C ATOM 635 CE LYS A 39 -8.883 -2.038 -2.773 1.00 2.97 C ATOM 636 NZ LYS A 39 -10.222 -2.311 -3.359 1.00 3.23 N ATOM 0 H LYS A 39 -5.114 -5.233 -0.617 1.00 0.95 H new ATOM 0 HA LYS A 39 -7.531 -3.763 0.190 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -6.741 -5.615 -1.991 1.00 1.11 H new ATOM 0 HB3 LYS A 39 -8.047 -6.331 -1.068 1.00 1.11 H new ATOM 0 HG2 LYS A 39 -9.155 -5.034 -2.697 1.00 1.36 H new ATOM 0 HG3 LYS A 39 -9.241 -4.065 -1.240 1.00 1.36 H new ATOM 0 HD2 LYS A 39 -7.002 -2.980 -2.287 1.00 2.04 H new ATOM 0 HD3 LYS A 39 -7.722 -3.557 -3.777 1.00 2.04 H new ATOM 0 HE2 LYS A 39 -9.011 -1.675 -1.753 1.00 2.97 H new ATOM 0 HE3 LYS A 39 -8.407 -1.237 -3.339 1.00 2.97 H new ATOM 0 HZ1 LYS A 39 -10.849 -1.499 -3.186 1.00 3.23 H new ATOM 0 HZ2 LYS A 39 -10.128 -2.463 -4.383 1.00 3.23 H new ATOM 0 HZ3 LYS A 39 -10.627 -3.161 -2.918 1.00 3.23 H new ATOM 650 N LYS A 40 -6.366 -6.270 1.786 1.00 1.09 N ATOM 651 CA LYS A 40 -6.556 -7.105 2.981 1.00 1.19 C ATOM 652 C LYS A 40 -6.181 -6.387 4.280 1.00 1.30 C ATOM 653 O LYS A 40 -7.009 -6.329 5.188 1.00 1.57 O ATOM 654 CB LYS A 40 -5.751 -8.411 2.831 1.00 1.05 C ATOM 655 CG LYS A 40 -6.541 -9.564 2.216 1.00 1.45 C ATOM 656 CD LYS A 40 -7.002 -9.320 0.776 1.00 1.70 C ATOM 657 CE LYS A 40 -7.628 -10.618 0.269 1.00 1.93 C ATOM 658 NZ LYS A 40 -8.073 -10.502 -1.138 1.00 2.65 N ATOM 0 H LYS A 40 -5.410 -6.284 1.430 1.00 1.09 H new ATOM 0 HA LYS A 40 -7.620 -7.330 3.054 1.00 1.19 H new ATOM 0 HB2 LYS A 40 -4.874 -8.216 2.214 1.00 1.05 H new ATOM 0 HB3 LYS A 40 -5.388 -8.716 3.813 1.00 1.05 H new ATOM 0 HG2 LYS A 40 -5.925 -10.463 2.240 1.00 1.45 H new ATOM 0 HG3 LYS A 40 -7.416 -9.760 2.836 1.00 1.45 H new ATOM 0 HD2 LYS A 40 -7.725 -8.505 0.738 1.00 1.70 H new ATOM 0 HD3 LYS A 40 -6.160 -9.029 0.148 1.00 1.70 H new ATOM 0 HE2 LYS A 40 -6.904 -11.428 0.355 1.00 1.93 H new ATOM 0 HE3 LYS A 40 -8.478 -10.881 0.898 1.00 1.93 H new ATOM 0 HZ1 LYS A 40 -8.612 -11.351 -1.403 1.00 2.65 H new ATOM 0 HZ2 LYS A 40 -8.677 -9.662 -1.243 1.00 2.65 H new ATOM 0 HZ3 LYS A 40 -7.243 -10.411 -1.758 1.00 2.65 H new ATOM 672 N GLU A 41 -4.964 -5.850 4.380 1.00 1.21 N ATOM 673 CA GLU A 41 -4.496 -5.246 5.632 1.00 1.39 C ATOM 674 C GLU A 41 -4.874 -3.769 5.728 1.00 1.62 C ATOM 675 O GLU A 41 -5.071 -3.269 6.832 1.00 1.87 O ATOM 676 CB GLU A 41 -2.983 -5.399 5.793 1.00 1.49 C ATOM 677 CG GLU A 41 -2.488 -6.835 5.602 1.00 2.05 C ATOM 678 CD GLU A 41 -3.137 -7.813 6.578 1.00 3.30 C ATOM 679 OE1 GLU A 41 -2.742 -7.835 7.762 1.00 4.11 O ATOM 680 OE2 GLU A 41 -3.959 -8.656 6.157 1.00 4.38 O ATOM 0 H GLU A 41 -4.288 -5.820 3.617 1.00 1.21 H new ATOM 0 HA GLU A 41 -4.994 -5.782 6.440 1.00 1.39 H new ATOM 0 HB2 GLU A 41 -2.482 -4.752 5.073 1.00 1.49 H new ATOM 0 HB3 GLU A 41 -2.695 -5.053 6.786 1.00 1.49 H new ATOM 0 HG2 GLU A 41 -2.696 -7.154 4.581 1.00 2.05 H new ATOM 0 HG3 GLU A 41 -1.406 -6.863 5.731 1.00 2.05 H new ATOM 687 N LEU A 42 -5.000 -3.082 4.585 1.00 1.70 N ATOM 688 CA LEU A 42 -5.701 -1.817 4.441 1.00 1.78 C ATOM 689 C LEU A 42 -7.034 -2.077 3.730 1.00 1.80 C ATOM 690 O LEU A 42 -7.102 -2.898 2.816 1.00 1.96 O ATOM 691 CB LEU A 42 -4.805 -0.910 3.586 1.00 1.83 C ATOM 692 CG LEU A 42 -5.004 0.605 3.667 1.00 1.64 C ATOM 693 CD1 LEU A 42 -6.368 1.144 3.238 1.00 1.71 C ATOM 694 CD2 LEU A 42 -4.626 1.177 5.033 1.00 2.89 C ATOM 0 H LEU A 42 -4.598 -3.412 3.707 1.00 1.70 H new ATOM 0 HA LEU A 42 -5.906 -1.348 5.403 1.00 1.78 H new ATOM 0 HB2 LEU A 42 -3.770 -1.122 3.852 1.00 1.83 H new ATOM 0 HB3 LEU A 42 -4.933 -1.205 2.545 1.00 1.83 H new ATOM 0 HG LEU A 42 -4.307 0.961 2.909 1.00 1.64 H new ATOM 0 HD11 LEU A 42 -6.380 2.229 3.342 1.00 1.71 H new ATOM 0 HD12 LEU A 42 -6.554 0.877 2.198 1.00 1.71 H new ATOM 0 HD13 LEU A 42 -7.145 0.711 3.868 1.00 1.71 H new ATOM 0 HD21 LEU A 42 -4.787 2.255 5.033 1.00 2.89 H new ATOM 0 HD22 LEU A 42 -5.245 0.717 5.804 1.00 2.89 H new ATOM 0 HD23 LEU A 42 -3.576 0.967 5.238 1.00 2.89 H new ATOM 706 N CYS A 43 -8.053 -1.328 4.139 1.00 2.00 N ATOM 707 CA CYS A 43 -9.403 -1.218 3.571 1.00 2.20 C ATOM 708 C CYS A 43 -10.277 -0.332 4.476 1.00 2.90 C ATOM 709 O CYS A 43 -10.563 -0.690 5.620 1.00 4.09 O ATOM 710 CB CYS A 43 -10.066 -2.587 3.332 1.00 2.29 C ATOM 711 SG CYS A 43 -11.635 -2.304 2.462 1.00 2.79 S ATOM 0 H CYS A 43 -7.950 -0.723 4.954 1.00 2.00 H new ATOM 0 HA CYS A 43 -9.308 -0.753 2.590 1.00 2.20 H new ATOM 0 HB2 CYS A 43 -9.413 -3.229 2.741 1.00 2.29 H new ATOM 0 HB3 CYS A 43 -10.242 -3.096 4.280 1.00 2.29 H new ATOM 0 HG CYS A 43 -12.221 -3.443 2.242 1.00 2.79 H new ATOM 717 N LEU A 44 -10.718 0.816 3.958 1.00 3.10 N ATOM 718 CA LEU A 44 -11.641 1.716 4.660 1.00 4.25 C ATOM 719 C LEU A 44 -13.106 1.313 4.418 1.00 5.04 C ATOM 720 O LEU A 44 -13.942 1.471 5.307 1.00 6.51 O ATOM 721 CB LEU A 44 -11.348 3.171 4.243 1.00 4.79 C ATOM 722 CG LEU A 44 -9.887 3.633 4.466 1.00 4.36 C ATOM 723 CD1 LEU A 44 -9.779 5.132 4.157 1.00 5.24 C ATOM 724 CD2 LEU A 44 -9.360 3.348 5.881 1.00 5.44 C ATOM 0 H LEU A 44 -10.444 1.151 3.034 1.00 3.10 H new ATOM 0 HA LEU A 44 -11.483 1.634 5.735 1.00 4.25 H new ATOM 0 HB2 LEU A 44 -11.593 3.287 3.187 1.00 4.79 H new ATOM 0 HB3 LEU A 44 -12.012 3.833 4.799 1.00 4.79 H new ATOM 0 HG LEU A 44 -9.262 3.052 3.788 1.00 4.36 H new ATOM 0 HD11 LEU A 44 -8.752 5.462 4.313 1.00 5.24 H new ATOM 0 HD12 LEU A 44 -10.065 5.311 3.121 1.00 5.24 H new ATOM 0 HD13 LEU A 44 -10.443 5.689 4.818 1.00 5.24 H new ATOM 0 HD21 LEU A 44 -8.331 3.699 5.964 1.00 5.44 H new ATOM 0 HD22 LEU A 44 -9.980 3.867 6.612 1.00 5.44 H new ATOM 0 HD23 LEU A 44 -9.394 2.276 6.073 1.00 5.44 H new ATOM 736 N GLY A 45 -13.408 0.711 3.264 1.00 4.35 N ATOM 737 CA GLY A 45 -14.700 0.101 2.923 1.00 5.02 C ATOM 738 C GLY A 45 -14.679 -0.535 1.537 1.00 3.84 C ATOM 739 O GLY A 45 -15.110 -1.667 1.362 1.00 4.71 O ATOM 0 H GLY A 45 -12.729 0.631 2.507 1.00 4.35 H new ATOM 0 HA2 GLY A 45 -14.952 -0.656 3.666 1.00 5.02 H new ATOM 0 HA3 GLY A 45 -15.482 0.860 2.963 1.00 5.02 H new ATOM 742 N GLU A 46 -14.096 0.188 0.588 1.00 2.84 N ATOM 743 CA GLU A 46 -13.902 -0.186 -0.813 1.00 3.37 C ATOM 744 C GLU A 46 -12.490 0.176 -1.315 1.00 4.57 C ATOM 745 O GLU A 46 -11.868 -0.608 -2.034 1.00 6.43 O ATOM 746 CB GLU A 46 -15.008 0.476 -1.655 1.00 3.83 C ATOM 747 CG GLU A 46 -14.923 1.997 -1.867 1.00 4.83 C ATOM 748 CD GLU A 46 -15.006 2.855 -0.599 1.00 5.45 C ATOM 749 OE1 GLU A 46 -14.033 2.853 0.196 1.00 5.69 O ATOM 750 OE2 GLU A 46 -16.020 3.560 -0.430 1.00 6.53 O ATOM 0 H GLU A 46 -13.720 1.115 0.788 1.00 2.84 H new ATOM 0 HA GLU A 46 -13.978 -1.269 -0.913 1.00 3.37 H new ATOM 0 HB2 GLU A 46 -15.016 -0.001 -2.635 1.00 3.83 H new ATOM 0 HB3 GLU A 46 -15.966 0.255 -1.186 1.00 3.83 H new ATOM 0 HG2 GLU A 46 -13.985 2.222 -2.374 1.00 4.83 H new ATOM 0 HG3 GLU A 46 -15.728 2.296 -2.538 1.00 4.83 H new ATOM 757 N MET A 47 -11.981 1.337 -0.879 1.00 3.96 N ATOM 758 CA MET A 47 -10.828 2.126 -1.328 1.00 5.06 C ATOM 759 C MET A 47 -11.172 2.939 -2.568 1.00 4.29 C ATOM 760 O MET A 47 -11.531 2.393 -3.606 1.00 5.12 O ATOM 761 CB MET A 47 -9.542 1.322 -1.507 1.00 6.40 C ATOM 762 CG MET A 47 -9.177 0.646 -0.184 1.00 6.95 C ATOM 763 SD MET A 47 -9.160 1.716 1.277 1.00 5.90 S ATOM 764 CE MET A 47 -8.019 3.014 0.743 1.00 5.05 C ATOM 0 H MET A 47 -12.433 1.807 -0.095 1.00 3.96 H new ATOM 0 HA MET A 47 -10.607 2.816 -0.513 1.00 5.06 H new ATOM 0 HB2 MET A 47 -9.675 0.572 -2.287 1.00 6.40 H new ATOM 0 HB3 MET A 47 -8.732 1.977 -1.829 1.00 6.40 H new ATOM 0 HG2 MET A 47 -9.883 -0.166 -0.007 1.00 6.95 H new ATOM 0 HG3 MET A 47 -8.191 0.194 -0.290 1.00 6.95 H new ATOM 0 HE1 MET A 47 -7.602 3.514 1.617 1.00 5.05 H new ATOM 0 HE2 MET A 47 -7.212 2.571 0.159 1.00 5.05 H new ATOM 0 HE3 MET A 47 -8.554 3.740 0.131 1.00 5.05 H new ATOM 774 N LYS A 48 -11.076 4.263 -2.417 1.00 3.22 N ATOM 775 CA LYS A 48 -11.863 5.220 -3.166 1.00 2.13 C ATOM 776 C LYS A 48 -11.592 5.280 -4.683 1.00 2.57 C ATOM 777 O LYS A 48 -10.468 5.086 -5.134 1.00 3.74 O ATOM 778 CB LYS A 48 -11.637 6.569 -2.476 1.00 2.20 C ATOM 779 CG LYS A 48 -12.814 7.529 -2.625 1.00 2.76 C ATOM 780 CD LYS A 48 -13.807 7.516 -1.449 1.00 3.61 C ATOM 781 CE LYS A 48 -14.394 6.143 -1.106 1.00 4.80 C ATOM 782 NZ LYS A 48 -15.510 5.723 -1.997 1.00 6.14 N ATOM 0 H LYS A 48 -10.433 4.698 -1.755 1.00 3.22 H new ATOM 0 HA LYS A 48 -12.907 4.909 -3.147 1.00 2.13 H new ATOM 0 HB2 LYS A 48 -11.447 6.400 -1.416 1.00 2.20 H new ATOM 0 HB3 LYS A 48 -10.743 7.035 -2.889 1.00 2.20 H new ATOM 0 HG2 LYS A 48 -12.427 8.541 -2.745 1.00 2.76 H new ATOM 0 HG3 LYS A 48 -13.352 7.283 -3.540 1.00 2.76 H new ATOM 0 HD2 LYS A 48 -13.304 7.909 -0.565 1.00 3.61 H new ATOM 0 HD3 LYS A 48 -14.627 8.197 -1.679 1.00 3.61 H new ATOM 0 HE2 LYS A 48 -13.601 5.397 -1.157 1.00 4.80 H new ATOM 0 HE3 LYS A 48 -14.751 6.159 -0.076 1.00 4.80 H new ATOM 0 HZ1 LYS A 48 -16.060 4.971 -1.534 1.00 6.14 H new ATOM 0 HZ2 LYS A 48 -16.128 6.537 -2.186 1.00 6.14 H new ATOM 0 HZ3 LYS A 48 -15.123 5.367 -2.894 1.00 6.14 H new ATOM 796 N GLU A 49 -12.647 5.576 -5.430 1.00 2.31 N ATOM 797 CA GLU A 49 -12.783 5.424 -6.876 1.00 2.75 C ATOM 798 C GLU A 49 -11.954 6.432 -7.684 1.00 2.91 C ATOM 799 O GLU A 49 -12.068 7.640 -7.500 1.00 4.26 O ATOM 800 CB GLU A 49 -14.267 5.551 -7.275 1.00 3.37 C ATOM 801 CG GLU A 49 -15.229 4.571 -6.579 1.00 3.93 C ATOM 802 CD GLU A 49 -15.467 4.924 -5.108 1.00 5.08 C ATOM 803 OE1 GLU A 49 -16.138 5.923 -4.792 1.00 5.98 O ATOM 804 OE2 GLU A 49 -14.828 4.303 -4.235 1.00 5.89 O ATOM 0 H GLU A 49 -13.495 5.958 -5.011 1.00 2.31 H new ATOM 0 HA GLU A 49 -12.396 4.434 -7.117 1.00 2.75 H new ATOM 0 HB2 GLU A 49 -14.596 6.568 -7.062 1.00 3.37 H new ATOM 0 HB3 GLU A 49 -14.348 5.409 -8.353 1.00 3.37 H new ATOM 0 HG2 GLU A 49 -16.183 4.567 -7.107 1.00 3.93 H new ATOM 0 HG3 GLU A 49 -14.824 3.561 -6.646 1.00 3.93 H new ATOM 811 N SER A 50 -11.186 5.898 -8.638 1.00 2.46 N ATOM 812 CA SER A 50 -10.299 6.543 -9.626 1.00 2.74 C ATOM 813 C SER A 50 -8.817 6.375 -9.255 1.00 2.41 C ATOM 814 O SER A 50 -8.450 6.343 -8.084 1.00 2.91 O ATOM 815 CB SER A 50 -10.599 8.021 -9.884 1.00 3.63 C ATOM 816 OG SER A 50 -9.914 8.460 -11.048 1.00 4.84 O ATOM 0 H SER A 50 -11.165 4.885 -8.754 1.00 2.46 H new ATOM 0 HA SER A 50 -10.509 6.016 -10.557 1.00 2.74 H new ATOM 0 HB2 SER A 50 -11.672 8.167 -10.007 1.00 3.63 H new ATOM 0 HB3 SER A 50 -10.293 8.618 -9.025 1.00 3.63 H new ATOM 0 HG SER A 50 -10.113 9.406 -11.207 1.00 4.84 H new ATOM 822 N SER A 51 -7.948 6.251 -10.261 1.00 2.54 N ATOM 823 CA SER A 51 -6.484 6.104 -10.148 1.00 2.64 C ATOM 824 C SER A 51 -6.039 4.789 -9.498 1.00 2.32 C ATOM 825 O SER A 51 -5.228 4.103 -10.098 1.00 2.63 O ATOM 826 CB SER A 51 -5.838 7.288 -9.411 1.00 3.29 C ATOM 827 OG SER A 51 -6.098 8.508 -10.083 1.00 3.76 O ATOM 0 H SER A 51 -8.258 6.250 -11.233 1.00 2.54 H new ATOM 0 HA SER A 51 -6.133 6.089 -11.180 1.00 2.64 H new ATOM 0 HB2 SER A 51 -6.223 7.341 -8.393 1.00 3.29 H new ATOM 0 HB3 SER A 51 -4.762 7.132 -9.337 1.00 3.29 H new ATOM 0 HG SER A 51 -5.678 9.247 -9.594 1.00 3.76 H new ATOM 833 N ILE A 52 -6.564 4.390 -8.327 1.00 2.05 N ATOM 834 CA ILE A 52 -6.291 3.066 -7.730 1.00 1.74 C ATOM 835 C ILE A 52 -6.547 1.935 -8.714 1.00 1.39 C ATOM 836 O ILE A 52 -5.765 0.993 -8.729 1.00 1.43 O ATOM 837 CB ILE A 52 -7.037 2.815 -6.395 1.00 1.79 C ATOM 838 CG1 ILE A 52 -6.709 1.379 -5.896 1.00 2.93 C ATOM 839 CG2 ILE A 52 -8.555 3.032 -6.465 1.00 2.40 C ATOM 840 CD1 ILE A 52 -7.166 0.978 -4.492 1.00 2.81 C ATOM 0 H ILE A 52 -7.188 4.972 -7.767 1.00 2.05 H new ATOM 0 HA ILE A 52 -5.228 3.078 -7.489 1.00 1.74 H new ATOM 0 HB ILE A 52 -6.679 3.563 -5.688 1.00 1.79 H new ATOM 0 HG12 ILE A 52 -7.146 0.673 -6.602 1.00 2.93 H new ATOM 0 HG13 ILE A 52 -5.628 1.249 -5.944 1.00 2.93 H new ATOM 0 HG21 ILE A 52 -8.996 2.835 -5.488 1.00 2.40 H new ATOM 0 HG22 ILE A 52 -8.762 4.062 -6.755 1.00 2.40 H new ATOM 0 HG23 ILE A 52 -8.986 2.354 -7.201 1.00 2.40 H new ATOM 0 HD11 ILE A 52 -6.864 -0.050 -4.291 1.00 2.81 H new ATOM 0 HD12 ILE A 52 -6.709 1.641 -3.757 1.00 2.81 H new ATOM 0 HD13 ILE A 52 -8.251 1.056 -4.426 1.00 2.81 H new ATOM 852 N ASP A 53 -7.594 2.038 -9.526 1.00 1.24 N ATOM 853 CA ASP A 53 -7.964 0.997 -10.476 1.00 1.12 C ATOM 854 C ASP A 53 -6.861 0.761 -11.525 1.00 1.11 C ATOM 855 O ASP A 53 -6.520 -0.389 -11.787 1.00 1.09 O ATOM 856 CB ASP A 53 -9.337 1.362 -11.077 1.00 1.56 C ATOM 857 CG ASP A 53 -10.210 0.133 -11.376 1.00 2.20 C ATOM 858 OD1 ASP A 53 -10.260 -0.768 -10.505 1.00 2.55 O ATOM 859 OD2 ASP A 53 -10.878 0.139 -12.437 1.00 3.30 O ATOM 0 H ASP A 53 -8.212 2.849 -9.543 1.00 1.24 H new ATOM 0 HA ASP A 53 -8.060 0.036 -9.972 1.00 1.12 H new ATOM 0 HB2 ASP A 53 -9.867 2.017 -10.386 1.00 1.56 H new ATOM 0 HB3 ASP A 53 -9.186 1.926 -11.998 1.00 1.56 H new ATOM 864 N ASP A 54 -6.195 1.819 -12.026 1.00 1.36 N ATOM 865 CA ASP A 54 -5.030 1.687 -12.916 1.00 1.59 C ATOM 866 C ASP A 54 -3.687 1.593 -12.189 1.00 1.35 C ATOM 867 O ASP A 54 -2.731 1.121 -12.785 1.00 1.40 O ATOM 868 CB ASP A 54 -4.929 2.791 -13.978 1.00 2.20 C ATOM 869 CG ASP A 54 -4.092 2.276 -15.176 1.00 2.76 C ATOM 870 OD1 ASP A 54 -4.465 1.263 -15.815 1.00 3.85 O ATOM 871 OD2 ASP A 54 -2.965 2.769 -15.426 1.00 3.04 O ATOM 0 H ASP A 54 -6.450 2.786 -11.825 1.00 1.36 H new ATOM 0 HA ASP A 54 -5.224 0.735 -13.410 1.00 1.59 H new ATOM 0 HB2 ASP A 54 -5.925 3.081 -14.313 1.00 2.20 H new ATOM 0 HB3 ASP A 54 -4.465 3.680 -13.551 1.00 2.20 H new ATOM 876 N LEU A 55 -3.571 1.979 -10.918 1.00 1.24 N ATOM 877 CA LEU A 55 -2.389 1.642 -10.102 1.00 1.17 C ATOM 878 C LEU A 55 -2.363 0.134 -9.840 1.00 1.08 C ATOM 879 O LEU A 55 -1.358 -0.534 -10.073 1.00 1.14 O ATOM 880 CB LEU A 55 -2.377 2.450 -8.792 1.00 1.13 C ATOM 881 CG LEU A 55 -2.181 3.961 -8.992 1.00 1.43 C ATOM 882 CD1 LEU A 55 -2.517 4.720 -7.698 1.00 1.35 C ATOM 883 CD2 LEU A 55 -0.750 4.296 -9.435 1.00 1.72 C ATOM 0 H LEU A 55 -4.277 2.525 -10.425 1.00 1.24 H new ATOM 0 HA LEU A 55 -1.485 1.912 -10.648 1.00 1.17 H new ATOM 0 HB2 LEU A 55 -3.316 2.282 -8.265 1.00 1.13 H new ATOM 0 HB3 LEU A 55 -1.580 2.072 -8.151 1.00 1.13 H new ATOM 0 HG LEU A 55 -2.861 4.276 -9.784 1.00 1.43 H new ATOM 0 HD11 LEU A 55 -2.373 5.789 -7.855 1.00 1.35 H new ATOM 0 HD12 LEU A 55 -3.555 4.530 -7.424 1.00 1.35 H new ATOM 0 HD13 LEU A 55 -1.862 4.380 -6.896 1.00 1.35 H new ATOM 0 HD21 LEU A 55 -0.652 5.374 -9.566 1.00 1.72 H new ATOM 0 HD22 LEU A 55 -0.045 3.957 -8.676 1.00 1.72 H new ATOM 0 HD23 LEU A 55 -0.535 3.795 -10.379 1.00 1.72 H new ATOM 895 N MET A 56 -3.510 -0.435 -9.475 1.00 1.00 N ATOM 896 CA MET A 56 -3.737 -1.879 -9.384 1.00 0.98 C ATOM 897 C MET A 56 -3.616 -2.560 -10.746 1.00 0.99 C ATOM 898 O MET A 56 -3.055 -3.660 -10.813 1.00 1.15 O ATOM 899 CB MET A 56 -5.112 -2.154 -8.754 1.00 0.99 C ATOM 900 CG MET A 56 -5.128 -1.779 -7.276 1.00 1.21 C ATOM 901 SD MET A 56 -3.980 -2.751 -6.273 1.00 2.02 S ATOM 902 CE MET A 56 -5.120 -3.072 -4.929 1.00 1.36 C ATOM 0 H MET A 56 -4.334 0.112 -9.226 1.00 1.00 H new ATOM 0 HA MET A 56 -2.962 -2.303 -8.746 1.00 0.98 H new ATOM 0 HB2 MET A 56 -5.877 -1.587 -9.284 1.00 0.99 H new ATOM 0 HB3 MET A 56 -5.362 -3.209 -8.867 1.00 0.99 H new ATOM 0 HG2 MET A 56 -4.881 -0.722 -7.175 1.00 1.21 H new ATOM 0 HG3 MET A 56 -6.138 -1.909 -6.887 1.00 1.21 H new ATOM 0 HE1 MET A 56 -4.618 -3.658 -4.159 1.00 1.36 H new ATOM 0 HE2 MET A 56 -5.457 -2.126 -4.504 1.00 1.36 H new ATOM 0 HE3 MET A 56 -5.979 -3.627 -5.305 1.00 1.36 H new ATOM 912 N LYS A 57 -4.054 -1.919 -11.836 1.00 0.97 N ATOM 913 CA LYS A 57 -3.813 -2.403 -13.201 1.00 1.10 C ATOM 914 C LYS A 57 -2.398 -2.078 -13.728 1.00 1.14 C ATOM 915 O LYS A 57 -1.958 -2.623 -14.730 1.00 1.28 O ATOM 916 CB LYS A 57 -4.961 -2.000 -14.143 1.00 1.32 C ATOM 917 CG LYS A 57 -5.298 -3.059 -15.205 1.00 1.92 C ATOM 918 CD LYS A 57 -4.442 -3.009 -16.483 1.00 3.23 C ATOM 919 CE LYS A 57 -3.556 -4.243 -16.755 1.00 4.82 C ATOM 920 NZ LYS A 57 -4.281 -5.537 -16.791 1.00 5.79 N ATOM 0 H LYS A 57 -4.586 -1.050 -11.797 1.00 0.97 H new ATOM 0 HA LYS A 57 -3.821 -3.492 -13.169 1.00 1.10 H new ATOM 0 HB2 LYS A 57 -5.852 -1.800 -13.548 1.00 1.32 H new ATOM 0 HB3 LYS A 57 -4.697 -1.069 -14.644 1.00 1.32 H new ATOM 0 HG2 LYS A 57 -5.192 -4.046 -14.755 1.00 1.92 H new ATOM 0 HG3 LYS A 57 -6.345 -2.947 -15.485 1.00 1.92 H new ATOM 0 HD2 LYS A 57 -5.106 -2.869 -17.336 1.00 3.23 H new ATOM 0 HD3 LYS A 57 -3.800 -2.130 -16.432 1.00 3.23 H new ATOM 0 HE2 LYS A 57 -3.045 -4.103 -17.708 1.00 4.82 H new ATOM 0 HE3 LYS A 57 -2.786 -4.296 -15.985 1.00 4.82 H new ATOM 0 HZ1 LYS A 57 -3.687 -6.255 -17.253 1.00 5.79 H new ATOM 0 HZ2 LYS A 57 -4.499 -5.840 -15.820 1.00 5.79 H new ATOM 0 HZ3 LYS A 57 -5.166 -5.424 -17.325 1.00 5.79 H new ATOM 934 N SER A 58 -1.632 -1.252 -13.028 1.00 1.16 N ATOM 935 CA SER A 58 -0.182 -1.060 -13.174 1.00 1.32 C ATOM 936 C SER A 58 0.570 -2.237 -12.555 1.00 1.44 C ATOM 937 O SER A 58 1.424 -2.820 -13.222 1.00 1.86 O ATOM 938 CB SER A 58 0.312 0.288 -12.624 1.00 1.47 C ATOM 939 OG SER A 58 1.604 0.557 -13.133 1.00 2.32 O ATOM 0 H SER A 58 -2.023 -0.659 -12.297 1.00 1.16 H new ATOM 0 HA SER A 58 0.032 -1.030 -14.242 1.00 1.32 H new ATOM 0 HB2 SER A 58 -0.376 1.084 -12.909 1.00 1.47 H new ATOM 0 HB3 SER A 58 0.336 0.262 -11.535 1.00 1.47 H new ATOM 0 HG SER A 58 1.920 1.417 -12.785 1.00 2.32 H new ATOM 945 N LEU A 59 0.174 -2.696 -11.359 1.00 1.23 N ATOM 946 CA LEU A 59 0.647 -3.991 -10.853 1.00 1.38 C ATOM 947 C LEU A 59 0.323 -5.098 -11.872 1.00 1.37 C ATOM 948 O LEU A 59 1.229 -5.829 -12.274 1.00 1.50 O ATOM 949 CB LEU A 59 0.077 -4.281 -9.445 1.00 1.42 C ATOM 950 CG LEU A 59 0.345 -3.197 -8.376 1.00 1.46 C ATOM 951 CD1 LEU A 59 -0.145 -3.681 -7.006 1.00 1.54 C ATOM 952 CD2 LEU A 59 1.823 -2.790 -8.268 1.00 1.62 C ATOM 0 H LEU A 59 -0.461 -2.200 -10.734 1.00 1.23 H new ATOM 0 HA LEU A 59 1.730 -3.961 -10.737 1.00 1.38 H new ATOM 0 HB2 LEU A 59 -1.000 -4.421 -9.531 1.00 1.42 H new ATOM 0 HB3 LEU A 59 0.494 -5.224 -9.092 1.00 1.42 H new ATOM 0 HG LEU A 59 -0.206 -2.313 -8.696 1.00 1.46 H new ATOM 0 HD11 LEU A 59 0.047 -2.912 -6.258 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -1.215 -3.882 -7.053 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.384 -4.594 -6.732 1.00 1.54 H new ATOM 0 HD21 LEU A 59 1.935 -2.026 -7.498 1.00 1.62 H new ATOM 0 HD22 LEU A 59 2.422 -3.662 -8.004 1.00 1.62 H new ATOM 0 HD23 LEU A 59 2.162 -2.393 -9.225 1.00 1.62 H new ATOM 964 N ASP A 60 -0.915 -5.103 -12.375 1.00 1.28 N ATOM 965 CA ASP A 60 -1.470 -6.004 -13.410 1.00 1.43 C ATOM 966 C ASP A 60 -0.982 -5.765 -14.855 1.00 1.49 C ATOM 967 O ASP A 60 -1.422 -6.448 -15.779 1.00 2.04 O ATOM 968 CB ASP A 60 -2.991 -5.831 -13.394 1.00 1.50 C ATOM 969 CG ASP A 60 -3.806 -7.091 -13.623 1.00 2.09 C ATOM 970 OD1 ASP A 60 -3.838 -7.902 -12.671 1.00 2.43 O ATOM 971 OD2 ASP A 60 -4.522 -7.109 -14.652 1.00 3.25 O ATOM 0 H ASP A 60 -1.612 -4.432 -12.052 1.00 1.28 H new ATOM 0 HA ASP A 60 -1.125 -7.005 -13.152 1.00 1.43 H new ATOM 0 HB2 ASP A 60 -3.278 -5.406 -12.432 1.00 1.50 H new ATOM 0 HB3 ASP A 60 -3.262 -5.103 -14.158 1.00 1.50 H new ATOM 976 N LYS A 61 -0.144 -4.757 -15.107 1.00 1.27 N ATOM 977 CA LYS A 61 0.428 -4.510 -16.446 1.00 1.41 C ATOM 978 C LYS A 61 1.476 -5.601 -16.811 1.00 1.58 C ATOM 979 O LYS A 61 1.811 -5.811 -17.973 1.00 1.75 O ATOM 980 CB LYS A 61 0.976 -3.066 -16.483 1.00 1.43 C ATOM 981 CG LYS A 61 0.579 -2.236 -17.715 1.00 1.88 C ATOM 982 CD LYS A 61 -0.779 -1.476 -17.696 1.00 2.21 C ATOM 983 CE LYS A 61 -0.871 -0.307 -16.684 1.00 2.89 C ATOM 984 NZ LYS A 61 -2.012 0.634 -16.917 1.00 4.24 N ATOM 0 H LYS A 61 0.160 -4.089 -14.398 1.00 1.27 H new ATOM 0 HA LYS A 61 -0.336 -4.589 -17.219 1.00 1.41 H new ATOM 0 HB2 LYS A 61 0.634 -2.544 -15.590 1.00 1.43 H new ATOM 0 HB3 LYS A 61 2.064 -3.108 -16.431 1.00 1.43 H new ATOM 0 HG2 LYS A 61 1.366 -1.502 -17.887 1.00 1.88 H new ATOM 0 HG3 LYS A 61 0.572 -2.904 -18.576 1.00 1.88 H new ATOM 0 HD2 LYS A 61 -0.972 -1.085 -18.695 1.00 2.21 H new ATOM 0 HD3 LYS A 61 -1.573 -2.190 -17.474 1.00 2.21 H new ATOM 0 HE2 LYS A 61 -0.958 -0.720 -15.679 1.00 2.89 H new ATOM 0 HE3 LYS A 61 0.061 0.258 -16.717 1.00 2.89 H new ATOM 0 HZ1 LYS A 61 -1.930 1.446 -16.272 1.00 4.24 H new ATOM 0 HZ2 LYS A 61 -1.990 0.970 -17.901 1.00 4.24 H new ATOM 0 HZ3 LYS A 61 -2.910 0.141 -16.740 1.00 4.24 H new ATOM 998 N ASN A 62 1.964 -6.277 -15.767 1.00 1.74 N ATOM 999 CA ASN A 62 2.484 -7.656 -15.697 1.00 2.42 C ATOM 1000 C ASN A 62 1.835 -8.314 -14.447 1.00 2.62 C ATOM 1001 O ASN A 62 0.620 -8.460 -14.445 1.00 4.23 O ATOM 1002 CB ASN A 62 4.033 -7.660 -15.725 1.00 2.95 C ATOM 1003 CG ASN A 62 4.644 -8.020 -17.082 1.00 3.95 C ATOM 1004 OD1 ASN A 62 5.562 -8.822 -17.152 1.00 5.26 O ATOM 1005 ND2 ASN A 62 4.179 -7.476 -18.190 1.00 4.19 N ATOM 0 H ASN A 62 2.012 -5.830 -14.852 1.00 1.74 H new ATOM 0 HA ASN A 62 2.213 -8.255 -16.567 1.00 2.42 H new ATOM 0 HB2 ASN A 62 4.391 -6.674 -15.430 1.00 2.95 H new ATOM 0 HB3 ASN A 62 4.395 -8.367 -14.979 1.00 2.95 H new ATOM 0 HD21 ASN A 62 4.586 -7.727 -19.091 1.00 4.19 H new ATOM 0 HD22 ASN A 62 3.412 -6.805 -18.146 1.00 4.19 H new ATOM 1012 N SER A 63 2.589 -8.633 -13.380 1.00 1.71 N ATOM 1013 CA SER A 63 2.175 -9.083 -12.023 1.00 1.42 C ATOM 1014 C SER A 63 3.288 -9.836 -11.280 1.00 1.24 C ATOM 1015 O SER A 63 3.405 -9.721 -10.061 1.00 1.24 O ATOM 1016 CB SER A 63 0.917 -9.963 -11.961 1.00 1.83 C ATOM 1017 OG SER A 63 -0.256 -9.178 -12.087 1.00 2.30 O ATOM 0 H SER A 63 3.606 -8.579 -13.444 1.00 1.71 H new ATOM 0 HA SER A 63 1.945 -8.134 -11.539 1.00 1.42 H new ATOM 0 HB2 SER A 63 0.949 -10.707 -12.757 1.00 1.83 H new ATOM 0 HB3 SER A 63 0.895 -10.507 -11.017 1.00 1.83 H new ATOM 0 HG SER A 63 -0.357 -8.887 -13.017 1.00 2.30 H new ATOM 1023 N ASP A 64 4.145 -10.551 -12.012 1.00 1.33 N ATOM 1024 CA ASP A 64 5.063 -11.543 -11.461 1.00 1.31 C ATOM 1025 C ASP A 64 6.459 -10.974 -11.627 1.00 1.15 C ATOM 1026 O ASP A 64 7.194 -11.220 -12.583 1.00 1.77 O ATOM 1027 CB ASP A 64 4.849 -12.917 -12.109 1.00 1.87 C ATOM 1028 CG ASP A 64 3.571 -13.575 -11.579 1.00 2.90 C ATOM 1029 OD1 ASP A 64 3.476 -13.726 -10.337 1.00 4.03 O ATOM 1030 OD2 ASP A 64 2.686 -13.888 -12.407 1.00 3.38 O ATOM 0 H ASP A 64 4.220 -10.453 -13.024 1.00 1.33 H new ATOM 0 HA ASP A 64 4.886 -11.728 -10.402 1.00 1.31 H new ATOM 0 HB2 ASP A 64 4.785 -12.808 -13.192 1.00 1.87 H new ATOM 0 HB3 ASP A 64 5.706 -13.559 -11.904 1.00 1.87 H new ATOM 1035 N GLN A 65 6.718 -10.022 -10.746 1.00 1.29 N ATOM 1036 CA GLN A 65 7.896 -9.188 -10.681 1.00 1.09 C ATOM 1037 C GLN A 65 7.962 -8.660 -9.250 1.00 0.86 C ATOM 1038 O GLN A 65 6.921 -8.549 -8.600 1.00 0.89 O ATOM 1039 CB GLN A 65 7.802 -7.994 -11.650 1.00 1.26 C ATOM 1040 CG GLN A 65 6.607 -7.833 -12.606 1.00 2.06 C ATOM 1041 CD GLN A 65 6.969 -7.949 -14.074 1.00 2.77 C ATOM 1042 OE1 GLN A 65 7.032 -6.937 -14.751 1.00 2.88 O ATOM 1043 NE2 GLN A 65 7.138 -9.134 -14.614 1.00 4.15 N ATOM 0 H GLN A 65 6.056 -9.799 -10.003 1.00 1.29 H new ATOM 0 HA GLN A 65 8.778 -9.764 -10.960 1.00 1.09 H new ATOM 0 HB2 GLN A 65 7.849 -7.089 -11.045 1.00 1.26 H new ATOM 0 HB3 GLN A 65 8.701 -8.013 -12.266 1.00 1.26 H new ATOM 0 HG2 GLN A 65 5.859 -8.589 -12.366 1.00 2.06 H new ATOM 0 HG3 GLN A 65 6.145 -6.861 -12.432 1.00 2.06 H new ATOM 0 HE21 GLN A 65 7.082 -9.971 -14.034 1.00 4.15 H new ATOM 0 HE22 GLN A 65 7.325 -9.217 -15.613 1.00 4.15 H new ATOM 1052 N GLU A 66 9.147 -8.286 -8.780 1.00 0.79 N ATOM 1053 CA GLU A 66 9.309 -7.816 -7.409 1.00 0.72 C ATOM 1054 C GLU A 66 9.116 -6.306 -7.266 1.00 0.76 C ATOM 1055 O GLU A 66 9.441 -5.520 -8.156 1.00 0.87 O ATOM 1056 CB GLU A 66 10.679 -8.219 -6.853 1.00 0.75 C ATOM 1057 CG GLU A 66 10.831 -9.733 -6.689 1.00 0.83 C ATOM 1058 CD GLU A 66 12.281 -10.070 -6.358 1.00 1.31 C ATOM 1059 OE1 GLU A 66 12.690 -9.781 -5.206 1.00 2.12 O ATOM 1060 OE2 GLU A 66 12.970 -10.565 -7.273 1.00 2.43 O ATOM 0 H GLU A 66 10.008 -8.299 -9.327 1.00 0.79 H new ATOM 0 HA GLU A 66 8.522 -8.298 -6.829 1.00 0.72 H new ATOM 0 HB2 GLU A 66 11.459 -7.850 -7.519 1.00 0.75 H new ATOM 0 HB3 GLU A 66 10.830 -7.737 -5.887 1.00 0.75 H new ATOM 0 HG2 GLU A 66 10.174 -10.091 -5.896 1.00 0.83 H new ATOM 0 HG3 GLU A 66 10.530 -10.240 -7.606 1.00 0.83 H new ATOM 1067 N ILE A 67 8.624 -5.910 -6.095 1.00 0.73 N ATOM 1068 CA ILE A 67 8.621 -4.543 -5.564 1.00 0.72 C ATOM 1069 C ILE A 67 9.299 -4.546 -4.183 1.00 0.65 C ATOM 1070 O ILE A 67 9.161 -5.507 -3.435 1.00 0.63 O ATOM 1071 CB ILE A 67 7.159 -4.029 -5.540 1.00 0.80 C ATOM 1072 CG1 ILE A 67 6.752 -3.620 -6.977 1.00 1.91 C ATOM 1073 CG2 ILE A 67 6.964 -2.872 -4.548 1.00 2.09 C ATOM 1074 CD1 ILE A 67 5.250 -3.389 -7.167 1.00 2.18 C ATOM 0 H ILE A 67 8.190 -6.571 -5.451 1.00 0.73 H new ATOM 0 HA ILE A 67 9.191 -3.857 -6.191 1.00 0.72 H new ATOM 0 HB ILE A 67 6.510 -4.832 -5.191 1.00 0.80 H new ATOM 0 HG12 ILE A 67 7.285 -2.708 -7.247 1.00 1.91 H new ATOM 0 HG13 ILE A 67 7.078 -4.396 -7.669 1.00 1.91 H new ATOM 0 HG21 ILE A 67 5.924 -2.547 -4.568 1.00 2.09 H new ATOM 0 HG22 ILE A 67 7.220 -3.207 -3.543 1.00 2.09 H new ATOM 0 HG23 ILE A 67 7.610 -2.040 -4.828 1.00 2.09 H new ATOM 0 HD11 ILE A 67 5.053 -3.106 -8.201 1.00 2.18 H new ATOM 0 HD12 ILE A 67 4.708 -4.305 -6.932 1.00 2.18 H new ATOM 0 HD13 ILE A 67 4.918 -2.591 -6.503 1.00 2.18 H new ATOM 1086 N ASP A 68 10.019 -3.465 -3.850 1.00 0.68 N ATOM 1087 CA ASP A 68 10.561 -3.226 -2.507 1.00 0.70 C ATOM 1088 C ASP A 68 9.611 -2.405 -1.613 1.00 0.69 C ATOM 1089 O ASP A 68 8.588 -1.878 -2.061 1.00 0.96 O ATOM 1090 CB ASP A 68 11.989 -2.620 -2.584 1.00 0.90 C ATOM 1091 CG ASP A 68 12.117 -1.162 -3.068 1.00 0.99 C ATOM 1092 OD1 ASP A 68 11.150 -0.376 -2.956 1.00 2.05 O ATOM 1093 OD2 ASP A 68 13.209 -0.772 -3.540 1.00 2.12 O ATOM 0 H ASP A 68 10.243 -2.724 -4.514 1.00 0.68 H new ATOM 0 HA ASP A 68 10.645 -4.196 -2.016 1.00 0.70 H new ATOM 0 HB2 ASP A 68 12.437 -2.686 -1.592 1.00 0.90 H new ATOM 0 HB3 ASP A 68 12.586 -3.248 -3.245 1.00 0.90 H new ATOM 1098 N PHE A 69 9.984 -2.255 -0.336 1.00 0.63 N ATOM 1099 CA PHE A 69 9.271 -1.444 0.655 1.00 0.66 C ATOM 1100 C PHE A 69 8.828 -0.054 0.155 1.00 0.61 C ATOM 1101 O PHE A 69 7.792 0.456 0.591 1.00 0.66 O ATOM 1102 CB PHE A 69 10.207 -1.245 1.856 1.00 0.80 C ATOM 1103 CG PHE A 69 10.146 -2.324 2.912 1.00 1.62 C ATOM 1104 CD1 PHE A 69 9.147 -2.252 3.900 1.00 1.97 C ATOM 1105 CD2 PHE A 69 11.117 -3.342 2.964 1.00 3.46 C ATOM 1106 CE1 PHE A 69 9.143 -3.168 4.960 1.00 3.13 C ATOM 1107 CE2 PHE A 69 11.126 -4.246 4.043 1.00 4.63 C ATOM 1108 CZ PHE A 69 10.146 -4.146 5.046 1.00 4.25 C ATOM 0 H PHE A 69 10.814 -2.708 0.046 1.00 0.63 H new ATOM 0 HA PHE A 69 8.357 -1.984 0.902 1.00 0.66 H new ATOM 0 HB2 PHE A 69 11.231 -1.177 1.489 1.00 0.80 H new ATOM 0 HB3 PHE A 69 9.972 -0.289 2.324 1.00 0.80 H new ATOM 0 HD1 PHE A 69 8.383 -1.491 3.841 1.00 1.97 H new ATOM 0 HD2 PHE A 69 11.853 -3.429 2.178 1.00 3.46 H new ATOM 0 HE1 PHE A 69 8.368 -3.122 5.711 1.00 3.13 H new ATOM 0 HE2 PHE A 69 11.883 -5.014 4.100 1.00 4.63 H new ATOM 0 HZ PHE A 69 10.165 -4.824 5.886 1.00 4.25 H new ATOM 1118 N LYS A 70 9.592 0.590 -0.731 1.00 0.63 N ATOM 1119 CA LYS A 70 9.409 1.991 -1.102 1.00 0.68 C ATOM 1120 C LYS A 70 8.115 2.150 -1.891 1.00 0.74 C ATOM 1121 O LYS A 70 7.266 2.979 -1.550 1.00 0.84 O ATOM 1122 CB LYS A 70 10.606 2.358 -1.979 1.00 0.72 C ATOM 1123 CG LYS A 70 10.971 3.829 -2.104 1.00 1.16 C ATOM 1124 CD LYS A 70 11.870 4.028 -3.337 1.00 1.72 C ATOM 1125 CE LYS A 70 13.020 3.014 -3.546 1.00 2.49 C ATOM 1126 NZ LYS A 70 12.577 1.784 -4.261 1.00 3.52 N ATOM 0 H LYS A 70 10.368 0.142 -1.218 1.00 0.63 H new ATOM 0 HA LYS A 70 9.347 2.635 -0.225 1.00 0.68 H new ATOM 0 HB2 LYS A 70 11.478 1.829 -1.594 1.00 0.72 H new ATOM 0 HB3 LYS A 70 10.417 1.974 -2.981 1.00 0.72 H new ATOM 0 HG2 LYS A 70 10.068 4.433 -2.197 1.00 1.16 H new ATOM 0 HG3 LYS A 70 11.488 4.165 -1.205 1.00 1.16 H new ATOM 0 HD2 LYS A 70 11.236 4.007 -4.224 1.00 1.72 H new ATOM 0 HD3 LYS A 70 12.306 5.026 -3.280 1.00 1.72 H new ATOM 0 HE2 LYS A 70 13.821 3.490 -4.112 1.00 2.49 H new ATOM 0 HE3 LYS A 70 13.436 2.737 -2.577 1.00 2.49 H new ATOM 0 HZ1 LYS A 70 13.387 1.360 -4.757 1.00 3.52 H new ATOM 0 HZ2 LYS A 70 12.195 1.102 -3.575 1.00 3.52 H new ATOM 0 HZ3 LYS A 70 11.839 2.030 -4.951 1.00 3.52 H new ATOM 1140 N GLU A 71 7.946 1.306 -2.904 1.00 0.73 N ATOM 1141 CA GLU A 71 6.888 1.443 -3.895 1.00 0.68 C ATOM 1142 C GLU A 71 5.572 0.882 -3.338 1.00 0.54 C ATOM 1143 O GLU A 71 4.499 1.409 -3.611 1.00 0.62 O ATOM 1144 CB GLU A 71 7.316 0.843 -5.250 1.00 1.00 C ATOM 1145 CG GLU A 71 8.837 0.866 -5.530 1.00 1.34 C ATOM 1146 CD GLU A 71 9.483 2.258 -5.606 1.00 3.36 C ATOM 1147 OE1 GLU A 71 8.906 3.242 -5.089 1.00 4.50 O ATOM 1148 OE2 GLU A 71 10.642 2.321 -6.072 1.00 4.46 O ATOM 0 H GLU A 71 8.548 0.498 -3.060 1.00 0.73 H new ATOM 0 HA GLU A 71 6.705 2.498 -4.100 1.00 0.68 H new ATOM 0 HB2 GLU A 71 6.970 -0.189 -5.298 1.00 1.00 H new ATOM 0 HB3 GLU A 71 6.808 1.387 -6.047 1.00 1.00 H new ATOM 0 HG2 GLU A 71 9.340 0.295 -4.749 1.00 1.34 H new ATOM 0 HG3 GLU A 71 9.022 0.349 -6.472 1.00 1.34 H new ATOM 1155 N TYR A 72 5.674 -0.071 -2.404 1.00 0.57 N ATOM 1156 CA TYR A 72 4.591 -0.398 -1.466 1.00 0.58 C ATOM 1157 C TYR A 72 4.100 0.843 -0.694 1.00 0.61 C ATOM 1158 O TYR A 72 2.901 1.121 -0.635 1.00 0.66 O ATOM 1159 CB TYR A 72 5.107 -1.490 -0.510 1.00 0.55 C ATOM 1160 CG TYR A 72 4.445 -1.570 0.859 1.00 0.52 C ATOM 1161 CD1 TYR A 72 3.071 -1.852 0.974 1.00 1.74 C ATOM 1162 CD2 TYR A 72 5.223 -1.421 2.028 1.00 2.25 C ATOM 1163 CE1 TYR A 72 2.491 -2.048 2.241 1.00 1.61 C ATOM 1164 CE2 TYR A 72 4.647 -1.631 3.298 1.00 2.46 C ATOM 1165 CZ TYR A 72 3.279 -1.972 3.406 1.00 0.87 C ATOM 1166 OH TYR A 72 2.721 -2.280 4.608 1.00 1.12 O ATOM 0 H TYR A 72 6.511 -0.639 -2.276 1.00 0.57 H new ATOM 0 HA TYR A 72 3.726 -0.763 -2.020 1.00 0.58 H new ATOM 0 HB2 TYR A 72 4.989 -2.456 -1.002 1.00 0.55 H new ATOM 0 HB3 TYR A 72 6.176 -1.336 -0.362 1.00 0.55 H new ATOM 0 HD1 TYR A 72 2.459 -1.918 0.086 1.00 1.74 H new ATOM 0 HD2 TYR A 72 6.264 -1.145 1.949 1.00 2.25 H new ATOM 0 HE1 TYR A 72 1.435 -2.258 2.321 1.00 1.61 H new ATOM 0 HE2 TYR A 72 5.251 -1.531 4.188 1.00 2.46 H new ATOM 0 HH TYR A 72 3.425 -2.535 5.240 1.00 1.12 H new ATOM 1176 N SER A 73 5.023 1.609 -0.112 1.00 0.62 N ATOM 1177 CA SER A 73 4.692 2.791 0.679 1.00 0.69 C ATOM 1178 C SER A 73 4.153 3.946 -0.180 1.00 0.70 C ATOM 1179 O SER A 73 3.123 4.525 0.184 1.00 0.81 O ATOM 1180 CB SER A 73 5.917 3.212 1.479 1.00 0.72 C ATOM 1181 OG SER A 73 5.560 4.248 2.356 1.00 2.22 O ATOM 0 H SER A 73 6.024 1.425 -0.177 1.00 0.62 H new ATOM 0 HA SER A 73 3.883 2.531 1.362 1.00 0.69 H new ATOM 0 HB2 SER A 73 6.310 2.364 2.040 1.00 0.72 H new ATOM 0 HB3 SER A 73 6.709 3.544 0.807 1.00 0.72 H new ATOM 0 HG SER A 73 6.318 4.458 2.940 1.00 2.22 H new ATOM 1187 N VAL A 74 4.772 4.264 -1.331 1.00 0.60 N ATOM 1188 CA VAL A 74 4.269 5.338 -2.205 1.00 0.57 C ATOM 1189 C VAL A 74 2.885 5.028 -2.762 1.00 0.54 C ATOM 1190 O VAL A 74 2.113 5.957 -2.927 1.00 0.55 O ATOM 1191 CB VAL A 74 5.186 5.771 -3.372 1.00 0.60 C ATOM 1192 CG1 VAL A 74 6.618 6.029 -2.908 1.00 0.75 C ATOM 1193 CG2 VAL A 74 5.147 4.872 -4.615 1.00 0.72 C ATOM 0 H VAL A 74 5.612 3.798 -1.675 1.00 0.60 H new ATOM 0 HA VAL A 74 4.235 6.185 -1.520 1.00 0.57 H new ATOM 0 HB VAL A 74 4.754 6.714 -3.708 1.00 0.60 H new ATOM 0 HG11 VAL A 74 7.228 6.331 -3.760 1.00 0.75 H new ATOM 0 HG12 VAL A 74 6.621 6.822 -2.160 1.00 0.75 H new ATOM 0 HG13 VAL A 74 7.029 5.118 -2.472 1.00 0.75 H new ATOM 0 HG21 VAL A 74 5.826 5.267 -5.371 1.00 0.72 H new ATOM 0 HG22 VAL A 74 5.454 3.862 -4.343 1.00 0.72 H new ATOM 0 HG23 VAL A 74 4.133 4.848 -5.015 1.00 0.72 H new ATOM 1203 N PHE A 75 2.539 3.761 -3.009 1.00 0.54 N ATOM 1204 CA PHE A 75 1.197 3.376 -3.452 1.00 0.52 C ATOM 1205 C PHE A 75 0.157 3.705 -2.375 1.00 0.50 C ATOM 1206 O PHE A 75 -0.831 4.377 -2.661 1.00 0.50 O ATOM 1207 CB PHE A 75 1.232 1.876 -3.796 1.00 0.56 C ATOM 1208 CG PHE A 75 0.075 1.344 -4.616 1.00 0.52 C ATOM 1209 CD1 PHE A 75 -1.250 1.403 -4.142 1.00 1.93 C ATOM 1210 CD2 PHE A 75 0.342 0.727 -5.851 1.00 1.78 C ATOM 1211 CE1 PHE A 75 -2.300 0.876 -4.914 1.00 1.90 C ATOM 1212 CE2 PHE A 75 -0.705 0.186 -6.611 1.00 1.81 C ATOM 1213 CZ PHE A 75 -2.026 0.268 -6.148 1.00 0.53 C ATOM 0 H PHE A 75 3.181 2.975 -2.907 1.00 0.54 H new ATOM 0 HA PHE A 75 0.902 3.939 -4.337 1.00 0.52 H new ATOM 0 HB2 PHE A 75 2.156 1.671 -4.337 1.00 0.56 H new ATOM 0 HB3 PHE A 75 1.277 1.313 -2.864 1.00 0.56 H new ATOM 0 HD1 PHE A 75 -1.460 1.854 -3.183 1.00 1.93 H new ATOM 0 HD2 PHE A 75 1.357 0.670 -6.216 1.00 1.78 H new ATOM 0 HE1 PHE A 75 -3.317 0.939 -4.557 1.00 1.90 H new ATOM 0 HE2 PHE A 75 -0.493 -0.295 -7.555 1.00 1.81 H new ATOM 0 HZ PHE A 75 -2.832 -0.137 -6.741 1.00 0.53 H new ATOM 1223 N LEU A 76 0.375 3.281 -1.121 1.00 0.53 N ATOM 1224 CA LEU A 76 -0.543 3.561 -0.004 1.00 0.57 C ATOM 1225 C LEU A 76 -0.690 5.066 0.258 1.00 0.55 C ATOM 1226 O LEU A 76 -1.808 5.570 0.391 1.00 0.59 O ATOM 1227 CB LEU A 76 -0.026 2.836 1.250 1.00 0.65 C ATOM 1228 CG LEU A 76 -0.181 1.305 1.216 1.00 0.76 C ATOM 1229 CD1 LEU A 76 0.482 0.720 2.466 1.00 1.06 C ATOM 1230 CD2 LEU A 76 -1.656 0.878 1.179 1.00 0.91 C ATOM 0 H LEU A 76 1.193 2.734 -0.852 1.00 0.53 H new ATOM 0 HA LEU A 76 -1.536 3.194 -0.266 1.00 0.57 H new ATOM 0 HB2 LEU A 76 1.028 3.078 1.385 1.00 0.65 H new ATOM 0 HB3 LEU A 76 -0.556 3.222 2.121 1.00 0.65 H new ATOM 0 HG LEU A 76 0.294 0.932 0.309 1.00 0.76 H new ATOM 0 HD11 LEU A 76 0.381 -0.365 2.457 1.00 1.06 H new ATOM 0 HD12 LEU A 76 1.539 0.986 2.475 1.00 1.06 H new ATOM 0 HD13 LEU A 76 -0.001 1.122 3.356 1.00 1.06 H new ATOM 0 HD21 LEU A 76 -1.719 -0.210 1.156 1.00 0.91 H new ATOM 0 HD22 LEU A 76 -2.166 1.252 2.067 1.00 0.91 H new ATOM 0 HD23 LEU A 76 -2.131 1.288 0.288 1.00 0.91 H new ATOM 1242 N THR A 77 0.446 5.769 0.244 1.00 0.53 N ATOM 1243 CA THR A 77 0.593 7.231 0.343 1.00 0.50 C ATOM 1244 C THR A 77 -0.171 7.946 -0.771 1.00 0.51 C ATOM 1245 O THR A 77 -0.917 8.886 -0.516 1.00 0.58 O ATOM 1246 CB THR A 77 2.093 7.527 0.279 1.00 0.62 C ATOM 1247 OG1 THR A 77 2.715 6.889 1.371 1.00 0.73 O ATOM 1248 CG2 THR A 77 2.465 8.994 0.348 1.00 0.83 C ATOM 0 H THR A 77 1.350 5.304 0.158 1.00 0.53 H new ATOM 0 HA THR A 77 0.169 7.600 1.277 1.00 0.50 H new ATOM 0 HB THR A 77 2.424 7.163 -0.694 1.00 0.62 H new ATOM 0 HG1 THR A 77 2.978 5.981 1.113 1.00 0.73 H new ATOM 0 HG21 THR A 77 3.549 9.097 0.295 1.00 0.83 H new ATOM 0 HG22 THR A 77 2.009 9.525 -0.487 1.00 0.83 H new ATOM 0 HG23 THR A 77 2.106 9.417 1.286 1.00 0.83 H new ATOM 1256 N MET A 78 -0.044 7.461 -2.006 1.00 0.53 N ATOM 1257 CA MET A 78 -0.708 7.980 -3.210 1.00 0.54 C ATOM 1258 C MET A 78 -2.221 7.764 -3.162 1.00 0.56 C ATOM 1259 O MET A 78 -2.970 8.662 -3.531 1.00 0.63 O ATOM 1260 CB MET A 78 -0.044 7.308 -4.421 1.00 0.57 C ATOM 1261 CG MET A 78 -0.634 7.656 -5.779 1.00 1.01 C ATOM 1262 SD MET A 78 0.443 7.319 -7.206 1.00 1.17 S ATOM 1263 CE MET A 78 1.241 5.759 -6.733 1.00 1.17 C ATOM 0 H MET A 78 0.552 6.658 -2.208 1.00 0.53 H new ATOM 0 HA MET A 78 -0.586 9.061 -3.282 1.00 0.54 H new ATOM 0 HB2 MET A 78 1.013 7.575 -4.426 1.00 0.57 H new ATOM 0 HB3 MET A 78 -0.099 6.228 -4.288 1.00 0.57 H new ATOM 0 HG2 MET A 78 -1.563 7.099 -5.906 1.00 1.01 H new ATOM 0 HG3 MET A 78 -0.894 8.715 -5.783 1.00 1.01 H new ATOM 0 HE1 MET A 78 1.784 5.355 -7.587 1.00 1.17 H new ATOM 0 HE2 MET A 78 1.936 5.940 -5.913 1.00 1.17 H new ATOM 0 HE3 MET A 78 0.482 5.044 -6.414 1.00 1.17 H new ATOM 1273 N LEU A 79 -2.679 6.624 -2.633 1.00 0.58 N ATOM 1274 CA LEU A 79 -4.096 6.388 -2.347 1.00 0.71 C ATOM 1275 C LEU A 79 -4.647 7.388 -1.340 1.00 0.81 C ATOM 1276 O LEU A 79 -5.716 7.939 -1.567 1.00 0.92 O ATOM 1277 CB LEU A 79 -4.313 4.951 -1.833 1.00 0.91 C ATOM 1278 CG LEU A 79 -5.134 4.069 -2.784 1.00 0.94 C ATOM 1279 CD1 LEU A 79 -6.536 4.644 -3.056 1.00 1.51 C ATOM 1280 CD2 LEU A 79 -4.334 3.827 -4.076 1.00 2.29 C ATOM 0 H LEU A 79 -2.075 5.838 -2.391 1.00 0.58 H new ATOM 0 HA LEU A 79 -4.640 6.522 -3.282 1.00 0.71 H new ATOM 0 HB2 LEU A 79 -3.342 4.484 -1.667 1.00 0.91 H new ATOM 0 HB3 LEU A 79 -4.816 4.993 -0.867 1.00 0.91 H new ATOM 0 HG LEU A 79 -5.309 3.107 -2.302 1.00 0.94 H new ATOM 0 HD11 LEU A 79 -7.075 3.983 -3.734 1.00 1.51 H new ATOM 0 HD12 LEU A 79 -7.084 4.726 -2.117 1.00 1.51 H new ATOM 0 HD13 LEU A 79 -6.443 5.631 -3.510 1.00 1.51 H new ATOM 0 HD21 LEU A 79 -4.916 3.201 -4.752 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -4.123 4.782 -4.557 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -3.396 3.327 -3.835 1.00 2.29 H new ATOM 1292 N CYS A 80 -3.916 7.640 -0.252 1.00 0.79 N ATOM 1293 CA CYS A 80 -4.316 8.547 0.828 1.00 0.85 C ATOM 1294 C CYS A 80 -4.619 9.977 0.329 1.00 0.90 C ATOM 1295 O CYS A 80 -5.548 10.622 0.810 1.00 1.09 O ATOM 1296 CB CYS A 80 -3.195 8.488 1.879 1.00 0.89 C ATOM 1297 SG CYS A 80 -3.719 9.272 3.421 1.00 1.06 S ATOM 0 H CYS A 80 -3.006 7.208 -0.093 1.00 0.79 H new ATOM 0 HA CYS A 80 -5.261 8.232 1.270 1.00 0.85 H new ATOM 0 HB2 CYS A 80 -2.922 7.450 2.068 1.00 0.89 H new ATOM 0 HB3 CYS A 80 -2.305 8.987 1.496 1.00 0.89 H new ATOM 0 HG CYS A 80 -2.755 9.207 4.291 1.00 1.06 H new ATOM 1303 N MET A 81 -3.895 10.439 -0.693 1.00 0.87 N ATOM 1304 CA MET A 81 -4.111 11.733 -1.353 1.00 0.96 C ATOM 1305 C MET A 81 -5.342 11.769 -2.272 1.00 1.05 C ATOM 1306 O MET A 81 -5.787 12.852 -2.634 1.00 1.23 O ATOM 1307 CB MET A 81 -2.844 12.101 -2.141 1.00 1.08 C ATOM 1308 CG MET A 81 -1.619 12.270 -1.228 1.00 1.64 C ATOM 1309 SD MET A 81 -1.779 13.547 0.047 1.00 3.39 S ATOM 1310 CE MET A 81 -1.568 15.005 -1.002 1.00 3.65 C ATOM 0 H MET A 81 -3.121 9.911 -1.097 1.00 0.87 H new ATOM 0 HA MET A 81 -4.313 12.464 -0.570 1.00 0.96 H new ATOM 0 HB2 MET A 81 -2.640 11.326 -2.880 1.00 1.08 H new ATOM 0 HB3 MET A 81 -3.016 13.027 -2.690 1.00 1.08 H new ATOM 0 HG2 MET A 81 -1.414 11.317 -0.741 1.00 1.64 H new ATOM 0 HG3 MET A 81 -0.753 12.504 -1.848 1.00 1.64 H new ATOM 0 HE1 MET A 81 -0.602 15.466 -0.795 1.00 3.65 H new ATOM 0 HE2 MET A 81 -1.611 14.709 -2.050 1.00 3.65 H new ATOM 0 HE3 MET A 81 -2.363 15.721 -0.794 1.00 3.65 H new ATOM 1320 N ALA A 82 -5.906 10.618 -2.647 1.00 1.06 N ATOM 1321 CA ALA A 82 -7.083 10.527 -3.512 1.00 1.20 C ATOM 1322 C ALA A 82 -8.431 10.632 -2.760 1.00 1.20 C ATOM 1323 O ALA A 82 -9.472 10.578 -3.409 1.00 1.37 O ATOM 1324 CB ALA A 82 -6.983 9.231 -4.329 1.00 1.26 C ATOM 0 H ALA A 82 -5.551 9.708 -2.353 1.00 1.06 H new ATOM 0 HA ALA A 82 -7.081 11.393 -4.173 1.00 1.20 H new ATOM 0 HB1 ALA A 82 -7.852 9.144 -4.981 1.00 1.26 H new ATOM 0 HB2 ALA A 82 -6.076 9.251 -4.934 1.00 1.26 H new ATOM 0 HB3 ALA A 82 -6.950 8.376 -3.653 1.00 1.26 H new ATOM 1330 N TYR A 83 -8.431 10.737 -1.421 1.00 1.09 N ATOM 1331 CA TYR A 83 -9.674 10.696 -0.624 1.00 1.15 C ATOM 1332 C TYR A 83 -9.678 11.519 0.685 1.00 1.27 C ATOM 1333 O TYR A 83 -10.641 11.430 1.446 1.00 1.78 O ATOM 1334 CB TYR A 83 -10.092 9.222 -0.422 1.00 1.22 C ATOM 1335 CG TYR A 83 -9.139 8.333 0.363 1.00 1.25 C ATOM 1336 CD1 TYR A 83 -9.008 8.517 1.755 1.00 2.33 C ATOM 1337 CD2 TYR A 83 -8.424 7.287 -0.268 1.00 2.22 C ATOM 1338 CE1 TYR A 83 -8.131 7.711 2.504 1.00 2.53 C ATOM 1339 CE2 TYR A 83 -7.557 6.471 0.487 1.00 2.36 C ATOM 1340 CZ TYR A 83 -7.390 6.697 1.871 1.00 1.79 C ATOM 1341 OH TYR A 83 -6.495 5.969 2.598 1.00 2.21 O ATOM 0 H TYR A 83 -7.584 10.851 -0.864 1.00 1.09 H new ATOM 0 HA TYR A 83 -10.431 11.220 -1.207 1.00 1.15 H new ATOM 0 HB2 TYR A 83 -11.058 9.210 0.082 1.00 1.22 H new ATOM 0 HB3 TYR A 83 -10.240 8.775 -1.405 1.00 1.22 H new ATOM 0 HD1 TYR A 83 -9.586 9.283 2.250 1.00 2.33 H new ATOM 0 HD2 TYR A 83 -8.543 7.114 -1.327 1.00 2.22 H new ATOM 0 HE1 TYR A 83 -8.027 7.871 3.567 1.00 2.53 H new ATOM 0 HE2 TYR A 83 -7.018 5.669 0.005 1.00 2.36 H new ATOM 0 HH TYR A 83 -6.064 5.307 2.018 1.00 2.21 H new ATOM 1351 N ASN A 84 -8.636 12.316 0.967 1.00 1.19 N ATOM 1352 CA ASN A 84 -8.555 13.143 2.180 1.00 1.38 C ATOM 1353 C ASN A 84 -8.594 14.659 1.914 1.00 1.29 C ATOM 1354 O ASN A 84 -7.634 15.395 2.160 1.00 1.58 O ATOM 1355 CB ASN A 84 -7.353 12.703 3.035 1.00 1.64 C ATOM 1356 CG ASN A 84 -7.606 11.414 3.816 1.00 2.81 C ATOM 1357 OD1 ASN A 84 -8.668 11.202 4.379 1.00 4.04 O ATOM 1358 ND2 ASN A 84 -6.633 10.530 3.918 1.00 3.16 N ATOM 0 H ASN A 84 -7.823 12.405 0.358 1.00 1.19 H new ATOM 0 HA ASN A 84 -9.464 12.966 2.754 1.00 1.38 H new ATOM 0 HB2 ASN A 84 -6.487 12.563 2.388 1.00 1.64 H new ATOM 0 HB3 ASN A 84 -7.102 13.500 3.735 1.00 1.64 H new ATOM 0 HD21 ASN A 84 -6.772 9.679 4.463 1.00 3.16 H new ATOM 0 HD22 ASN A 84 -5.741 10.697 3.452 1.00 3.16 H new ATOM 1365 N ASP A 85 -9.773 15.144 1.517 1.00 1.53 N ATOM 1366 CA ASP A 85 -10.184 16.552 1.396 1.00 1.66 C ATOM 1367 C ASP A 85 -9.886 17.396 2.653 1.00 2.11 C ATOM 1368 O ASP A 85 -9.735 18.616 2.570 1.00 2.46 O ATOM 1369 CB ASP A 85 -11.710 16.603 1.139 1.00 2.31 C ATOM 1370 CG ASP A 85 -12.246 15.803 -0.065 1.00 2.96 C ATOM 1371 OD1 ASP A 85 -11.763 14.666 -0.289 1.00 3.38 O ATOM 1372 OD2 ASP A 85 -13.197 16.303 -0.703 1.00 3.94 O ATOM 0 H ASP A 85 -10.529 14.514 1.249 1.00 1.53 H new ATOM 0 HA ASP A 85 -9.607 16.976 0.574 1.00 1.66 H new ATOM 0 HB2 ASP A 85 -12.216 16.245 2.035 1.00 2.31 H new ATOM 0 HB3 ASP A 85 -11.996 17.646 1.006 1.00 2.31 H new ATOM 1377 N PHE A 86 -9.749 16.757 3.823 1.00 2.50 N ATOM 1378 CA PHE A 86 -9.360 17.374 5.094 1.00 3.28 C ATOM 1379 C PHE A 86 -8.015 18.117 5.012 1.00 3.45 C ATOM 1380 O PHE A 86 -7.769 19.058 5.768 1.00 4.33 O ATOM 1381 CB PHE A 86 -9.289 16.278 6.170 1.00 3.79 C ATOM 1382 CG PHE A 86 -10.442 15.289 6.143 1.00 3.74 C ATOM 1383 CD1 PHE A 86 -11.736 15.692 6.529 1.00 4.18 C ATOM 1384 CD2 PHE A 86 -10.230 13.980 5.669 1.00 4.07 C ATOM 1385 CE1 PHE A 86 -12.810 14.789 6.435 1.00 4.49 C ATOM 1386 CE2 PHE A 86 -11.305 13.082 5.565 1.00 4.55 C ATOM 1387 CZ PHE A 86 -12.596 13.487 5.949 1.00 4.57 C ATOM 0 H PHE A 86 -9.914 15.754 3.911 1.00 2.50 H new ATOM 0 HA PHE A 86 -10.112 18.121 5.348 1.00 3.28 H new ATOM 0 HB2 PHE A 86 -8.355 15.730 6.050 1.00 3.79 H new ATOM 0 HB3 PHE A 86 -9.257 16.752 7.151 1.00 3.79 H new ATOM 0 HD1 PHE A 86 -11.903 16.694 6.897 1.00 4.18 H new ATOM 0 HD2 PHE A 86 -9.237 13.665 5.384 1.00 4.07 H new ATOM 0 HE1 PHE A 86 -13.801 15.096 6.737 1.00 4.49 H new ATOM 0 HE2 PHE A 86 -11.141 12.082 5.191 1.00 4.55 H new ATOM 0 HZ PHE A 86 -13.424 12.797 5.871 1.00 4.57 H new ATOM 1397 N PHE A 87 -7.125 17.694 4.104 1.00 2.89 N ATOM 1398 CA PHE A 87 -5.811 18.316 3.906 1.00 3.42 C ATOM 1399 C PHE A 87 -5.879 19.573 3.021 1.00 3.37 C ATOM 1400 O PHE A 87 -4.917 20.343 2.960 1.00 3.84 O ATOM 1401 CB PHE A 87 -4.840 17.276 3.325 1.00 3.57 C ATOM 1402 CG PHE A 87 -4.745 15.933 4.035 1.00 3.47 C ATOM 1403 CD1 PHE A 87 -5.065 15.789 5.400 1.00 3.60 C ATOM 1404 CD2 PHE A 87 -4.338 14.803 3.297 1.00 4.00 C ATOM 1405 CE1 PHE A 87 -5.058 14.516 5.996 1.00 3.88 C ATOM 1406 CE2 PHE A 87 -4.292 13.539 3.904 1.00 4.17 C ATOM 1407 CZ PHE A 87 -4.691 13.391 5.244 1.00 3.95 C ATOM 0 H PHE A 87 -7.299 16.904 3.482 1.00 2.89 H new ATOM 0 HA PHE A 87 -5.446 18.653 4.876 1.00 3.42 H new ATOM 0 HB2 PHE A 87 -5.125 17.090 2.290 1.00 3.57 H new ATOM 0 HB3 PHE A 87 -3.844 17.718 3.307 1.00 3.57 H new ATOM 0 HD1 PHE A 87 -5.316 16.659 5.989 1.00 3.60 H new ATOM 0 HD2 PHE A 87 -4.060 14.911 2.259 1.00 4.00 H new ATOM 0 HE1 PHE A 87 -5.335 14.404 7.034 1.00 3.88 H new ATOM 0 HE2 PHE A 87 -3.951 12.681 3.343 1.00 4.17 H new ATOM 0 HZ PHE A 87 -4.715 12.410 5.695 1.00 3.95 H new ATOM 1417 N LEU A 88 -7.017 19.777 2.347 1.00 2.86 N ATOM 1418 CA LEU A 88 -7.312 20.874 1.435 1.00 2.77 C ATOM 1419 C LEU A 88 -8.049 21.987 2.204 1.00 2.90 C ATOM 1420 O LEU A 88 -7.536 22.481 3.214 1.00 3.78 O ATOM 1421 CB LEU A 88 -8.019 20.279 0.182 1.00 2.30 C ATOM 1422 CG LEU A 88 -7.122 19.530 -0.834 1.00 2.95 C ATOM 1423 CD1 LEU A 88 -6.041 20.448 -1.424 1.00 3.43 C ATOM 1424 CD2 LEU A 88 -6.454 18.265 -0.269 1.00 3.47 C ATOM 0 H LEU A 88 -7.804 19.134 2.434 1.00 2.86 H new ATOM 0 HA LEU A 88 -6.426 21.375 1.046 1.00 2.77 H new ATOM 0 HB2 LEU A 88 -8.794 19.592 0.523 1.00 2.30 H new ATOM 0 HB3 LEU A 88 -8.522 21.091 -0.343 1.00 2.30 H new ATOM 0 HG LEU A 88 -7.808 19.212 -1.619 1.00 2.95 H new ATOM 0 HD11 LEU A 88 -5.433 19.885 -2.132 1.00 3.43 H new ATOM 0 HD12 LEU A 88 -6.515 21.285 -1.937 1.00 3.43 H new ATOM 0 HD13 LEU A 88 -5.407 20.826 -0.622 1.00 3.43 H new ATOM 0 HD21 LEU A 88 -5.844 17.799 -1.043 1.00 3.47 H new ATOM 0 HD22 LEU A 88 -5.823 18.534 0.578 1.00 3.47 H new ATOM 0 HD23 LEU A 88 -7.221 17.564 0.059 1.00 3.47 H new ATOM 1436 N GLU A 89 -9.198 22.415 1.699 1.00 2.52 N ATOM 1437 CA GLU A 89 -9.897 23.658 2.067 1.00 2.94 C ATOM 1438 C GLU A 89 -11.268 23.731 1.383 1.00 2.73 C ATOM 1439 O GLU A 89 -12.240 24.176 1.985 1.00 3.12 O ATOM 1440 CB GLU A 89 -9.038 24.861 1.617 1.00 3.58 C ATOM 1441 CG GLU A 89 -9.624 26.235 1.965 1.00 4.47 C ATOM 1442 CD GLU A 89 -8.885 27.332 1.206 1.00 5.70 C ATOM 1443 OE1 GLU A 89 -9.234 27.538 0.018 1.00 6.73 O ATOM 1444 OE2 GLU A 89 -7.971 27.947 1.792 1.00 6.14 O ATOM 0 H GLU A 89 -9.700 21.885 0.986 1.00 2.52 H new ATOM 0 HA GLU A 89 -10.047 23.678 3.147 1.00 2.94 H new ATOM 0 HB2 GLU A 89 -8.052 24.776 2.073 1.00 3.58 H new ATOM 0 HB3 GLU A 89 -8.896 24.805 0.538 1.00 3.58 H new ATOM 0 HG2 GLU A 89 -10.684 26.260 1.714 1.00 4.47 H new ATOM 0 HG3 GLU A 89 -9.547 26.410 3.038 1.00 4.47 H new ATOM 1451 N ASP A 90 -11.307 23.292 0.125 1.00 2.63 N ATOM 1452 CA ASP A 90 -12.282 23.526 -0.944 1.00 3.06 C ATOM 1453 C ASP A 90 -11.630 22.940 -2.228 1.00 3.31 C ATOM 1454 O ASP A 90 -10.570 22.317 -2.149 1.00 3.62 O ATOM 1455 CB ASP A 90 -12.628 25.037 -0.994 1.00 3.87 C ATOM 1456 CG ASP A 90 -13.372 25.519 -2.244 1.00 4.92 C ATOM 1457 OD1 ASP A 90 -14.364 24.874 -2.648 1.00 5.46 O ATOM 1458 OD2 ASP A 90 -12.878 26.497 -2.849 1.00 5.76 O ATOM 0 H ASP A 90 -10.559 22.686 -0.212 1.00 2.63 H new ATOM 0 HA ASP A 90 -13.245 23.037 -0.800 1.00 3.06 H new ATOM 0 HB2 ASP A 90 -13.233 25.279 -0.120 1.00 3.87 H new ATOM 0 HB3 ASP A 90 -11.701 25.604 -0.907 1.00 3.87 H new ATOM 1463 N ASN A 91 -12.230 23.143 -3.401 1.00 4.12 N ATOM 1464 CA ASN A 91 -11.793 22.703 -4.731 1.00 4.91 C ATOM 1465 C ASN A 91 -10.372 23.201 -5.107 1.00 4.83 C ATOM 1466 O ASN A 91 -10.225 24.232 -5.773 1.00 5.46 O ATOM 1467 CB ASN A 91 -12.841 23.188 -5.758 1.00 6.10 C ATOM 1468 CG ASN A 91 -14.220 22.557 -5.593 1.00 7.05 C ATOM 1469 OD1 ASN A 91 -14.583 21.638 -6.316 1.00 7.95 O ATOM 1470 ND2 ASN A 91 -15.043 23.024 -4.668 1.00 7.53 N ATOM 0 H ASN A 91 -13.107 23.662 -3.452 1.00 4.12 H new ATOM 0 HA ASN A 91 -11.723 21.615 -4.730 1.00 4.91 H new ATOM 0 HB2 ASN A 91 -12.938 24.271 -5.677 1.00 6.10 H new ATOM 0 HB3 ASN A 91 -12.474 22.975 -6.762 1.00 6.10 H new ATOM 0 HD21 ASN A 91 -15.973 22.619 -4.561 1.00 7.53 H new ATOM 0 HD22 ASN A 91 -14.748 23.789 -4.062 1.00 7.53 H new ATOM 1477 N LYS A 92 -9.341 22.469 -4.670 1.00 4.53 N ATOM 1478 CA LYS A 92 -7.895 22.710 -4.825 1.00 4.94 C ATOM 1479 C LYS A 92 -7.099 21.399 -4.797 1.00 5.57 C ATOM 1480 O LYS A 92 -7.625 20.417 -4.235 1.00 6.04 O ATOM 1481 CB LYS A 92 -7.366 23.623 -3.699 1.00 5.03 C ATOM 1482 CG LYS A 92 -7.758 25.097 -3.852 1.00 5.53 C ATOM 1483 CD LYS A 92 -8.923 25.524 -2.949 1.00 5.53 C ATOM 1484 CE LYS A 92 -9.337 26.949 -3.316 1.00 6.47 C ATOM 1485 NZ LYS A 92 -10.380 27.457 -2.400 1.00 6.99 N ATOM 1486 OXT LYS A 92 -5.952 21.439 -5.292 1.00 6.22 O ATOM 0 H LYS A 92 -9.511 21.609 -4.148 1.00 4.53 H new ATOM 0 HA LYS A 92 -7.760 23.194 -5.792 1.00 4.94 H new ATOM 0 HB2 LYS A 92 -7.740 23.256 -2.743 1.00 5.03 H new ATOM 0 HB3 LYS A 92 -6.279 23.549 -3.666 1.00 5.03 H new ATOM 0 HG2 LYS A 92 -6.891 25.719 -3.630 1.00 5.53 H new ATOM 0 HG3 LYS A 92 -8.028 25.286 -4.891 1.00 5.53 H new ATOM 0 HD2 LYS A 92 -9.765 24.843 -3.073 1.00 5.53 H new ATOM 0 HD3 LYS A 92 -8.625 25.476 -1.902 1.00 5.53 H new ATOM 0 HE2 LYS A 92 -8.467 27.604 -3.279 1.00 6.47 H new ATOM 0 HE3 LYS A 92 -9.708 26.970 -4.341 1.00 6.47 H new ATOM 0 HZ1 LYS A 92 -10.484 28.484 -2.528 1.00 6.99 H new ATOM 0 HZ2 LYS A 92 -11.285 26.989 -2.610 1.00 6.99 H new ATOM 0 HZ3 LYS A 92 -10.106 27.256 -1.417 1.00 6.99 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -15.364 0.881 7.580 1.00 5.59 N ATOM 1502 CA MET B 1 -14.453 0.016 8.364 1.00 4.83 C ATOM 1503 C MET B 1 -13.455 0.880 9.111 1.00 3.51 C ATOM 1504 O MET B 1 -13.400 2.079 8.868 1.00 4.38 O ATOM 1505 CB MET B 1 -13.680 -0.989 7.480 1.00 5.74 C ATOM 1506 CG MET B 1 -14.595 -1.809 6.567 1.00 7.44 C ATOM 1507 SD MET B 1 -16.041 -2.505 7.414 1.00 8.45 S ATOM 1508 CE MET B 1 -15.479 -4.213 7.665 1.00 9.55 C ATOM 0 H1 MET B 1 -16.315 0.460 7.565 1.00 5.59 H new ATOM 0 H2 MET B 1 -15.409 1.824 8.017 1.00 5.59 H new ATOM 0 H3 MET B 1 -15.008 0.967 6.607 1.00 5.59 H new ATOM 0 HA MET B 1 -15.070 -0.557 9.056 1.00 4.83 H new ATOM 0 HB2 MET B 1 -12.958 -0.447 6.869 1.00 5.74 H new ATOM 0 HB3 MET B 1 -13.113 -1.666 8.119 1.00 5.74 H new ATOM 0 HG2 MET B 1 -14.935 -1.177 5.747 1.00 7.44 H new ATOM 0 HG3 MET B 1 -14.018 -2.622 6.125 1.00 7.44 H new ATOM 0 HE1 MET B 1 -16.256 -4.780 8.177 1.00 9.55 H new ATOM 0 HE2 MET B 1 -15.271 -4.673 6.699 1.00 9.55 H new ATOM 0 HE3 MET B 1 -14.572 -4.212 8.270 1.00 9.55 H new ATOM 1517 N GLU B 2 -12.620 0.255 9.926 1.00 2.30 N ATOM 1518 CA GLU B 2 -11.187 0.501 9.847 1.00 1.81 C ATOM 1519 C GLU B 2 -10.489 -0.863 9.727 1.00 1.75 C ATOM 1520 O GLU B 2 -11.140 -1.904 9.869 1.00 2.63 O ATOM 1521 CB GLU B 2 -10.673 1.321 11.035 1.00 2.67 C ATOM 1522 CG GLU B 2 -10.901 0.670 12.404 1.00 3.18 C ATOM 1523 CD GLU B 2 -9.965 1.286 13.436 1.00 4.41 C ATOM 1524 OE1 GLU B 2 -9.815 2.527 13.468 1.00 4.97 O ATOM 1525 OE2 GLU B 2 -9.295 0.529 14.169 1.00 5.43 O ATOM 0 H GLU B 2 -12.903 -0.417 10.640 1.00 2.30 H new ATOM 0 HA GLU B 2 -10.960 1.109 8.971 1.00 1.81 H new ATOM 0 HB2 GLU B 2 -9.605 1.497 10.904 1.00 2.67 H new ATOM 0 HB3 GLU B 2 -11.160 2.296 11.025 1.00 2.67 H new ATOM 0 HG2 GLU B 2 -11.937 0.807 12.713 1.00 3.18 H new ATOM 0 HG3 GLU B 2 -10.727 -0.404 12.339 1.00 3.18 H new ATOM 1532 N THR B 3 -9.190 -0.833 9.442 1.00 1.10 N ATOM 1533 CA THR B 3 -8.305 -1.983 9.207 1.00 1.07 C ATOM 1534 C THR B 3 -6.915 -1.693 9.778 1.00 0.98 C ATOM 1535 O THR B 3 -6.570 -0.517 9.950 1.00 1.01 O ATOM 1536 CB THR B 3 -8.203 -2.291 7.708 1.00 1.19 C ATOM 1537 OG1 THR B 3 -8.229 -1.097 6.970 1.00 1.70 O ATOM 1538 CG2 THR B 3 -9.342 -3.193 7.238 1.00 1.63 C ATOM 0 H THR B 3 -8.689 0.052 9.363 1.00 1.10 H new ATOM 0 HA THR B 3 -8.726 -2.854 9.709 1.00 1.07 H new ATOM 0 HB THR B 3 -7.260 -2.814 7.545 1.00 1.19 H new ATOM 0 HG1 THR B 3 -9.091 -1.015 6.511 1.00 1.70 H new ATOM 0 HG21 THR B 3 -9.235 -3.388 6.171 1.00 1.63 H new ATOM 0 HG22 THR B 3 -9.309 -4.135 7.785 1.00 1.63 H new ATOM 0 HG23 THR B 3 -10.296 -2.700 7.422 1.00 1.63 H new ATOM 1546 N PRO B 4 -6.112 -2.723 10.104 1.00 1.03 N ATOM 1547 CA PRO B 4 -4.916 -2.544 10.921 1.00 1.08 C ATOM 1548 C PRO B 4 -3.804 -1.771 10.214 1.00 0.95 C ATOM 1549 O PRO B 4 -3.088 -1.043 10.893 1.00 1.03 O ATOM 1550 CB PRO B 4 -4.464 -3.958 11.309 1.00 1.34 C ATOM 1551 CG PRO B 4 -5.024 -4.834 10.185 1.00 1.35 C ATOM 1552 CD PRO B 4 -6.343 -4.141 9.851 1.00 1.22 C ATOM 0 HA PRO B 4 -5.146 -1.933 11.794 1.00 1.08 H new ATOM 0 HB2 PRO B 4 -3.378 -4.029 11.370 1.00 1.34 H new ATOM 0 HB3 PRO B 4 -4.858 -4.253 12.282 1.00 1.34 H new ATOM 0 HG2 PRO B 4 -4.355 -4.868 9.325 1.00 1.35 H new ATOM 0 HG3 PRO B 4 -5.177 -5.863 10.511 1.00 1.35 H new ATOM 0 HD2 PRO B 4 -6.625 -4.314 8.812 1.00 1.22 H new ATOM 0 HD3 PRO B 4 -7.155 -4.523 10.470 1.00 1.22 H new ATOM 1560 N LEU B 5 -3.663 -1.858 8.885 1.00 0.85 N ATOM 1561 CA LEU B 5 -2.643 -1.084 8.169 1.00 0.79 C ATOM 1562 C LEU B 5 -2.950 0.415 8.144 1.00 0.70 C ATOM 1563 O LEU B 5 -2.012 1.203 8.062 1.00 0.76 O ATOM 1564 CB LEU B 5 -2.414 -1.663 6.768 1.00 0.83 C ATOM 1565 CG LEU B 5 -1.206 -1.106 5.982 1.00 0.97 C ATOM 1566 CD1 LEU B 5 0.076 -0.958 6.816 1.00 1.70 C ATOM 1567 CD2 LEU B 5 -0.923 -2.051 4.805 1.00 1.70 C ATOM 0 H LEU B 5 -4.238 -2.452 8.288 1.00 0.85 H new ATOM 0 HA LEU B 5 -1.709 -1.177 8.722 1.00 0.79 H new ATOM 0 HB2 LEU B 5 -2.293 -2.742 6.860 1.00 0.83 H new ATOM 0 HB3 LEU B 5 -3.314 -1.493 6.177 1.00 0.83 H new ATOM 0 HG LEU B 5 -1.476 -0.102 5.656 1.00 0.97 H new ATOM 0 HD11 LEU B 5 0.874 -0.561 6.189 1.00 1.70 H new ATOM 0 HD12 LEU B 5 -0.107 -0.275 7.646 1.00 1.70 H new ATOM 0 HD13 LEU B 5 0.371 -1.932 7.206 1.00 1.70 H new ATOM 0 HD21 LEU B 5 -0.073 -1.677 4.235 1.00 1.70 H new ATOM 0 HD22 LEU B 5 -0.696 -3.047 5.185 1.00 1.70 H new ATOM 0 HD23 LEU B 5 -1.800 -2.100 4.159 1.00 1.70 H new ATOM 1579 N GLU B 6 -4.211 0.828 8.296 1.00 0.78 N ATOM 1580 CA GLU B 6 -4.553 2.251 8.407 1.00 0.91 C ATOM 1581 C GLU B 6 -3.856 2.906 9.613 1.00 1.01 C ATOM 1582 O GLU B 6 -3.510 4.083 9.592 1.00 1.13 O ATOM 1583 CB GLU B 6 -6.085 2.418 8.446 1.00 1.14 C ATOM 1584 CG GLU B 6 -6.555 3.874 8.483 1.00 1.63 C ATOM 1585 CD GLU B 6 -5.870 4.747 7.432 1.00 2.74 C ATOM 1586 OE1 GLU B 6 -5.736 4.286 6.275 1.00 3.49 O ATOM 1587 OE2 GLU B 6 -5.425 5.853 7.811 1.00 3.81 O ATOM 0 H GLU B 6 -5.012 0.199 8.345 1.00 0.78 H new ATOM 0 HA GLU B 6 -4.183 2.775 7.526 1.00 0.91 H new ATOM 0 HB2 GLU B 6 -6.515 1.931 7.571 1.00 1.14 H new ATOM 0 HB3 GLU B 6 -6.474 1.900 9.322 1.00 1.14 H new ATOM 0 HG2 GLU B 6 -7.633 3.906 8.328 1.00 1.63 H new ATOM 0 HG3 GLU B 6 -6.363 4.288 9.473 1.00 1.63 H new ATOM 1594 N LYS B 7 -3.526 2.123 10.648 1.00 1.06 N ATOM 1595 CA LYS B 7 -2.732 2.610 11.783 1.00 1.31 C ATOM 1596 C LYS B 7 -1.322 3.101 11.390 1.00 1.28 C ATOM 1597 O LYS B 7 -0.695 3.823 12.169 1.00 1.62 O ATOM 1598 CB LYS B 7 -2.701 1.552 12.904 1.00 1.55 C ATOM 1599 CG LYS B 7 -4.068 0.992 13.313 1.00 1.53 C ATOM 1600 CD LYS B 7 -5.115 2.083 13.544 1.00 1.97 C ATOM 1601 CE LYS B 7 -6.283 1.433 14.268 1.00 2.82 C ATOM 1602 NZ LYS B 7 -7.378 2.386 14.543 1.00 3.59 N ATOM 0 H LYS B 7 -3.799 1.143 10.722 1.00 1.06 H new ATOM 0 HA LYS B 7 -3.231 3.500 12.165 1.00 1.31 H new ATOM 0 HB2 LYS B 7 -2.069 0.724 12.583 1.00 1.55 H new ATOM 0 HB3 LYS B 7 -2.229 1.991 13.783 1.00 1.55 H new ATOM 0 HG2 LYS B 7 -4.423 0.313 12.538 1.00 1.53 H new ATOM 0 HG3 LYS B 7 -3.956 0.404 14.224 1.00 1.53 H new ATOM 0 HD2 LYS B 7 -4.699 2.897 14.137 1.00 1.97 H new ATOM 0 HD3 LYS B 7 -5.440 2.513 12.596 1.00 1.97 H new ATOM 0 HE2 LYS B 7 -6.666 0.608 13.667 1.00 2.82 H new ATOM 0 HE3 LYS B 7 -5.932 1.006 15.208 1.00 2.82 H new ATOM 0 HZ1 LYS B 7 -8.196 1.873 14.929 1.00 3.59 H new ATOM 0 HZ2 LYS B 7 -7.056 3.094 15.233 1.00 3.59 H new ATOM 0 HZ3 LYS B 7 -7.653 2.862 13.661 1.00 3.59 H new ATOM 1616 N ALA B 8 -0.833 2.775 10.188 1.00 1.04 N ATOM 1617 CA ALA B 8 0.273 3.497 9.559 1.00 1.05 C ATOM 1618 C ALA B 8 -0.171 4.879 9.045 1.00 0.75 C ATOM 1619 O ALA B 8 0.264 5.891 9.594 1.00 0.68 O ATOM 1620 CB ALA B 8 0.899 2.632 8.462 1.00 1.30 C ATOM 0 H ALA B 8 -1.194 2.004 9.627 1.00 1.04 H new ATOM 0 HA ALA B 8 1.040 3.692 10.308 1.00 1.05 H new ATOM 0 HB1 ALA B 8 1.722 3.174 7.997 1.00 1.30 H new ATOM 0 HB2 ALA B 8 1.275 1.707 8.898 1.00 1.30 H new ATOM 0 HB3 ALA B 8 0.146 2.399 7.709 1.00 1.30 H new ATOM 1626 N LEU B 9 -1.058 4.923 8.042 1.00 0.69 N ATOM 1627 CA LEU B 9 -1.477 6.135 7.330 1.00 0.63 C ATOM 1628 C LEU B 9 -2.046 7.196 8.288 1.00 0.57 C ATOM 1629 O LEU B 9 -1.484 8.293 8.348 1.00 0.58 O ATOM 1630 CB LEU B 9 -2.495 5.770 6.226 1.00 0.62 C ATOM 1631 CG LEU B 9 -1.983 5.081 4.944 1.00 0.61 C ATOM 1632 CD1 LEU B 9 -0.912 5.918 4.225 1.00 0.71 C ATOM 1633 CD2 LEU B 9 -1.467 3.659 5.200 1.00 0.68 C ATOM 0 H LEU B 9 -1.520 4.084 7.692 1.00 0.69 H new ATOM 0 HA LEU B 9 -0.597 6.577 6.863 1.00 0.63 H new ATOM 0 HB2 LEU B 9 -3.248 5.120 6.672 1.00 0.62 H new ATOM 0 HB3 LEU B 9 -3.002 6.688 5.928 1.00 0.62 H new ATOM 0 HG LEU B 9 -2.850 5.002 4.288 1.00 0.61 H new ATOM 0 HD11 LEU B 9 -0.581 5.393 3.329 1.00 0.71 H new ATOM 0 HD12 LEU B 9 -1.332 6.884 3.946 1.00 0.71 H new ATOM 0 HD13 LEU B 9 -0.062 6.071 4.890 1.00 0.71 H new ATOM 0 HD21 LEU B 9 -1.120 3.224 4.263 1.00 0.68 H new ATOM 0 HD22 LEU B 9 -0.642 3.694 5.912 1.00 0.68 H new ATOM 0 HD23 LEU B 9 -2.272 3.048 5.608 1.00 0.68 H new ATOM 1645 N THR B 10 -3.069 6.853 9.092 1.00 0.59 N ATOM 1646 CA THR B 10 -3.677 7.720 10.122 1.00 0.56 C ATOM 1647 C THR B 10 -2.624 8.332 11.039 1.00 0.54 C ATOM 1648 O THR B 10 -2.660 9.539 11.277 1.00 0.55 O ATOM 1649 CB THR B 10 -4.737 6.944 10.914 1.00 0.64 C ATOM 1650 OG1 THR B 10 -5.898 6.871 10.131 1.00 1.15 O ATOM 1651 CG2 THR B 10 -5.179 7.629 12.211 1.00 1.17 C ATOM 0 H THR B 10 -3.511 5.935 9.042 1.00 0.59 H new ATOM 0 HA THR B 10 -4.171 8.550 9.617 1.00 0.56 H new ATOM 0 HB THR B 10 -4.283 5.983 11.157 1.00 0.64 H new ATOM 0 HG1 THR B 10 -5.652 6.729 9.193 1.00 1.15 H new ATOM 0 HG21 THR B 10 -5.929 7.015 12.709 1.00 1.17 H new ATOM 0 HG22 THR B 10 -4.318 7.755 12.868 1.00 1.17 H new ATOM 0 HG23 THR B 10 -5.605 8.606 11.980 1.00 1.17 H new ATOM 1659 N THR B 11 -1.649 7.550 11.511 1.00 0.57 N ATOM 1660 CA THR B 11 -0.565 8.035 12.389 1.00 0.55 C ATOM 1661 C THR B 11 0.380 8.973 11.644 1.00 0.55 C ATOM 1662 O THR B 11 0.762 10.009 12.186 1.00 0.61 O ATOM 1663 CB THR B 11 0.215 6.866 12.992 1.00 0.60 C ATOM 1664 OG1 THR B 11 -0.675 6.029 13.685 1.00 0.70 O ATOM 1665 CG2 THR B 11 1.264 7.316 14.007 1.00 0.66 C ATOM 0 H THR B 11 -1.584 6.555 11.297 1.00 0.57 H new ATOM 0 HA THR B 11 -1.030 8.597 13.199 1.00 0.55 H new ATOM 0 HB THR B 11 0.711 6.363 12.162 1.00 0.60 H new ATOM 0 HG1 THR B 11 -0.773 5.183 13.200 1.00 0.70 H new ATOM 0 HG21 THR B 11 1.786 6.444 14.402 1.00 0.66 H new ATOM 0 HG22 THR B 11 1.980 7.978 13.521 1.00 0.66 H new ATOM 0 HG23 THR B 11 0.775 7.847 14.824 1.00 0.66 H new ATOM 1673 N MET B 12 0.728 8.649 10.395 1.00 0.55 N ATOM 1674 CA MET B 12 1.569 9.485 9.525 1.00 0.58 C ATOM 1675 C MET B 12 0.901 10.821 9.186 1.00 0.62 C ATOM 1676 O MET B 12 1.528 11.861 9.356 1.00 0.69 O ATOM 1677 CB MET B 12 1.911 8.692 8.254 1.00 0.59 C ATOM 1678 CG MET B 12 2.968 7.621 8.523 1.00 0.71 C ATOM 1679 SD MET B 12 2.984 6.289 7.298 1.00 0.99 S ATOM 1680 CE MET B 12 4.678 6.444 6.681 1.00 0.68 C ATOM 0 H MET B 12 0.428 7.782 9.949 1.00 0.55 H new ATOM 0 HA MET B 12 2.486 9.733 10.059 1.00 0.58 H new ATOM 0 HB2 MET B 12 1.008 8.222 7.864 1.00 0.59 H new ATOM 0 HB3 MET B 12 2.272 9.375 7.485 1.00 0.59 H new ATOM 0 HG2 MET B 12 3.951 8.092 8.548 1.00 0.71 H new ATOM 0 HG3 MET B 12 2.795 7.192 9.510 1.00 0.71 H new ATOM 0 HE1 MET B 12 4.823 5.764 5.841 1.00 0.68 H new ATOM 0 HE2 MET B 12 4.853 7.469 6.353 1.00 0.68 H new ATOM 0 HE3 MET B 12 5.379 6.193 7.477 1.00 0.68 H new ATOM 1690 N VAL B 13 -0.371 10.825 8.778 1.00 0.60 N ATOM 1691 CA VAL B 13 -1.110 12.070 8.484 1.00 0.64 C ATOM 1692 C VAL B 13 -1.370 12.884 9.758 1.00 0.63 C ATOM 1693 O VAL B 13 -1.276 14.107 9.715 1.00 0.69 O ATOM 1694 CB VAL B 13 -2.418 11.856 7.680 1.00 0.69 C ATOM 1695 CG1 VAL B 13 -2.120 11.157 6.345 1.00 0.73 C ATOM 1696 CG2 VAL B 13 -3.514 11.103 8.442 1.00 0.67 C ATOM 0 H VAL B 13 -0.920 9.976 8.641 1.00 0.60 H new ATOM 0 HA VAL B 13 -0.454 12.646 7.831 1.00 0.64 H new ATOM 0 HB VAL B 13 -2.816 12.854 7.499 1.00 0.69 H new ATOM 0 HG11 VAL B 13 -3.049 11.015 5.793 1.00 0.73 H new ATOM 0 HG12 VAL B 13 -1.439 11.772 5.756 1.00 0.73 H new ATOM 0 HG13 VAL B 13 -1.660 10.188 6.537 1.00 0.73 H new ATOM 0 HG21 VAL B 13 -4.393 10.998 7.806 1.00 0.67 H new ATOM 0 HG22 VAL B 13 -3.149 10.115 8.723 1.00 0.67 H new ATOM 0 HG23 VAL B 13 -3.781 11.660 9.340 1.00 0.67 H new ATOM 1706 N THR B 14 -1.609 12.236 10.912 1.00 0.59 N ATOM 1707 CA THR B 14 -1.784 12.921 12.208 1.00 0.62 C ATOM 1708 C THR B 14 -0.500 13.604 12.662 1.00 0.62 C ATOM 1709 O THR B 14 -0.562 14.773 13.032 1.00 0.79 O ATOM 1710 CB THR B 14 -2.306 11.971 13.290 1.00 0.63 C ATOM 1711 OG1 THR B 14 -3.552 11.488 12.870 1.00 0.91 O ATOM 1712 CG2 THR B 14 -2.556 12.675 14.628 1.00 0.93 C ATOM 0 H THR B 14 -1.687 11.221 10.974 1.00 0.59 H new ATOM 0 HA THR B 14 -2.538 13.693 12.054 1.00 0.62 H new ATOM 0 HB THR B 14 -1.554 11.195 13.431 1.00 0.63 H new ATOM 0 HG1 THR B 14 -3.443 10.594 12.483 1.00 0.91 H new ATOM 0 HG21 THR B 14 -2.925 11.952 15.356 1.00 0.93 H new ATOM 0 HG22 THR B 14 -1.625 13.111 14.989 1.00 0.93 H new ATOM 0 HG23 THR B 14 -3.297 13.463 14.492 1.00 0.93 H new ATOM 1720 N THR B 15 0.655 12.929 12.591 1.00 0.56 N ATOM 1721 CA THR B 15 1.958 13.524 12.949 1.00 0.59 C ATOM 1722 C THR B 15 2.401 14.585 11.954 1.00 0.62 C ATOM 1723 O THR B 15 2.896 15.618 12.388 1.00 0.80 O ATOM 1724 CB THR B 15 3.069 12.488 13.125 1.00 0.66 C ATOM 1725 OG1 THR B 15 3.018 11.532 12.102 1.00 1.42 O ATOM 1726 CG2 THR B 15 2.966 11.785 14.475 1.00 1.08 C ATOM 0 H THR B 15 0.717 11.958 12.285 1.00 0.56 H new ATOM 0 HA THR B 15 1.791 13.998 13.916 1.00 0.59 H new ATOM 0 HB THR B 15 4.019 13.021 13.080 1.00 0.66 H new ATOM 0 HG1 THR B 15 2.268 10.922 12.262 1.00 1.42 H new ATOM 0 HG21 THR B 15 3.770 11.055 14.568 1.00 1.08 H new ATOM 0 HG22 THR B 15 3.049 12.520 15.275 1.00 1.08 H new ATOM 0 HG23 THR B 15 2.005 11.276 14.548 1.00 1.08 H new ATOM 1734 N PHE B 16 2.167 14.394 10.654 1.00 0.53 N ATOM 1735 CA PHE B 16 2.414 15.413 9.627 1.00 0.54 C ATOM 1736 C PHE B 16 1.543 16.657 9.869 1.00 0.58 C ATOM 1737 O PHE B 16 2.031 17.788 9.833 1.00 0.68 O ATOM 1738 CB PHE B 16 2.153 14.748 8.263 1.00 0.56 C ATOM 1739 CG PHE B 16 2.577 15.517 7.027 1.00 0.58 C ATOM 1740 CD1 PHE B 16 1.912 16.691 6.639 1.00 1.99 C ATOM 1741 CD2 PHE B 16 3.604 14.998 6.209 1.00 2.02 C ATOM 1742 CE1 PHE B 16 2.285 17.355 5.460 1.00 1.95 C ATOM 1743 CE2 PHE B 16 3.958 15.645 5.016 1.00 2.10 C ATOM 1744 CZ PHE B 16 3.300 16.824 4.645 1.00 0.70 C ATOM 0 H PHE B 16 1.797 13.520 10.279 1.00 0.53 H new ATOM 0 HA PHE B 16 3.442 15.774 9.660 1.00 0.54 H new ATOM 0 HB2 PHE B 16 2.663 13.785 8.253 1.00 0.56 H new ATOM 0 HB3 PHE B 16 1.085 14.544 8.185 1.00 0.56 H new ATOM 0 HD1 PHE B 16 1.112 17.084 7.249 1.00 1.99 H new ATOM 0 HD2 PHE B 16 4.121 14.097 6.504 1.00 2.02 H new ATOM 0 HE1 PHE B 16 1.792 18.274 5.179 1.00 1.95 H new ATOM 0 HE2 PHE B 16 4.734 15.236 4.387 1.00 2.10 H new ATOM 0 HZ PHE B 16 3.573 17.327 3.729 1.00 0.70 H new ATOM 1754 N HIS B 17 0.260 16.466 10.191 1.00 0.58 N ATOM 1755 CA HIS B 17 -0.660 17.542 10.565 1.00 0.71 C ATOM 1756 C HIS B 17 -0.295 18.196 11.906 1.00 0.91 C ATOM 1757 O HIS B 17 -0.584 19.372 12.111 1.00 1.20 O ATOM 1758 CB HIS B 17 -2.100 17.021 10.570 1.00 0.68 C ATOM 1759 CG HIS B 17 -3.110 18.140 10.645 1.00 1.14 C ATOM 1760 ND1 HIS B 17 -3.789 18.579 11.758 1.00 2.08 N ATOM 1761 CD2 HIS B 17 -3.453 18.968 9.614 1.00 1.32 C ATOM 1762 CE1 HIS B 17 -4.531 19.640 11.399 1.00 2.45 C ATOM 1763 NE2 HIS B 17 -4.366 19.912 10.096 1.00 1.96 N ATOM 0 H HIS B 17 -0.175 15.543 10.199 1.00 0.58 H new ATOM 0 HA HIS B 17 -0.570 18.327 9.814 1.00 0.71 H new ATOM 0 HB2 HIS B 17 -2.276 16.435 9.668 1.00 0.68 H new ATOM 0 HB3 HIS B 17 -2.239 16.351 11.418 1.00 0.68 H new ATOM 0 HD1 HIS B 17 -3.738 18.171 12.691 1.00 2.08 H new ATOM 0 HD2 HIS B 17 -3.083 18.905 8.601 1.00 1.32 H new ATOM 0 HE1 HIS B 17 -5.172 20.197 12.067 1.00 2.45 H new ATOM 1772 N LYS B 18 0.418 17.503 12.800 1.00 0.91 N ATOM 1773 CA LYS B 18 0.989 18.101 14.010 1.00 1.15 C ATOM 1774 C LYS B 18 2.133 19.105 13.736 1.00 1.30 C ATOM 1775 O LYS B 18 2.757 19.582 14.691 1.00 1.93 O ATOM 1776 CB LYS B 18 1.414 16.997 14.999 1.00 1.27 C ATOM 1777 CG LYS B 18 1.093 17.407 16.448 1.00 1.64 C ATOM 1778 CD LYS B 18 1.956 16.694 17.499 1.00 2.63 C ATOM 1779 CE LYS B 18 3.156 17.549 17.937 1.00 3.26 C ATOM 1780 NZ LYS B 18 4.130 17.744 16.843 1.00 3.97 N ATOM 0 H LYS B 18 0.616 16.507 12.704 1.00 0.91 H new ATOM 0 HA LYS B 18 0.200 18.700 14.466 1.00 1.15 H new ATOM 0 HB2 LYS B 18 0.899 16.068 14.757 1.00 1.27 H new ATOM 0 HB3 LYS B 18 2.482 16.805 14.899 1.00 1.27 H new ATOM 0 HG2 LYS B 18 1.229 18.484 16.550 1.00 1.64 H new ATOM 0 HG3 LYS B 18 0.043 17.198 16.651 1.00 1.64 H new ATOM 0 HD2 LYS B 18 1.344 16.456 18.369 1.00 2.63 H new ATOM 0 HD3 LYS B 18 2.314 15.748 17.093 1.00 2.63 H new ATOM 0 HE2 LYS B 18 2.801 18.520 18.283 1.00 3.26 H new ATOM 0 HE3 LYS B 18 3.652 17.071 18.782 1.00 3.26 H new ATOM 0 HZ1 LYS B 18 4.905 18.354 17.173 1.00 3.97 H new ATOM 0 HZ2 LYS B 18 4.514 16.822 16.552 1.00 3.97 H new ATOM 0 HZ3 LYS B 18 3.657 18.193 16.033 1.00 3.97 H new ATOM 1794 N TYR B 19 2.415 19.405 12.459 1.00 0.93 N ATOM 1795 CA TYR B 19 3.242 20.516 11.969 1.00 1.02 C ATOM 1796 C TYR B 19 2.565 21.297 10.816 1.00 1.29 C ATOM 1797 O TYR B 19 2.445 22.514 10.924 1.00 2.13 O ATOM 1798 CB TYR B 19 4.621 19.986 11.556 1.00 0.88 C ATOM 1799 CG TYR B 19 5.413 19.454 12.735 1.00 0.82 C ATOM 1800 CD1 TYR B 19 5.210 18.129 13.174 1.00 1.56 C ATOM 1801 CD2 TYR B 19 6.274 20.305 13.454 1.00 2.20 C ATOM 1802 CE1 TYR B 19 5.838 17.669 14.341 1.00 1.49 C ATOM 1803 CE2 TYR B 19 6.909 19.850 14.624 1.00 2.37 C ATOM 1804 CZ TYR B 19 6.674 18.533 15.078 1.00 1.08 C ATOM 1805 OH TYR B 19 7.193 18.118 16.261 1.00 1.30 O ATOM 0 H TYR B 19 2.047 18.841 11.693 1.00 0.93 H new ATOM 0 HA TYR B 19 3.363 21.231 12.783 1.00 1.02 H new ATOM 0 HB2 TYR B 19 4.496 19.193 10.818 1.00 0.88 H new ATOM 0 HB3 TYR B 19 5.185 20.785 11.074 1.00 0.88 H new ATOM 0 HD1 TYR B 19 4.569 17.467 12.610 1.00 1.56 H new ATOM 0 HD2 TYR B 19 6.448 21.312 13.105 1.00 2.20 H new ATOM 0 HE1 TYR B 19 5.681 16.654 14.675 1.00 1.49 H new ATOM 0 HE2 TYR B 19 7.572 20.503 15.172 1.00 2.37 H new ATOM 0 HH TYR B 19 7.315 17.146 16.242 1.00 1.30 H new ATOM 1815 N SER B 20 2.050 20.660 9.756 1.00 0.90 N ATOM 1816 CA SER B 20 1.367 21.381 8.659 1.00 0.95 C ATOM 1817 C SER B 20 0.094 22.119 9.118 1.00 1.16 C ATOM 1818 O SER B 20 -0.183 23.231 8.657 1.00 1.60 O ATOM 1819 CB SER B 20 1.048 20.437 7.484 1.00 0.81 C ATOM 1820 OG SER B 20 0.056 19.470 7.796 1.00 1.55 O ATOM 0 H SER B 20 2.090 19.649 9.629 1.00 0.90 H new ATOM 0 HA SER B 20 2.068 22.143 8.320 1.00 0.95 H new ATOM 0 HB2 SER B 20 0.714 21.029 6.632 1.00 0.81 H new ATOM 0 HB3 SER B 20 1.961 19.926 7.179 1.00 0.81 H new ATOM 0 HG SER B 20 -0.394 19.186 6.973 1.00 1.55 H new ATOM 1826 N GLY B 21 -0.617 21.564 10.110 1.00 1.27 N ATOM 1827 CA GLY B 21 -1.819 22.142 10.729 1.00 1.59 C ATOM 1828 C GLY B 21 -1.561 23.399 11.566 1.00 1.73 C ATOM 1829 O GLY B 21 -2.493 23.934 12.161 1.00 2.03 O ATOM 0 H GLY B 21 -0.361 20.665 10.519 1.00 1.27 H new ATOM 0 HA2 GLY B 21 -2.536 22.384 9.944 1.00 1.59 H new ATOM 0 HA3 GLY B 21 -2.284 21.388 11.364 1.00 1.59 H new ATOM 1832 N ARG B 22 -0.319 23.900 11.575 1.00 1.78 N ATOM 1833 CA ARG B 22 -0.003 25.296 11.881 1.00 1.91 C ATOM 1834 C ARG B 22 -0.753 26.266 10.958 1.00 2.41 C ATOM 1835 O ARG B 22 -1.200 27.315 11.412 1.00 2.93 O ATOM 1836 CB ARG B 22 1.498 25.524 11.732 1.00 1.81 C ATOM 1837 CG ARG B 22 2.222 25.293 13.071 1.00 2.11 C ATOM 1838 CD ARG B 22 3.709 24.947 12.955 1.00 1.86 C ATOM 1839 NE ARG B 22 4.371 25.461 11.760 1.00 2.19 N ATOM 1840 CZ ARG B 22 4.403 26.678 11.239 1.00 3.30 C ATOM 1841 NH1 ARG B 22 3.925 27.751 11.830 1.00 4.16 N ATOM 1842 NH2 ARG B 22 4.865 26.839 10.027 1.00 4.46 N ATOM 0 H ARG B 22 0.505 23.336 11.366 1.00 1.78 H new ATOM 0 HA ARG B 22 -0.318 25.490 12.906 1.00 1.91 H new ATOM 0 HB2 ARG B 22 1.899 24.850 10.975 1.00 1.81 H new ATOM 0 HB3 ARG B 22 1.683 26.540 11.384 1.00 1.81 H new ATOM 0 HG2 ARG B 22 2.120 26.191 13.681 1.00 2.11 H new ATOM 0 HG3 ARG B 22 1.718 24.487 13.604 1.00 2.11 H new ATOM 0 HD2 ARG B 22 4.226 25.334 13.833 1.00 1.86 H new ATOM 0 HD3 ARG B 22 3.817 23.862 12.974 1.00 1.86 H new ATOM 0 HE ARG B 22 4.900 24.763 11.236 1.00 2.19 H new ATOM 0 HH11 ARG B 22 3.494 27.677 12.752 1.00 4.16 H new ATOM 0 HH12 ARG B 22 3.985 28.658 11.367 1.00 4.16 H new ATOM 0 HH21 ARG B 22 5.195 26.033 9.496 1.00 4.46 H new ATOM 0 HH22 ARG B 22 4.896 27.770 9.612 1.00 4.46 H new ATOM 1856 N GLU B 23 -0.810 25.937 9.661 1.00 2.43 N ATOM 1857 CA GLU B 23 -1.137 26.867 8.571 1.00 2.89 C ATOM 1858 C GLU B 23 -2.060 26.227 7.485 1.00 3.14 C ATOM 1859 O GLU B 23 -3.078 25.617 7.816 1.00 4.15 O ATOM 1860 CB GLU B 23 0.185 27.485 8.029 1.00 3.01 C ATOM 1861 CG GLU B 23 0.852 28.496 8.998 1.00 3.61 C ATOM 1862 CD GLU B 23 2.274 28.910 8.605 1.00 3.99 C ATOM 1863 OE1 GLU B 23 2.514 29.126 7.402 1.00 4.59 O ATOM 1864 OE2 GLU B 23 3.139 28.994 9.513 1.00 4.59 O ATOM 0 H GLU B 23 -0.625 24.990 9.331 1.00 2.43 H new ATOM 0 HA GLU B 23 -1.747 27.685 8.953 1.00 2.89 H new ATOM 0 HB2 GLU B 23 0.890 26.681 7.817 1.00 3.01 H new ATOM 0 HB3 GLU B 23 -0.021 27.986 7.083 1.00 3.01 H new ATOM 0 HG2 GLU B 23 0.230 29.389 9.055 1.00 3.61 H new ATOM 0 HG3 GLU B 23 0.877 28.060 9.997 1.00 3.61 H new ATOM 1871 N GLY B 24 -1.794 26.454 6.188 1.00 2.84 N ATOM 1872 CA GLY B 24 -2.804 26.393 5.111 1.00 3.18 C ATOM 1873 C GLY B 24 -2.930 25.065 4.358 1.00 2.67 C ATOM 1874 O GLY B 24 -3.914 24.344 4.519 1.00 3.50 O ATOM 0 H GLY B 24 -0.860 26.688 5.851 1.00 2.84 H new ATOM 0 HA2 GLY B 24 -3.776 26.633 5.542 1.00 3.18 H new ATOM 0 HA3 GLY B 24 -2.576 27.174 4.386 1.00 3.18 H new ATOM 1877 N SER B 25 -1.996 24.774 3.457 1.00 1.97 N ATOM 1878 CA SER B 25 -1.915 23.571 2.612 1.00 1.72 C ATOM 1879 C SER B 25 -1.549 22.317 3.426 1.00 1.59 C ATOM 1880 O SER B 25 -0.431 21.827 3.409 1.00 2.12 O ATOM 1881 CB SER B 25 -0.902 23.829 1.474 1.00 1.94 C ATOM 1882 OG SER B 25 0.160 24.674 1.893 1.00 2.78 O ATOM 0 H SER B 25 -1.220 25.412 3.281 1.00 1.97 H new ATOM 0 HA SER B 25 -2.897 23.373 2.183 1.00 1.72 H new ATOM 0 HB2 SER B 25 -0.495 22.879 1.128 1.00 1.94 H new ATOM 0 HB3 SER B 25 -1.415 24.284 0.627 1.00 1.94 H new ATOM 0 HG SER B 25 0.998 24.374 1.482 1.00 2.78 H new ATOM 1888 N LYS B 26 -2.503 21.760 4.171 1.00 1.22 N ATOM 1889 CA LYS B 26 -2.223 20.768 5.225 1.00 1.12 C ATOM 1890 C LYS B 26 -1.638 19.425 4.721 1.00 1.09 C ATOM 1891 O LYS B 26 -1.200 18.607 5.536 1.00 1.38 O ATOM 1892 CB LYS B 26 -3.512 20.572 6.042 1.00 1.25 C ATOM 1893 CG LYS B 26 -3.842 21.773 6.948 1.00 1.63 C ATOM 1894 CD LYS B 26 -5.309 21.778 7.410 1.00 1.84 C ATOM 1895 CE LYS B 26 -6.336 21.941 6.276 1.00 1.57 C ATOM 1896 NZ LYS B 26 -6.257 23.260 5.601 1.00 2.20 N ATOM 0 H LYS B 26 -3.494 21.979 4.066 1.00 1.22 H new ATOM 0 HA LYS B 26 -1.423 21.163 5.851 1.00 1.12 H new ATOM 0 HB2 LYS B 26 -4.345 20.400 5.360 1.00 1.25 H new ATOM 0 HB3 LYS B 26 -3.413 19.677 6.657 1.00 1.25 H new ATOM 0 HG2 LYS B 26 -3.190 21.755 7.821 1.00 1.63 H new ATOM 0 HG3 LYS B 26 -3.631 22.698 6.411 1.00 1.63 H new ATOM 0 HD2 LYS B 26 -5.514 20.846 7.937 1.00 1.84 H new ATOM 0 HD3 LYS B 26 -5.448 22.587 8.127 1.00 1.84 H new ATOM 0 HE2 LYS B 26 -6.182 21.153 5.539 1.00 1.57 H new ATOM 0 HE3 LYS B 26 -7.339 21.807 6.681 1.00 1.57 H new ATOM 0 HZ1 LYS B 26 -6.822 23.238 4.728 1.00 2.20 H new ATOM 0 HZ2 LYS B 26 -6.627 23.997 6.235 1.00 2.20 H new ATOM 0 HZ3 LYS B 26 -5.266 23.471 5.366 1.00 2.20 H new ATOM 1910 N LEU B 27 -1.619 19.204 3.401 1.00 1.10 N ATOM 1911 CA LEU B 27 -0.958 18.087 2.709 1.00 1.12 C ATOM 1912 C LEU B 27 0.571 18.221 2.580 1.00 1.00 C ATOM 1913 O LEU B 27 1.225 17.231 2.248 1.00 1.05 O ATOM 1914 CB LEU B 27 -1.581 17.892 1.308 1.00 1.43 C ATOM 1915 CG LEU B 27 -1.456 19.078 0.318 1.00 2.81 C ATOM 1916 CD1 LEU B 27 -1.481 18.559 -1.128 1.00 3.41 C ATOM 1917 CD2 LEU B 27 -2.600 20.089 0.481 1.00 4.09 C ATOM 0 H LEU B 27 -2.089 19.833 2.750 1.00 1.10 H new ATOM 0 HA LEU B 27 -1.128 17.214 3.339 1.00 1.12 H new ATOM 0 HB2 LEU B 27 -1.120 17.017 0.850 1.00 1.43 H new ATOM 0 HB3 LEU B 27 -2.640 17.665 1.435 1.00 1.43 H new ATOM 0 HG LEU B 27 -0.512 19.576 0.538 1.00 2.81 H new ATOM 0 HD11 LEU B 27 -1.393 19.399 -1.817 1.00 3.41 H new ATOM 0 HD12 LEU B 27 -0.648 17.873 -1.283 1.00 3.41 H new ATOM 0 HD13 LEU B 27 -2.420 18.037 -1.311 1.00 3.41 H new ATOM 0 HD21 LEU B 27 -2.471 20.903 -0.233 1.00 4.09 H new ATOM 0 HD22 LEU B 27 -3.553 19.593 0.297 1.00 4.09 H new ATOM 0 HD23 LEU B 27 -2.589 20.490 1.494 1.00 4.09 H new ATOM 1929 N THR B 28 1.121 19.416 2.814 1.00 0.95 N ATOM 1930 CA THR B 28 2.535 19.773 2.612 1.00 0.86 C ATOM 1931 C THR B 28 3.106 20.483 3.849 1.00 0.85 C ATOM 1932 O THR B 28 2.347 20.892 4.724 1.00 0.99 O ATOM 1933 CB THR B 28 2.658 20.641 1.348 1.00 0.84 C ATOM 1934 OG1 THR B 28 1.517 21.441 1.174 1.00 1.20 O ATOM 1935 CG2 THR B 28 2.762 19.823 0.062 1.00 1.11 C ATOM 0 H THR B 28 0.570 20.199 3.166 1.00 0.95 H new ATOM 0 HA THR B 28 3.124 18.866 2.472 1.00 0.86 H new ATOM 0 HB THR B 28 3.565 21.224 1.506 1.00 0.84 H new ATOM 0 HG1 THR B 28 1.764 22.386 1.256 1.00 1.20 H new ATOM 0 HG21 THR B 28 2.846 20.496 -0.791 1.00 1.11 H new ATOM 0 HG22 THR B 28 3.643 19.183 0.108 1.00 1.11 H new ATOM 0 HG23 THR B 28 1.871 19.205 -0.049 1.00 1.11 H new ATOM 1943 N LEU B 29 4.438 20.643 3.939 1.00 0.74 N ATOM 1944 CA LEU B 29 5.152 21.495 4.929 1.00 0.68 C ATOM 1945 C LEU B 29 6.605 21.795 4.514 1.00 0.71 C ATOM 1946 O LEU B 29 7.118 21.158 3.601 1.00 0.81 O ATOM 1947 CB LEU B 29 5.072 20.943 6.378 1.00 0.72 C ATOM 1948 CG LEU B 29 6.133 19.895 6.787 1.00 0.83 C ATOM 1949 CD1 LEU B 29 5.968 19.579 8.279 1.00 1.10 C ATOM 1950 CD2 LEU B 29 6.031 18.592 5.987 1.00 1.01 C ATOM 0 H LEU B 29 5.079 20.168 3.304 1.00 0.74 H new ATOM 0 HA LEU B 29 4.618 22.445 4.931 1.00 0.68 H new ATOM 0 HB2 LEU B 29 5.144 21.785 7.066 1.00 0.72 H new ATOM 0 HB3 LEU B 29 4.086 20.500 6.518 1.00 0.72 H new ATOM 0 HG LEU B 29 7.112 20.326 6.575 1.00 0.83 H new ATOM 0 HD11 LEU B 29 6.711 18.840 8.579 1.00 1.10 H new ATOM 0 HD12 LEU B 29 6.106 20.490 8.861 1.00 1.10 H new ATOM 0 HD13 LEU B 29 4.969 19.182 8.458 1.00 1.10 H new ATOM 0 HD21 LEU B 29 6.802 17.898 6.321 1.00 1.01 H new ATOM 0 HD22 LEU B 29 5.049 18.145 6.143 1.00 1.01 H new ATOM 0 HD23 LEU B 29 6.169 18.804 4.927 1.00 1.01 H new ATOM 1962 N SER B 30 7.290 22.742 5.164 1.00 0.70 N ATOM 1963 CA SER B 30 8.634 23.167 4.735 1.00 0.71 C ATOM 1964 C SER B 30 9.758 22.218 5.196 1.00 0.83 C ATOM 1965 O SER B 30 9.706 21.620 6.280 1.00 0.95 O ATOM 1966 CB SER B 30 8.929 24.612 5.159 1.00 0.80 C ATOM 1967 OG SER B 30 8.993 24.761 6.565 1.00 1.53 O ATOM 0 H SER B 30 6.940 23.230 5.988 1.00 0.70 H new ATOM 0 HA SER B 30 8.622 23.120 3.646 1.00 0.71 H new ATOM 0 HB2 SER B 30 9.874 24.931 4.720 1.00 0.80 H new ATOM 0 HB3 SER B 30 8.155 25.269 4.762 1.00 0.80 H new ATOM 0 HG SER B 30 9.184 25.696 6.786 1.00 1.53 H new ATOM 1973 N ARG B 31 10.806 22.091 4.379 1.00 0.88 N ATOM 1974 CA ARG B 31 11.848 21.062 4.528 1.00 0.89 C ATOM 1975 C ARG B 31 12.630 21.198 5.844 1.00 0.84 C ATOM 1976 O ARG B 31 12.923 20.205 6.515 1.00 1.05 O ATOM 1977 CB ARG B 31 12.793 21.033 3.300 1.00 1.05 C ATOM 1978 CG ARG B 31 12.121 21.455 1.970 1.00 1.48 C ATOM 1979 CD ARG B 31 12.667 20.751 0.726 1.00 1.15 C ATOM 1980 NE ARG B 31 11.610 20.557 -0.295 1.00 2.82 N ATOM 1981 CZ ARG B 31 11.457 19.477 -1.063 1.00 3.00 C ATOM 1982 NH1 ARG B 31 12.345 18.510 -1.159 1.00 2.28 N ATOM 1983 NH2 ARG B 31 10.356 19.280 -1.747 1.00 4.81 N ATOM 0 H ARG B 31 10.961 22.708 3.582 1.00 0.88 H new ATOM 0 HA ARG B 31 11.335 20.101 4.575 1.00 0.89 H new ATOM 0 HB2 ARG B 31 13.639 21.693 3.492 1.00 1.05 H new ATOM 0 HB3 ARG B 31 13.193 20.025 3.188 1.00 1.05 H new ATOM 0 HG2 ARG B 31 11.051 21.259 2.041 1.00 1.48 H new ATOM 0 HG3 ARG B 31 12.241 22.531 1.844 1.00 1.48 H new ATOM 0 HD2 ARG B 31 13.481 21.339 0.302 1.00 1.15 H new ATOM 0 HD3 ARG B 31 13.085 19.784 1.007 1.00 1.15 H new ATOM 0 HE ARG B 31 10.941 21.316 -0.421 1.00 2.82 H new ATOM 0 HH11 ARG B 31 13.213 18.560 -0.626 1.00 2.28 H new ATOM 0 HH12 ARG B 31 12.165 17.710 -1.766 1.00 2.28 H new ATOM 0 HH21 ARG B 31 9.597 19.959 -1.698 1.00 4.81 H new ATOM 0 HH22 ARG B 31 10.259 18.448 -2.328 1.00 4.81 H new ATOM 1997 N LYS B 32 12.878 22.432 6.280 1.00 0.80 N ATOM 1998 CA LYS B 32 13.531 22.739 7.555 1.00 0.90 C ATOM 1999 C LYS B 32 12.717 22.288 8.791 1.00 1.04 C ATOM 2000 O LYS B 32 13.311 21.836 9.782 1.00 1.27 O ATOM 2001 CB LYS B 32 13.868 24.233 7.561 1.00 1.07 C ATOM 2002 CG LYS B 32 15.171 24.419 8.340 1.00 1.64 C ATOM 2003 CD LYS B 32 15.719 25.836 8.251 1.00 2.31 C ATOM 2004 CE LYS B 32 15.984 26.348 6.822 1.00 3.18 C ATOM 2005 NZ LYS B 32 16.883 25.456 6.052 1.00 4.37 N ATOM 0 H LYS B 32 12.626 23.264 5.747 1.00 0.80 H new ATOM 0 HA LYS B 32 14.450 22.159 7.638 1.00 0.90 H new ATOM 0 HB2 LYS B 32 13.977 24.603 6.542 1.00 1.07 H new ATOM 0 HB3 LYS B 32 13.063 24.804 8.023 1.00 1.07 H new ATOM 0 HG2 LYS B 32 15.002 24.166 9.387 1.00 1.64 H new ATOM 0 HG3 LYS B 32 15.918 23.722 7.960 1.00 1.64 H new ATOM 0 HD2 LYS B 32 15.016 26.512 8.737 1.00 2.31 H new ATOM 0 HD3 LYS B 32 16.650 25.885 8.816 1.00 2.31 H new ATOM 0 HE2 LYS B 32 15.036 26.445 6.294 1.00 3.18 H new ATOM 0 HE3 LYS B 32 16.424 27.344 6.873 1.00 3.18 H new ATOM 0 HZ1 LYS B 32 17.014 25.838 5.094 1.00 4.37 H new ATOM 0 HZ2 LYS B 32 17.805 25.396 6.530 1.00 4.37 H new ATOM 0 HZ3 LYS B 32 16.462 24.507 5.992 1.00 4.37 H new ATOM 2019 N GLU B 33 11.381 22.365 8.726 1.00 1.00 N ATOM 2020 CA GLU B 33 10.466 21.911 9.781 1.00 1.13 C ATOM 2021 C GLU B 33 10.237 20.387 9.736 1.00 1.05 C ATOM 2022 O GLU B 33 10.221 19.754 10.790 1.00 1.11 O ATOM 2023 CB GLU B 33 9.149 22.715 9.725 1.00 1.40 C ATOM 2024 CG GLU B 33 8.160 22.284 10.819 1.00 1.47 C ATOM 2025 CD GLU B 33 7.234 23.422 11.250 1.00 1.73 C ATOM 2026 OE1 GLU B 33 6.151 23.566 10.640 1.00 2.72 O ATOM 2027 OE2 GLU B 33 7.591 24.140 12.206 1.00 2.39 O ATOM 0 H GLU B 33 10.895 22.754 7.918 1.00 1.00 H new ATOM 0 HA GLU B 33 10.932 22.106 10.747 1.00 1.13 H new ATOM 0 HB2 GLU B 33 9.369 23.777 9.834 1.00 1.40 H new ATOM 0 HB3 GLU B 33 8.686 22.584 8.747 1.00 1.40 H new ATOM 0 HG2 GLU B 33 7.560 21.450 10.455 1.00 1.47 H new ATOM 0 HG3 GLU B 33 8.715 21.923 11.685 1.00 1.47 H new ATOM 2034 N LEU B 34 10.182 19.749 8.556 1.00 0.97 N ATOM 2035 CA LEU B 34 10.139 18.274 8.486 1.00 0.99 C ATOM 2036 C LEU B 34 11.367 17.639 9.163 1.00 0.88 C ATOM 2037 O LEU B 34 11.256 16.696 9.948 1.00 0.98 O ATOM 2038 CB LEU B 34 10.004 17.784 7.032 1.00 1.02 C ATOM 2039 CG LEU B 34 10.085 16.239 6.920 1.00 1.20 C ATOM 2040 CD1 LEU B 34 9.047 15.515 7.786 1.00 1.73 C ATOM 2041 CD2 LEU B 34 9.879 15.800 5.474 1.00 1.43 C ATOM 0 H LEU B 34 10.166 20.218 7.651 1.00 0.97 H new ATOM 0 HA LEU B 34 9.253 17.953 9.034 1.00 0.99 H new ATOM 0 HB2 LEU B 34 9.053 18.126 6.623 1.00 1.02 H new ATOM 0 HB3 LEU B 34 10.792 18.232 6.426 1.00 1.02 H new ATOM 0 HG LEU B 34 11.078 15.968 7.278 1.00 1.20 H new ATOM 0 HD11 LEU B 34 9.157 14.438 7.662 1.00 1.73 H new ATOM 0 HD12 LEU B 34 9.200 15.777 8.833 1.00 1.73 H new ATOM 0 HD13 LEU B 34 8.045 15.815 7.480 1.00 1.73 H new ATOM 0 HD21 LEU B 34 9.939 14.713 5.412 1.00 1.43 H new ATOM 0 HD22 LEU B 34 8.899 16.130 5.130 1.00 1.43 H new ATOM 0 HD23 LEU B 34 10.652 16.242 4.846 1.00 1.43 H new ATOM 2053 N LYS B 35 12.544 18.222 8.918 1.00 0.75 N ATOM 2054 CA LYS B 35 13.801 17.844 9.557 1.00 0.72 C ATOM 2055 C LYS B 35 13.688 17.875 11.090 1.00 0.77 C ATOM 2056 O LYS B 35 14.354 17.099 11.774 1.00 0.86 O ATOM 2057 CB LYS B 35 14.872 18.802 9.004 1.00 0.81 C ATOM 2058 CG LYS B 35 16.290 18.583 9.545 1.00 1.19 C ATOM 2059 CD LYS B 35 16.864 19.750 10.373 1.00 1.56 C ATOM 2060 CE LYS B 35 16.232 19.903 11.765 1.00 3.27 C ATOM 2061 NZ LYS B 35 15.226 20.993 11.858 1.00 4.85 N ATOM 0 H LYS B 35 12.648 18.988 8.253 1.00 0.75 H new ATOM 0 HA LYS B 35 14.074 16.814 9.328 1.00 0.72 H new ATOM 0 HB2 LYS B 35 14.896 18.706 7.919 1.00 0.81 H new ATOM 0 HB3 LYS B 35 14.570 19.825 9.227 1.00 0.81 H new ATOM 0 HG2 LYS B 35 16.291 17.685 10.163 1.00 1.19 H new ATOM 0 HG3 LYS B 35 16.957 18.392 8.704 1.00 1.19 H new ATOM 0 HD2 LYS B 35 17.938 19.606 10.488 1.00 1.56 H new ATOM 0 HD3 LYS B 35 16.724 20.678 9.818 1.00 1.56 H new ATOM 0 HE2 LYS B 35 15.758 18.961 12.043 1.00 3.27 H new ATOM 0 HE3 LYS B 35 17.022 20.089 12.493 1.00 3.27 H new ATOM 0 HZ1 LYS B 35 14.581 20.804 12.652 1.00 4.85 H new ATOM 0 HZ2 LYS B 35 15.710 21.900 12.014 1.00 4.85 H new ATOM 0 HZ3 LYS B 35 14.681 21.039 10.973 1.00 4.85 H new ATOM 2075 N GLU B 36 12.862 18.778 11.623 1.00 0.80 N ATOM 2076 CA GLU B 36 12.522 18.833 13.035 1.00 0.86 C ATOM 2077 C GLU B 36 11.566 17.699 13.429 1.00 0.83 C ATOM 2078 O GLU B 36 11.948 16.878 14.257 1.00 0.90 O ATOM 2079 CB GLU B 36 11.919 20.215 13.356 1.00 0.98 C ATOM 2080 CG GLU B 36 12.048 20.510 14.844 1.00 1.29 C ATOM 2081 CD GLU B 36 13.506 20.638 15.283 1.00 2.13 C ATOM 2082 OE1 GLU B 36 14.388 20.868 14.423 1.00 2.97 O ATOM 2083 OE2 GLU B 36 13.746 20.431 16.487 1.00 2.90 O ATOM 0 H GLU B 36 12.405 19.503 11.069 1.00 0.80 H new ATOM 0 HA GLU B 36 13.429 18.694 13.624 1.00 0.86 H new ATOM 0 HB2 GLU B 36 12.430 20.986 12.779 1.00 0.98 H new ATOM 0 HB3 GLU B 36 10.870 20.240 13.062 1.00 0.98 H new ATOM 0 HG2 GLU B 36 11.518 21.434 15.077 1.00 1.29 H new ATOM 0 HG3 GLU B 36 11.567 19.714 15.413 1.00 1.29 H new ATOM 2090 N LEU B 37 10.385 17.618 12.797 1.00 0.90 N ATOM 2091 CA LEU B 37 9.322 16.618 13.000 1.00 0.92 C ATOM 2092 C LEU B 37 9.893 15.210 13.163 1.00 0.81 C ATOM 2093 O LEU B 37 9.580 14.539 14.145 1.00 0.79 O ATOM 2094 CB LEU B 37 8.316 16.775 11.830 1.00 1.04 C ATOM 2095 CG LEU B 37 7.513 15.569 11.285 1.00 0.83 C ATOM 2096 CD1 LEU B 37 6.691 14.771 12.302 1.00 1.22 C ATOM 2097 CD2 LEU B 37 6.536 16.070 10.209 1.00 1.42 C ATOM 0 H LEU B 37 10.128 18.297 12.080 1.00 0.90 H new ATOM 0 HA LEU B 37 8.790 16.787 13.936 1.00 0.92 H new ATOM 0 HB2 LEU B 37 7.589 17.527 12.136 1.00 1.04 H new ATOM 0 HB3 LEU B 37 8.871 17.192 10.989 1.00 1.04 H new ATOM 0 HG LEU B 37 8.277 14.886 10.915 1.00 0.83 H new ATOM 0 HD11 LEU B 37 6.177 13.955 11.794 1.00 1.22 H new ATOM 0 HD12 LEU B 37 7.353 14.363 13.066 1.00 1.22 H new ATOM 0 HD13 LEU B 37 5.957 15.426 12.771 1.00 1.22 H new ATOM 0 HD21 LEU B 37 5.964 15.229 9.817 1.00 1.42 H new ATOM 0 HD22 LEU B 37 5.855 16.799 10.647 1.00 1.42 H new ATOM 0 HD23 LEU B 37 7.096 16.537 9.399 1.00 1.42 H new ATOM 2109 N ILE B 38 10.768 14.780 12.252 1.00 0.77 N ATOM 2110 CA ILE B 38 11.380 13.445 12.302 1.00 0.78 C ATOM 2111 C ILE B 38 12.175 13.237 13.599 1.00 0.85 C ATOM 2112 O ILE B 38 12.041 12.198 14.223 1.00 1.14 O ATOM 2113 CB ILE B 38 12.203 13.189 11.017 1.00 0.81 C ATOM 2114 CG1 ILE B 38 11.242 13.151 9.804 1.00 1.06 C ATOM 2115 CG2 ILE B 38 13.014 11.880 11.116 1.00 1.24 C ATOM 2116 CD1 ILE B 38 11.951 13.073 8.449 1.00 1.19 C ATOM 0 H ILE B 38 11.074 15.344 11.459 1.00 0.77 H new ATOM 0 HA ILE B 38 10.594 12.691 12.327 1.00 0.78 H new ATOM 0 HB ILE B 38 12.921 13.999 10.890 1.00 0.81 H new ATOM 0 HG12 ILE B 38 10.579 12.292 9.906 1.00 1.06 H new ATOM 0 HG13 ILE B 38 10.614 14.042 9.823 1.00 1.06 H new ATOM 0 HG21 ILE B 38 13.580 11.732 10.196 1.00 1.24 H new ATOM 0 HG22 ILE B 38 13.702 11.941 11.959 1.00 1.24 H new ATOM 0 HG23 ILE B 38 12.334 11.041 11.263 1.00 1.24 H new ATOM 0 HD11 ILE B 38 11.209 13.050 7.651 1.00 1.19 H new ATOM 0 HD12 ILE B 38 12.592 13.945 8.323 1.00 1.19 H new ATOM 0 HD13 ILE B 38 12.557 12.168 8.407 1.00 1.19 H new ATOM 2128 N LYS B 39 12.964 14.209 14.060 1.00 0.79 N ATOM 2129 CA LYS B 39 13.684 14.174 15.321 1.00 0.89 C ATOM 2130 C LYS B 39 12.869 14.608 16.560 1.00 0.95 C ATOM 2131 O LYS B 39 13.434 14.747 17.649 1.00 1.17 O ATOM 2132 CB LYS B 39 14.937 15.038 15.086 1.00 1.01 C ATOM 2133 CG LYS B 39 16.165 14.309 15.604 1.00 1.71 C ATOM 2134 CD LYS B 39 16.594 13.110 14.735 1.00 1.51 C ATOM 2135 CE LYS B 39 17.393 12.077 15.547 1.00 2.40 C ATOM 2136 NZ LYS B 39 18.740 12.550 15.936 1.00 2.59 N ATOM 0 H LYS B 39 13.121 15.073 13.540 1.00 0.79 H new ATOM 0 HA LYS B 39 13.933 13.145 15.581 1.00 0.89 H new ATOM 0 HB2 LYS B 39 15.050 15.251 14.023 1.00 1.01 H new ATOM 0 HB3 LYS B 39 14.830 15.997 15.593 1.00 1.01 H new ATOM 0 HG2 LYS B 39 16.994 15.014 15.667 1.00 1.71 H new ATOM 0 HG3 LYS B 39 15.967 13.958 16.617 1.00 1.71 H new ATOM 0 HD2 LYS B 39 15.710 12.634 14.310 1.00 1.51 H new ATOM 0 HD3 LYS B 39 17.199 13.463 13.900 1.00 1.51 H new ATOM 0 HE2 LYS B 39 16.833 11.820 16.446 1.00 2.40 H new ATOM 0 HE3 LYS B 39 17.492 11.163 14.961 1.00 2.40 H new ATOM 0 HZ1 LYS B 39 19.110 11.953 16.703 1.00 2.59 H new ATOM 0 HZ2 LYS B 39 19.377 12.495 15.116 1.00 2.59 H new ATOM 0 HZ3 LYS B 39 18.681 13.536 16.263 1.00 2.59 H new ATOM 2150 N LYS B 40 11.569 14.878 16.418 1.00 0.89 N ATOM 2151 CA LYS B 40 10.611 15.115 17.507 1.00 1.01 C ATOM 2152 C LYS B 40 9.745 13.874 17.764 1.00 1.14 C ATOM 2153 O LYS B 40 9.765 13.315 18.855 1.00 1.38 O ATOM 2154 CB LYS B 40 9.733 16.321 17.122 1.00 0.98 C ATOM 2155 CG LYS B 40 10.472 17.669 17.115 1.00 1.14 C ATOM 2156 CD LYS B 40 10.990 18.025 18.503 1.00 1.66 C ATOM 2157 CE LYS B 40 12.477 17.674 18.681 1.00 2.51 C ATOM 2158 NZ LYS B 40 13.366 18.855 18.567 1.00 2.69 N ATOM 0 H LYS B 40 11.133 14.941 15.498 1.00 0.89 H new ATOM 0 HA LYS B 40 11.152 15.325 18.430 1.00 1.01 H new ATOM 0 HB2 LYS B 40 9.312 16.147 16.132 1.00 0.98 H new ATOM 0 HB3 LYS B 40 8.897 16.383 17.818 1.00 0.98 H new ATOM 0 HG2 LYS B 40 11.305 17.625 16.414 1.00 1.14 H new ATOM 0 HG3 LYS B 40 9.800 18.452 16.763 1.00 1.14 H new ATOM 0 HD2 LYS B 40 10.847 19.091 18.679 1.00 1.66 H new ATOM 0 HD3 LYS B 40 10.402 17.497 19.254 1.00 1.66 H new ATOM 0 HE2 LYS B 40 12.621 17.210 19.657 1.00 2.51 H new ATOM 0 HE3 LYS B 40 12.763 16.936 17.931 1.00 2.51 H new ATOM 0 HZ1 LYS B 40 14.359 18.545 18.576 1.00 2.69 H new ATOM 0 HZ2 LYS B 40 13.168 19.354 17.676 1.00 2.69 H new ATOM 0 HZ3 LYS B 40 13.196 19.496 19.368 1.00 2.69 H new ATOM 2172 N GLU B 41 9.021 13.459 16.729 1.00 1.16 N ATOM 2173 CA GLU B 41 8.118 12.299 16.710 1.00 1.32 C ATOM 2174 C GLU B 41 8.842 10.947 16.525 1.00 1.12 C ATOM 2175 O GLU B 41 8.190 9.898 16.537 1.00 1.26 O ATOM 2176 CB GLU B 41 7.066 12.467 15.597 1.00 1.72 C ATOM 2177 CG GLU B 41 6.323 13.812 15.583 1.00 2.48 C ATOM 2178 CD GLU B 41 5.554 14.139 16.862 1.00 4.53 C ATOM 2179 OE1 GLU B 41 5.076 13.202 17.528 1.00 5.26 O ATOM 2180 OE2 GLU B 41 5.371 15.355 17.116 1.00 5.85 O ATOM 0 H GLU B 41 9.045 13.944 15.832 1.00 1.16 H new ATOM 0 HA GLU B 41 7.645 12.272 17.691 1.00 1.32 H new ATOM 0 HB2 GLU B 41 7.558 12.334 14.634 1.00 1.72 H new ATOM 0 HB3 GLU B 41 6.331 11.667 15.693 1.00 1.72 H new ATOM 0 HG2 GLU B 41 7.045 14.607 15.398 1.00 2.48 H new ATOM 0 HG3 GLU B 41 5.624 13.815 14.746 1.00 2.48 H new ATOM 2187 N LEU B 42 10.174 10.934 16.368 1.00 1.15 N ATOM 2188 CA LEU B 42 11.024 9.753 16.293 1.00 1.09 C ATOM 2189 C LEU B 42 12.419 10.034 16.884 1.00 1.01 C ATOM 2190 O LEU B 42 12.910 11.166 16.890 1.00 1.29 O ATOM 2191 CB LEU B 42 11.034 9.249 14.831 1.00 1.28 C ATOM 2192 CG LEU B 42 11.215 7.729 14.714 1.00 1.26 C ATOM 2193 CD1 LEU B 42 10.278 7.151 13.641 1.00 1.66 C ATOM 2194 CD2 LEU B 42 12.659 7.342 14.363 1.00 2.13 C ATOM 0 H LEU B 42 10.709 11.798 16.286 1.00 1.15 H new ATOM 0 HA LEU B 42 10.627 8.947 16.910 1.00 1.09 H new ATOM 0 HB2 LEU B 42 10.099 9.535 14.349 1.00 1.28 H new ATOM 0 HB3 LEU B 42 11.838 9.746 14.288 1.00 1.28 H new ATOM 0 HG LEU B 42 10.970 7.313 15.691 1.00 1.26 H new ATOM 0 HD11 LEU B 42 10.422 6.073 13.574 1.00 1.66 H new ATOM 0 HD12 LEU B 42 9.243 7.363 13.910 1.00 1.66 H new ATOM 0 HD13 LEU B 42 10.503 7.607 12.677 1.00 1.66 H new ATOM 0 HD21 LEU B 42 12.738 6.257 14.291 1.00 2.13 H new ATOM 0 HD22 LEU B 42 12.934 7.790 13.408 1.00 2.13 H new ATOM 0 HD23 LEU B 42 13.332 7.704 15.140 1.00 2.13 H new ATOM 2206 N CYS B 43 13.063 8.996 17.421 1.00 1.15 N ATOM 2207 CA CYS B 43 14.388 9.056 18.041 1.00 1.33 C ATOM 2208 C CYS B 43 15.314 7.954 17.516 1.00 1.67 C ATOM 2209 O CYS B 43 14.871 6.949 16.964 1.00 2.87 O ATOM 2210 CB CYS B 43 14.243 9.008 19.574 1.00 1.48 C ATOM 2211 SG CYS B 43 13.504 7.435 20.106 1.00 3.08 S ATOM 0 H CYS B 43 12.662 8.058 17.437 1.00 1.15 H new ATOM 0 HA CYS B 43 14.859 10.000 17.768 1.00 1.33 H new ATOM 0 HB2 CYS B 43 15.221 9.131 20.040 1.00 1.48 H new ATOM 0 HB3 CYS B 43 13.622 9.838 19.911 1.00 1.48 H new ATOM 0 HG CYS B 43 13.396 7.422 21.401 1.00 3.08 H new ATOM 2217 N LEU B 44 16.614 8.177 17.684 1.00 1.89 N ATOM 2218 CA LEU B 44 17.664 7.197 17.435 1.00 2.36 C ATOM 2219 C LEU B 44 18.675 7.360 18.574 1.00 3.28 C ATOM 2220 O LEU B 44 18.509 6.727 19.607 1.00 4.86 O ATOM 2221 CB LEU B 44 18.261 7.356 16.016 1.00 2.92 C ATOM 2222 CG LEU B 44 17.342 6.951 14.838 1.00 2.72 C ATOM 2223 CD1 LEU B 44 16.604 8.165 14.246 1.00 3.42 C ATOM 2224 CD2 LEU B 44 18.152 6.301 13.703 1.00 3.60 C ATOM 0 H LEU B 44 16.976 9.074 18.008 1.00 1.89 H new ATOM 0 HA LEU B 44 17.286 6.174 17.438 1.00 2.36 H new ATOM 0 HB2 LEU B 44 18.551 8.398 15.881 1.00 2.92 H new ATOM 0 HB3 LEU B 44 19.173 6.761 15.959 1.00 2.92 H new ATOM 0 HG LEU B 44 16.620 6.243 15.245 1.00 2.72 H new ATOM 0 HD11 LEU B 44 15.970 7.839 13.422 1.00 3.42 H new ATOM 0 HD12 LEU B 44 15.988 8.628 15.017 1.00 3.42 H new ATOM 0 HD13 LEU B 44 17.331 8.889 13.879 1.00 3.42 H new ATOM 0 HD21 LEU B 44 17.482 6.026 12.889 1.00 3.60 H new ATOM 0 HD22 LEU B 44 18.897 7.007 13.337 1.00 3.60 H new ATOM 0 HD23 LEU B 44 18.652 5.408 14.078 1.00 3.60 H new ATOM 2236 N GLY B 45 19.682 8.230 18.430 1.00 2.96 N ATOM 2237 CA GLY B 45 20.628 8.619 19.488 1.00 3.68 C ATOM 2238 C GLY B 45 21.665 7.549 19.828 1.00 3.57 C ATOM 2239 O GLY B 45 22.537 7.794 20.656 1.00 4.46 O ATOM 0 H GLY B 45 19.869 8.700 17.544 1.00 2.96 H new ATOM 0 HA2 GLY B 45 21.147 9.527 19.180 1.00 3.68 H new ATOM 0 HA3 GLY B 45 20.066 8.864 20.390 1.00 3.68 H new ATOM 2242 N GLU B 46 21.548 6.381 19.198 1.00 3.06 N ATOM 2243 CA GLU B 46 22.182 5.110 19.535 1.00 3.50 C ATOM 2244 C GLU B 46 21.953 4.126 18.378 1.00 3.22 C ATOM 2245 O GLU B 46 22.905 3.554 17.845 1.00 3.89 O ATOM 2246 CB GLU B 46 21.671 4.641 20.912 1.00 4.18 C ATOM 2247 CG GLU B 46 20.282 3.985 20.984 1.00 4.34 C ATOM 2248 CD GLU B 46 20.320 2.463 20.820 1.00 6.12 C ATOM 2249 OE1 GLU B 46 20.846 1.802 21.743 1.00 7.54 O ATOM 2250 OE2 GLU B 46 19.829 1.985 19.777 1.00 6.58 O ATOM 0 H GLU B 46 20.958 6.294 18.370 1.00 3.06 H new ATOM 0 HA GLU B 46 23.263 5.198 19.643 1.00 3.50 H new ATOM 0 HB2 GLU B 46 22.396 3.932 21.313 1.00 4.18 H new ATOM 0 HB3 GLU B 46 21.667 5.504 21.578 1.00 4.18 H new ATOM 0 HG2 GLU B 46 19.822 4.229 21.942 1.00 4.34 H new ATOM 0 HG3 GLU B 46 19.646 4.411 20.208 1.00 4.34 H new ATOM 2257 N MET B 47 20.717 4.087 17.854 1.00 2.71 N ATOM 2258 CA MET B 47 20.395 3.578 16.536 1.00 2.60 C ATOM 2259 C MET B 47 21.077 4.397 15.432 1.00 1.93 C ATOM 2260 O MET B 47 21.624 5.480 15.623 1.00 2.45 O ATOM 2261 CB MET B 47 18.872 3.521 16.325 1.00 3.13 C ATOM 2262 CG MET B 47 18.135 2.556 17.259 1.00 3.79 C ATOM 2263 SD MET B 47 16.548 1.947 16.617 1.00 4.10 S ATOM 2264 CE MET B 47 15.837 3.481 15.967 1.00 3.05 C ATOM 0 H MET B 47 19.898 4.422 18.362 1.00 2.71 H new ATOM 0 HA MET B 47 20.783 2.561 16.473 1.00 2.60 H new ATOM 0 HB2 MET B 47 18.462 4.522 16.461 1.00 3.13 H new ATOM 0 HB3 MET B 47 18.672 3.232 15.293 1.00 3.13 H new ATOM 0 HG2 MET B 47 18.782 1.702 17.462 1.00 3.79 H new ATOM 0 HG3 MET B 47 17.959 3.056 18.211 1.00 3.79 H new ATOM 0 HE1 MET B 47 14.784 3.323 15.733 1.00 3.05 H new ATOM 0 HE2 MET B 47 15.928 4.270 16.714 1.00 3.05 H new ATOM 0 HE3 MET B 47 16.370 3.774 15.063 1.00 3.05 H new ATOM 2274 N LYS B 48 20.952 3.848 14.235 1.00 2.24 N ATOM 2275 CA LYS B 48 21.693 4.083 12.985 1.00 2.11 C ATOM 2276 C LYS B 48 21.597 5.492 12.334 1.00 2.35 C ATOM 2277 O LYS B 48 21.361 5.642 11.133 1.00 3.35 O ATOM 2278 CB LYS B 48 21.356 2.896 12.080 1.00 2.81 C ATOM 2279 CG LYS B 48 22.380 1.803 12.436 1.00 3.26 C ATOM 2280 CD LYS B 48 21.990 0.424 11.947 1.00 3.89 C ATOM 2281 CE LYS B 48 20.996 -0.256 12.906 1.00 4.61 C ATOM 2282 NZ LYS B 48 20.578 -1.592 12.418 1.00 5.74 N ATOM 0 H LYS B 48 20.239 3.134 14.088 1.00 2.24 H new ATOM 0 HA LYS B 48 22.760 4.123 13.204 1.00 2.11 H new ATOM 0 HB2 LYS B 48 20.337 2.549 12.251 1.00 2.81 H new ATOM 0 HB3 LYS B 48 21.427 3.172 11.028 1.00 2.81 H new ATOM 0 HG2 LYS B 48 23.347 2.070 12.010 1.00 3.26 H new ATOM 0 HG3 LYS B 48 22.506 1.773 13.518 1.00 3.26 H new ATOM 0 HD2 LYS B 48 21.545 0.501 10.955 1.00 3.89 H new ATOM 0 HD3 LYS B 48 22.883 -0.194 11.849 1.00 3.89 H new ATOM 0 HE2 LYS B 48 21.453 -0.356 13.890 1.00 4.61 H new ATOM 0 HE3 LYS B 48 20.117 0.377 13.026 1.00 4.61 H new ATOM 0 HZ1 LYS B 48 20.408 -2.220 13.229 1.00 5.74 H new ATOM 0 HZ2 LYS B 48 19.704 -1.501 11.862 1.00 5.74 H new ATOM 0 HZ3 LYS B 48 21.328 -1.994 11.820 1.00 5.74 H new ATOM 2296 N GLU B 49 21.827 6.537 13.127 1.00 2.54 N ATOM 2297 CA GLU B 49 22.247 7.848 12.632 1.00 2.89 C ATOM 2298 C GLU B 49 23.609 7.702 11.947 1.00 2.29 C ATOM 2299 O GLU B 49 24.527 7.087 12.482 1.00 3.10 O ATOM 2300 CB GLU B 49 22.264 8.913 13.744 1.00 4.21 C ATOM 2301 CG GLU B 49 20.879 9.027 14.388 1.00 5.63 C ATOM 2302 CD GLU B 49 20.635 10.322 15.156 1.00 6.89 C ATOM 2303 OE1 GLU B 49 20.728 11.413 14.547 1.00 7.21 O ATOM 2304 OE2 GLU B 49 20.150 10.251 16.312 1.00 8.09 O ATOM 0 H GLU B 49 21.726 6.498 14.141 1.00 2.54 H new ATOM 0 HA GLU B 49 21.519 8.204 11.904 1.00 2.89 H new ATOM 0 HB2 GLU B 49 23.004 8.649 14.500 1.00 4.21 H new ATOM 0 HB3 GLU B 49 22.561 9.877 13.330 1.00 4.21 H new ATOM 0 HG2 GLU B 49 20.123 8.936 13.608 1.00 5.63 H new ATOM 0 HG3 GLU B 49 20.740 8.186 15.068 1.00 5.63 H new ATOM 2311 N SER B 50 23.701 8.214 10.722 1.00 2.34 N ATOM 2312 CA SER B 50 24.718 8.023 9.692 1.00 2.19 C ATOM 2313 C SER B 50 24.094 8.518 8.386 1.00 1.87 C ATOM 2314 O SER B 50 23.757 9.688 8.349 1.00 2.80 O ATOM 2315 CB SER B 50 25.224 6.579 9.610 1.00 3.20 C ATOM 2316 OG SER B 50 26.165 6.290 10.619 1.00 3.69 O ATOM 0 H SER B 50 22.976 8.849 10.389 1.00 2.34 H new ATOM 0 HA SER B 50 25.619 8.591 9.927 1.00 2.19 H new ATOM 0 HB2 SER B 50 24.380 5.894 9.695 1.00 3.20 H new ATOM 0 HB3 SER B 50 25.676 6.409 8.633 1.00 3.20 H new ATOM 0 HG SER B 50 25.753 6.422 11.498 1.00 3.69 H new ATOM 2322 N SER B 51 23.832 7.699 7.361 1.00 1.74 N ATOM 2323 CA SER B 51 23.341 8.154 6.043 1.00 1.61 C ATOM 2324 C SER B 51 21.972 8.875 6.037 1.00 1.55 C ATOM 2325 O SER B 51 21.563 9.409 5.008 1.00 1.93 O ATOM 2326 CB SER B 51 23.297 6.956 5.082 1.00 2.14 C ATOM 2327 OG SER B 51 24.464 6.152 5.203 1.00 2.14 O ATOM 0 H SER B 51 23.955 6.688 7.418 1.00 1.74 H new ATOM 0 HA SER B 51 24.053 8.915 5.722 1.00 1.61 H new ATOM 0 HB2 SER B 51 22.414 6.352 5.291 1.00 2.14 H new ATOM 0 HB3 SER B 51 23.204 7.313 4.056 1.00 2.14 H new ATOM 0 HG SER B 51 24.407 5.397 4.581 1.00 2.14 H new ATOM 2333 N ILE B 52 21.285 8.939 7.185 1.00 1.43 N ATOM 2334 CA ILE B 52 20.197 9.897 7.457 1.00 1.37 C ATOM 2335 C ILE B 52 20.653 11.351 7.279 1.00 1.14 C ATOM 2336 O ILE B 52 19.834 12.166 6.861 1.00 1.21 O ATOM 2337 CB ILE B 52 19.481 9.615 8.822 1.00 1.57 C ATOM 2338 CG1 ILE B 52 19.300 10.809 9.800 1.00 2.36 C ATOM 2339 CG2 ILE B 52 20.033 8.403 9.599 1.00 1.90 C ATOM 2340 CD1 ILE B 52 20.517 11.191 10.659 1.00 1.76 C ATOM 0 H ILE B 52 21.471 8.314 7.969 1.00 1.43 H new ATOM 0 HA ILE B 52 19.429 9.740 6.699 1.00 1.37 H new ATOM 0 HB ILE B 52 18.484 9.383 8.448 1.00 1.57 H new ATOM 0 HG12 ILE B 52 19.006 11.683 9.219 1.00 2.36 H new ATOM 0 HG13 ILE B 52 18.471 10.578 10.469 1.00 2.36 H new ATOM 0 HG21 ILE B 52 19.478 8.284 10.530 1.00 1.90 H new ATOM 0 HG22 ILE B 52 19.924 7.503 8.994 1.00 1.90 H new ATOM 0 HG23 ILE B 52 21.087 8.564 9.823 1.00 1.90 H new ATOM 0 HD11 ILE B 52 20.261 12.037 11.297 1.00 1.76 H new ATOM 0 HD12 ILE B 52 20.805 10.342 11.280 1.00 1.76 H new ATOM 0 HD13 ILE B 52 21.349 11.465 10.010 1.00 1.76 H new ATOM 2352 N ASP B 53 21.936 11.645 7.529 1.00 1.03 N ATOM 2353 CA ASP B 53 22.603 12.917 7.229 1.00 1.11 C ATOM 2354 C ASP B 53 22.376 13.348 5.779 1.00 1.10 C ATOM 2355 O ASP B 53 21.921 14.464 5.536 1.00 1.18 O ATOM 2356 CB ASP B 53 24.108 12.748 7.518 1.00 1.77 C ATOM 2357 CG ASP B 53 24.991 13.779 6.807 1.00 3.02 C ATOM 2358 OD1 ASP B 53 24.834 14.995 7.048 1.00 3.13 O ATOM 2359 OD2 ASP B 53 25.784 13.356 5.932 1.00 4.52 O ATOM 0 H ASP B 53 22.565 10.971 7.966 1.00 1.03 H new ATOM 0 HA ASP B 53 22.181 13.702 7.857 1.00 1.11 H new ATOM 0 HB2 ASP B 53 24.273 12.821 8.593 1.00 1.77 H new ATOM 0 HB3 ASP B 53 24.417 11.748 7.215 1.00 1.77 H new ATOM 2364 N ASP B 54 22.676 12.483 4.805 1.00 1.14 N ATOM 2365 CA ASP B 54 22.562 12.870 3.398 1.00 1.21 C ATOM 2366 C ASP B 54 21.115 12.976 2.942 1.00 1.16 C ATOM 2367 O ASP B 54 20.809 13.885 2.173 1.00 1.30 O ATOM 2368 CB ASP B 54 23.400 11.994 2.459 1.00 1.36 C ATOM 2369 CG ASP B 54 23.664 12.754 1.152 1.00 1.56 C ATOM 2370 OD1 ASP B 54 24.354 13.798 1.255 1.00 2.24 O ATOM 2371 OD2 ASP B 54 23.172 12.321 0.089 1.00 2.25 O ATOM 0 H ASP B 54 22.994 11.527 4.962 1.00 1.14 H new ATOM 0 HA ASP B 54 22.989 13.871 3.334 1.00 1.21 H new ATOM 0 HB2 ASP B 54 24.344 11.730 2.936 1.00 1.36 H new ATOM 0 HB3 ASP B 54 22.876 11.061 2.251 1.00 1.36 H new ATOM 2376 N LEU B 55 20.198 12.162 3.471 1.00 1.01 N ATOM 2377 CA LEU B 55 18.775 12.382 3.211 1.00 0.97 C ATOM 2378 C LEU B 55 18.347 13.759 3.751 1.00 0.94 C ATOM 2379 O LEU B 55 17.825 14.568 2.981 1.00 0.97 O ATOM 2380 CB LEU B 55 17.922 11.221 3.750 1.00 0.93 C ATOM 2381 CG LEU B 55 18.288 9.817 3.229 1.00 1.08 C ATOM 2382 CD1 LEU B 55 17.159 8.855 3.628 1.00 1.28 C ATOM 2383 CD2 LEU B 55 18.476 9.758 1.703 1.00 1.06 C ATOM 0 H LEU B 55 20.409 11.363 4.068 1.00 1.01 H new ATOM 0 HA LEU B 55 18.604 12.395 2.135 1.00 0.97 H new ATOM 0 HB2 LEU B 55 17.997 11.215 4.837 1.00 0.93 H new ATOM 0 HB3 LEU B 55 16.879 11.418 3.504 1.00 0.93 H new ATOM 0 HG LEU B 55 19.245 9.540 3.672 1.00 1.08 H new ATOM 0 HD11 LEU B 55 17.393 7.852 3.271 1.00 1.28 H new ATOM 0 HD12 LEU B 55 17.060 8.840 4.713 1.00 1.28 H new ATOM 0 HD13 LEU B 55 16.222 9.189 3.183 1.00 1.28 H new ATOM 0 HD21 LEU B 55 18.732 8.741 1.407 1.00 1.06 H new ATOM 0 HD22 LEU B 55 17.551 10.057 1.211 1.00 1.06 H new ATOM 0 HD23 LEU B 55 19.279 10.434 1.409 1.00 1.06 H new ATOM 2395 N MET B 56 18.622 14.061 5.028 1.00 0.97 N ATOM 2396 CA MET B 56 18.263 15.335 5.681 1.00 1.07 C ATOM 2397 C MET B 56 18.855 16.545 4.959 1.00 1.19 C ATOM 2398 O MET B 56 18.113 17.440 4.546 1.00 1.53 O ATOM 2399 CB MET B 56 18.722 15.330 7.151 1.00 1.11 C ATOM 2400 CG MET B 56 17.861 14.440 8.043 1.00 1.16 C ATOM 2401 SD MET B 56 16.183 15.070 8.297 1.00 1.75 S ATOM 2402 CE MET B 56 16.019 14.583 10.018 1.00 1.53 C ATOM 0 H MET B 56 19.109 13.417 5.651 1.00 0.97 H new ATOM 0 HA MET B 56 17.177 15.422 5.635 1.00 1.07 H new ATOM 0 HB2 MET B 56 19.757 14.992 7.201 1.00 1.11 H new ATOM 0 HB3 MET B 56 18.701 16.350 7.536 1.00 1.11 H new ATOM 0 HG2 MET B 56 17.803 13.445 7.601 1.00 1.16 H new ATOM 0 HG3 MET B 56 18.349 14.331 9.011 1.00 1.16 H new ATOM 0 HE1 MET B 56 15.038 14.880 10.388 1.00 1.53 H new ATOM 0 HE2 MET B 56 16.127 13.502 10.102 1.00 1.53 H new ATOM 0 HE3 MET B 56 16.793 15.072 10.610 1.00 1.53 H new ATOM 2412 N LYS B 57 20.175 16.575 4.760 1.00 1.01 N ATOM 2413 CA LYS B 57 20.828 17.670 4.037 1.00 1.09 C ATOM 2414 C LYS B 57 20.600 17.633 2.511 1.00 1.00 C ATOM 2415 O LYS B 57 20.795 18.643 1.844 1.00 1.14 O ATOM 2416 CB LYS B 57 22.241 17.949 4.609 1.00 1.44 C ATOM 2417 CG LYS B 57 23.404 18.041 3.614 1.00 1.35 C ATOM 2418 CD LYS B 57 23.763 16.652 3.098 1.00 3.10 C ATOM 2419 CE LYS B 57 24.560 15.892 4.172 1.00 4.15 C ATOM 2420 NZ LYS B 57 25.352 14.771 3.621 1.00 5.97 N ATOM 0 H LYS B 57 20.814 15.852 5.090 1.00 1.01 H new ATOM 0 HA LYS B 57 20.320 18.613 4.239 1.00 1.09 H new ATOM 0 HB2 LYS B 57 22.200 18.886 5.165 1.00 1.44 H new ATOM 0 HB3 LYS B 57 22.474 17.162 5.327 1.00 1.44 H new ATOM 0 HG2 LYS B 57 23.129 18.687 2.780 1.00 1.35 H new ATOM 0 HG3 LYS B 57 24.270 18.494 4.096 1.00 1.35 H new ATOM 0 HD2 LYS B 57 22.857 16.101 2.846 1.00 3.10 H new ATOM 0 HD3 LYS B 57 24.351 16.733 2.184 1.00 3.10 H new ATOM 0 HE2 LYS B 57 25.229 16.587 4.679 1.00 4.15 H new ATOM 0 HE3 LYS B 57 23.871 15.507 4.923 1.00 4.15 H new ATOM 0 HZ1 LYS B 57 25.385 13.996 4.314 1.00 5.97 H new ATOM 0 HZ2 LYS B 57 24.910 14.432 2.743 1.00 5.97 H new ATOM 0 HZ3 LYS B 57 26.319 15.096 3.418 1.00 5.97 H new ATOM 2434 N SER B 58 20.059 16.548 1.942 1.00 0.94 N ATOM 2435 CA SER B 58 19.458 16.586 0.601 1.00 1.02 C ATOM 2436 C SER B 58 18.080 17.268 0.569 1.00 1.12 C ATOM 2437 O SER B 58 17.778 17.910 -0.436 1.00 1.29 O ATOM 2438 CB SER B 58 19.412 15.195 -0.051 1.00 1.11 C ATOM 2439 OG SER B 58 18.989 15.274 -1.408 1.00 2.00 O ATOM 0 H SER B 58 20.025 15.632 2.389 1.00 0.94 H new ATOM 0 HA SER B 58 20.121 17.211 0.002 1.00 1.02 H new ATOM 0 HB2 SER B 58 20.399 14.735 -0.002 1.00 1.11 H new ATOM 0 HB3 SER B 58 18.732 14.552 0.507 1.00 1.11 H new ATOM 0 HG SER B 58 18.971 14.375 -1.798 1.00 2.00 H new ATOM 2445 N LEU B 59 17.266 17.216 1.635 1.00 1.22 N ATOM 2446 CA LEU B 59 16.029 18.011 1.704 1.00 1.51 C ATOM 2447 C LEU B 59 16.311 19.500 1.928 1.00 1.57 C ATOM 2448 O LEU B 59 15.806 20.356 1.202 1.00 1.83 O ATOM 2449 CB LEU B 59 15.118 17.503 2.836 1.00 1.68 C ATOM 2450 CG LEU B 59 14.545 16.084 2.703 1.00 1.71 C ATOM 2451 CD1 LEU B 59 13.639 15.841 3.921 1.00 1.85 C ATOM 2452 CD2 LEU B 59 13.793 15.876 1.378 1.00 1.80 C ATOM 0 H LEU B 59 17.440 16.636 2.456 1.00 1.22 H new ATOM 0 HA LEU B 59 15.530 17.894 0.742 1.00 1.51 H new ATOM 0 HB2 LEU B 59 15.681 17.552 3.768 1.00 1.68 H new ATOM 0 HB3 LEU B 59 14.282 18.196 2.931 1.00 1.68 H new ATOM 0 HG LEU B 59 15.358 15.358 2.683 1.00 1.71 H new ATOM 0 HD11 LEU B 59 13.212 14.840 3.863 1.00 1.85 H new ATOM 0 HD12 LEU B 59 14.226 15.932 4.835 1.00 1.85 H new ATOM 0 HD13 LEU B 59 12.836 16.578 3.930 1.00 1.85 H new ATOM 0 HD21 LEU B 59 13.408 14.857 1.334 1.00 1.80 H new ATOM 0 HD22 LEU B 59 12.963 16.580 1.316 1.00 1.80 H new ATOM 0 HD23 LEU B 59 14.474 16.043 0.543 1.00 1.80 H new ATOM 2464 N ASP B 60 17.092 19.813 2.965 1.00 1.45 N ATOM 2465 CA ASP B 60 17.392 21.180 3.409 1.00 1.68 C ATOM 2466 C ASP B 60 18.325 21.944 2.454 1.00 1.41 C ATOM 2467 O ASP B 60 18.349 23.170 2.470 1.00 1.77 O ATOM 2468 CB ASP B 60 17.907 21.148 4.859 1.00 2.04 C ATOM 2469 CG ASP B 60 17.521 22.414 5.634 1.00 2.68 C ATOM 2470 OD1 ASP B 60 16.313 22.744 5.654 1.00 4.30 O ATOM 2471 OD2 ASP B 60 18.398 23.089 6.213 1.00 2.31 O ATOM 0 H ASP B 60 17.548 19.102 3.537 1.00 1.45 H new ATOM 0 HA ASP B 60 16.465 21.753 3.385 1.00 1.68 H new ATOM 0 HB2 ASP B 60 17.502 20.274 5.368 1.00 2.04 H new ATOM 0 HB3 ASP B 60 18.992 21.041 4.856 1.00 2.04 H new ATOM 2476 N LYS B 61 18.974 21.252 1.506 1.00 1.08 N ATOM 2477 CA LYS B 61 19.488 21.827 0.251 1.00 1.18 C ATOM 2478 C LYS B 61 18.532 22.833 -0.413 1.00 1.28 C ATOM 2479 O LYS B 61 18.963 23.814 -1.009 1.00 1.51 O ATOM 2480 CB LYS B 61 19.706 20.656 -0.681 1.00 1.21 C ATOM 2481 CG LYS B 61 20.478 20.973 -1.972 1.00 1.86 C ATOM 2482 CD LYS B 61 21.041 19.665 -2.544 1.00 2.51 C ATOM 2483 CE LYS B 61 19.906 18.644 -2.637 1.00 3.77 C ATOM 2484 NZ LYS B 61 20.347 17.279 -3.011 1.00 4.60 N ATOM 0 H LYS B 61 19.161 20.253 1.591 1.00 1.08 H new ATOM 0 HA LYS B 61 20.397 22.389 0.466 1.00 1.18 H new ATOM 0 HB2 LYS B 61 20.243 19.878 -0.139 1.00 1.21 H new ATOM 0 HB3 LYS B 61 18.734 20.243 -0.951 1.00 1.21 H new ATOM 0 HG2 LYS B 61 19.820 21.450 -2.698 1.00 1.86 H new ATOM 0 HG3 LYS B 61 21.287 21.674 -1.766 1.00 1.86 H new ATOM 0 HD2 LYS B 61 21.475 19.839 -3.529 1.00 2.51 H new ATOM 0 HD3 LYS B 61 21.839 19.286 -1.906 1.00 2.51 H new ATOM 0 HE2 LYS B 61 19.394 18.598 -1.676 1.00 3.77 H new ATOM 0 HE3 LYS B 61 19.178 18.992 -3.370 1.00 3.77 H new ATOM 0 HZ1 LYS B 61 19.854 16.580 -2.419 1.00 4.60 H new ATOM 0 HZ2 LYS B 61 20.124 17.104 -4.012 1.00 4.60 H new ATOM 0 HZ3 LYS B 61 21.373 17.194 -2.865 1.00 4.60 H new ATOM 2498 N ASN B 62 17.236 22.538 -0.317 1.00 1.33 N ATOM 2499 CA ASN B 62 16.117 23.284 -0.891 1.00 1.70 C ATOM 2500 C ASN B 62 15.280 24.016 0.178 1.00 1.59 C ATOM 2501 O ASN B 62 14.634 25.020 -0.105 1.00 2.35 O ATOM 2502 CB ASN B 62 15.294 22.246 -1.656 1.00 2.08 C ATOM 2503 CG ASN B 62 15.964 21.920 -2.977 1.00 2.20 C ATOM 2504 OD1 ASN B 62 16.800 21.033 -3.084 1.00 2.37 O ATOM 2505 ND2 ASN B 62 15.638 22.679 -3.999 1.00 2.63 N ATOM 0 H ASN B 62 16.919 21.717 0.198 1.00 1.33 H new ATOM 0 HA ASN B 62 16.469 24.082 -1.545 1.00 1.70 H new ATOM 0 HB2 ASN B 62 15.191 21.340 -1.058 1.00 2.08 H new ATOM 0 HB3 ASN B 62 14.288 22.627 -1.834 1.00 2.08 H new ATOM 0 HD21 ASN B 62 16.085 22.535 -4.905 1.00 2.63 H new ATOM 0 HD22 ASN B 62 14.938 23.413 -3.887 1.00 2.63 H new ATOM 2512 N SER B 63 15.313 23.512 1.411 1.00 1.15 N ATOM 2513 CA SER B 63 15.078 24.226 2.696 1.00 0.94 C ATOM 2514 C SER B 63 13.619 24.591 2.990 1.00 0.95 C ATOM 2515 O SER B 63 13.014 24.041 3.908 1.00 1.19 O ATOM 2516 CB SER B 63 15.895 25.524 2.788 1.00 1.67 C ATOM 2517 OG SER B 63 17.219 25.366 3.265 1.00 1.73 O ATOM 0 H SER B 63 15.518 22.525 1.565 1.00 1.15 H new ATOM 0 HA SER B 63 15.397 23.494 3.438 1.00 0.94 H new ATOM 0 HB2 SER B 63 15.933 25.982 1.800 1.00 1.67 H new ATOM 0 HB3 SER B 63 15.370 26.220 3.442 1.00 1.67 H new ATOM 0 HG SER B 63 17.664 24.650 2.765 1.00 1.73 H new ATOM 2523 N ASP B 64 13.059 25.536 2.240 1.00 1.02 N ATOM 2524 CA ASP B 64 11.929 26.361 2.689 1.00 1.21 C ATOM 2525 C ASP B 64 10.779 26.283 1.686 1.00 1.23 C ATOM 2526 O ASP B 64 9.741 26.910 1.856 1.00 1.88 O ATOM 2527 CB ASP B 64 12.418 27.804 2.930 1.00 1.56 C ATOM 2528 CG ASP B 64 13.072 27.997 4.309 1.00 2.45 C ATOM 2529 OD1 ASP B 64 13.553 27.003 4.905 1.00 3.32 O ATOM 2530 OD2 ASP B 64 13.060 29.152 4.789 1.00 3.32 O ATOM 0 H ASP B 64 13.375 25.757 1.296 1.00 1.02 H new ATOM 0 HA ASP B 64 11.538 25.982 3.633 1.00 1.21 H new ATOM 0 HB2 ASP B 64 13.135 28.073 2.154 1.00 1.56 H new ATOM 0 HB3 ASP B 64 11.574 28.488 2.836 1.00 1.56 H new ATOM 2535 N GLN B 65 10.940 25.438 0.672 1.00 0.95 N ATOM 2536 CA GLN B 65 9.846 25.003 -0.184 1.00 1.02 C ATOM 2537 C GLN B 65 9.052 23.899 0.511 1.00 0.86 C ATOM 2538 O GLN B 65 9.562 23.232 1.412 1.00 0.82 O ATOM 2539 CB GLN B 65 10.356 24.458 -1.533 1.00 1.31 C ATOM 2540 CG GLN B 65 11.877 24.325 -1.717 1.00 1.53 C ATOM 2541 CD GLN B 65 12.256 23.661 -3.036 1.00 2.24 C ATOM 2542 OE1 GLN B 65 13.099 24.130 -3.779 1.00 2.68 O ATOM 2543 NE2 GLN B 65 11.706 22.513 -3.362 1.00 3.33 N ATOM 0 H GLN B 65 11.842 25.034 0.421 1.00 0.95 H new ATOM 0 HA GLN B 65 9.217 25.873 -0.372 1.00 1.02 H new ATOM 0 HB2 GLN B 65 9.911 23.475 -1.688 1.00 1.31 H new ATOM 0 HB3 GLN B 65 9.977 25.107 -2.323 1.00 1.31 H new ATOM 0 HG2 GLN B 65 12.332 25.314 -1.669 1.00 1.53 H new ATOM 0 HG3 GLN B 65 12.289 23.745 -0.892 1.00 1.53 H new ATOM 0 HE21 GLN B 65 10.997 22.097 -2.758 1.00 3.33 H new ATOM 0 HE22 GLN B 65 11.988 22.038 -4.219 1.00 3.33 H new ATOM 2552 N GLU B 66 7.851 23.626 0.011 1.00 0.92 N ATOM 2553 CA GLU B 66 7.053 22.508 0.490 1.00 0.86 C ATOM 2554 C GLU B 66 7.674 21.137 0.161 1.00 0.84 C ATOM 2555 O GLU B 66 8.346 20.951 -0.858 1.00 1.00 O ATOM 2556 CB GLU B 66 5.620 22.623 -0.051 1.00 1.05 C ATOM 2557 CG GLU B 66 4.804 23.697 0.694 1.00 1.45 C ATOM 2558 CD GLU B 66 3.434 23.901 0.043 1.00 1.97 C ATOM 2559 OE1 GLU B 66 3.430 24.117 -1.186 1.00 2.39 O ATOM 2560 OE2 GLU B 66 2.406 23.846 0.767 1.00 3.20 O ATOM 0 H GLU B 66 7.409 24.169 -0.731 1.00 0.92 H new ATOM 0 HA GLU B 66 7.030 22.565 1.578 1.00 0.86 H new ATOM 0 HB2 GLU B 66 5.652 22.865 -1.113 1.00 1.05 H new ATOM 0 HB3 GLU B 66 5.120 21.659 0.041 1.00 1.05 H new ATOM 0 HG2 GLU B 66 4.675 23.402 1.735 1.00 1.45 H new ATOM 0 HG3 GLU B 66 5.353 24.639 0.695 1.00 1.45 H new ATOM 2567 N ILE B 67 7.431 20.183 1.061 1.00 0.85 N ATOM 2568 CA ILE B 67 7.508 18.722 0.925 1.00 0.97 C ATOM 2569 C ILE B 67 6.087 18.180 1.059 1.00 0.89 C ATOM 2570 O ILE B 67 5.367 18.634 1.944 1.00 0.91 O ATOM 2571 CB ILE B 67 8.403 18.139 2.047 1.00 1.16 C ATOM 2572 CG1 ILE B 67 9.859 18.307 1.591 1.00 1.27 C ATOM 2573 CG2 ILE B 67 8.082 16.675 2.405 1.00 2.23 C ATOM 2574 CD1 ILE B 67 10.908 17.899 2.622 1.00 1.43 C ATOM 0 H ILE B 67 7.144 20.440 2.006 1.00 0.85 H new ATOM 0 HA ILE B 67 7.939 18.442 -0.036 1.00 0.97 H new ATOM 0 HB ILE B 67 8.213 18.683 2.972 1.00 1.16 H new ATOM 0 HG12 ILE B 67 10.011 17.718 0.687 1.00 1.27 H new ATOM 0 HG13 ILE B 67 10.022 19.351 1.322 1.00 1.27 H new ATOM 0 HG21 ILE B 67 8.751 16.339 3.198 1.00 2.23 H new ATOM 0 HG22 ILE B 67 7.049 16.602 2.746 1.00 2.23 H new ATOM 0 HG23 ILE B 67 8.219 16.047 1.525 1.00 2.23 H new ATOM 0 HD11 ILE B 67 11.904 18.054 2.208 1.00 1.43 H new ATOM 0 HD12 ILE B 67 10.790 18.505 3.520 1.00 1.43 H new ATOM 0 HD13 ILE B 67 10.779 16.847 2.875 1.00 1.43 H new ATOM 2586 N ASP B 68 5.712 17.215 0.225 1.00 0.86 N ATOM 2587 CA ASP B 68 4.408 16.558 0.261 1.00 0.83 C ATOM 2588 C ASP B 68 4.452 15.203 0.992 1.00 0.81 C ATOM 2589 O ASP B 68 5.514 14.688 1.353 1.00 1.08 O ATOM 2590 CB ASP B 68 3.889 16.407 -1.181 1.00 0.96 C ATOM 2591 CG ASP B 68 4.284 15.067 -1.813 1.00 1.24 C ATOM 2592 OD1 ASP B 68 5.497 14.783 -1.942 1.00 2.37 O ATOM 2593 OD2 ASP B 68 3.360 14.262 -2.068 1.00 1.64 O ATOM 0 H ASP B 68 6.320 16.859 -0.512 1.00 0.86 H new ATOM 0 HA ASP B 68 3.720 17.180 0.834 1.00 0.83 H new ATOM 0 HB2 ASP B 68 2.803 16.500 -1.184 1.00 0.96 H new ATOM 0 HB3 ASP B 68 4.280 17.221 -1.791 1.00 0.96 H new ATOM 2598 N PHE B 69 3.280 14.584 1.136 1.00 0.72 N ATOM 2599 CA PHE B 69 3.125 13.286 1.787 1.00 0.73 C ATOM 2600 C PHE B 69 3.918 12.152 1.096 1.00 0.72 C ATOM 2601 O PHE B 69 4.349 11.220 1.771 1.00 0.69 O ATOM 2602 CB PHE B 69 1.617 12.993 1.916 1.00 0.81 C ATOM 2603 CG PHE B 69 1.263 11.953 2.963 1.00 1.49 C ATOM 2604 CD1 PHE B 69 1.699 12.108 4.294 1.00 2.62 C ATOM 2605 CD2 PHE B 69 0.468 10.841 2.624 1.00 2.84 C ATOM 2606 CE1 PHE B 69 1.401 11.130 5.258 1.00 3.69 C ATOM 2607 CE2 PHE B 69 0.180 9.857 3.583 1.00 3.83 C ATOM 2608 CZ PHE B 69 0.661 9.989 4.897 1.00 3.96 C ATOM 0 H PHE B 69 2.401 14.976 0.799 1.00 0.72 H new ATOM 0 HA PHE B 69 3.567 13.328 2.782 1.00 0.73 H new ATOM 0 HB2 PHE B 69 1.099 13.922 2.156 1.00 0.81 H new ATOM 0 HB3 PHE B 69 1.241 12.659 0.949 1.00 0.81 H new ATOM 0 HD1 PHE B 69 2.265 12.984 4.575 1.00 2.62 H new ATOM 0 HD2 PHE B 69 0.078 10.745 1.621 1.00 2.84 H new ATOM 0 HE1 PHE B 69 1.740 11.254 6.276 1.00 3.69 H new ATOM 0 HE2 PHE B 69 -0.413 8.996 3.310 1.00 3.83 H new ATOM 0 HZ PHE B 69 0.463 9.218 5.627 1.00 3.96 H new ATOM 2618 N LYS B 70 4.206 12.236 -0.213 1.00 0.74 N ATOM 2619 CA LYS B 70 5.052 11.285 -0.947 1.00 0.68 C ATOM 2620 C LYS B 70 6.518 11.446 -0.583 1.00 0.62 C ATOM 2621 O LYS B 70 7.122 10.464 -0.140 1.00 0.62 O ATOM 2622 CB LYS B 70 4.824 11.474 -2.447 1.00 0.78 C ATOM 2623 CG LYS B 70 5.547 10.480 -3.366 1.00 1.38 C ATOM 2624 CD LYS B 70 7.028 10.836 -3.569 1.00 3.14 C ATOM 2625 CE LYS B 70 7.522 10.178 -4.845 1.00 4.11 C ATOM 2626 NZ LYS B 70 8.931 10.549 -5.137 1.00 5.69 N ATOM 0 H LYS B 70 3.847 12.986 -0.803 1.00 0.74 H new ATOM 0 HA LYS B 70 4.774 10.269 -0.667 1.00 0.68 H new ATOM 0 HB2 LYS B 70 3.754 11.408 -2.643 1.00 0.78 H new ATOM 0 HB3 LYS B 70 5.136 12.483 -2.718 1.00 0.78 H new ATOM 0 HG2 LYS B 70 5.472 9.478 -2.943 1.00 1.38 H new ATOM 0 HG3 LYS B 70 5.047 10.455 -4.334 1.00 1.38 H new ATOM 0 HD2 LYS B 70 7.151 11.917 -3.631 1.00 3.14 H new ATOM 0 HD3 LYS B 70 7.617 10.496 -2.717 1.00 3.14 H new ATOM 0 HE2 LYS B 70 7.441 9.095 -4.752 1.00 4.11 H new ATOM 0 HE3 LYS B 70 6.886 10.475 -5.679 1.00 4.11 H new ATOM 0 HZ1 LYS B 70 9.238 10.083 -6.015 1.00 5.69 H new ATOM 0 HZ2 LYS B 70 9.002 11.580 -5.249 1.00 5.69 H new ATOM 0 HZ3 LYS B 70 9.540 10.243 -4.352 1.00 5.69 H new ATOM 2640 N GLU B 71 7.060 12.656 -0.782 1.00 0.67 N ATOM 2641 CA GLU B 71 8.425 13.030 -0.404 1.00 0.69 C ATOM 2642 C GLU B 71 8.684 12.632 1.064 1.00 0.63 C ATOM 2643 O GLU B 71 9.727 12.074 1.400 1.00 0.70 O ATOM 2644 CB GLU B 71 8.591 14.545 -0.615 1.00 0.91 C ATOM 2645 CG GLU B 71 8.753 14.986 -2.076 1.00 0.96 C ATOM 2646 CD GLU B 71 10.201 15.362 -2.395 1.00 1.37 C ATOM 2647 OE1 GLU B 71 10.940 14.436 -2.790 1.00 2.35 O ATOM 2648 OE2 GLU B 71 10.562 16.557 -2.233 1.00 2.30 O ATOM 0 H GLU B 71 6.546 13.419 -1.222 1.00 0.67 H new ATOM 0 HA GLU B 71 9.154 12.506 -1.022 1.00 0.69 H new ATOM 0 HB2 GLU B 71 7.723 15.052 -0.193 1.00 0.91 H new ATOM 0 HB3 GLU B 71 9.462 14.881 -0.052 1.00 0.91 H new ATOM 0 HG2 GLU B 71 8.432 14.181 -2.737 1.00 0.96 H new ATOM 0 HG3 GLU B 71 8.103 15.839 -2.273 1.00 0.96 H new ATOM 2655 N TYR B 72 7.661 12.778 1.910 1.00 0.57 N ATOM 2656 CA TYR B 72 7.677 12.370 3.320 1.00 0.54 C ATOM 2657 C TYR B 72 7.669 10.844 3.513 1.00 0.53 C ATOM 2658 O TYR B 72 8.541 10.289 4.178 1.00 0.55 O ATOM 2659 CB TYR B 72 6.473 13.027 3.998 1.00 0.54 C ATOM 2660 CG TYR B 72 6.161 12.563 5.407 1.00 0.53 C ATOM 2661 CD1 TYR B 72 6.845 13.130 6.491 1.00 2.02 C ATOM 2662 CD2 TYR B 72 5.133 11.629 5.644 1.00 2.04 C ATOM 2663 CE1 TYR B 72 6.494 12.805 7.818 1.00 2.14 C ATOM 2664 CE2 TYR B 72 4.787 11.289 6.962 1.00 2.00 C ATOM 2665 CZ TYR B 72 5.446 11.888 8.057 1.00 0.77 C ATOM 2666 OH TYR B 72 5.053 11.570 9.322 1.00 0.94 O ATOM 0 H TYR B 72 6.774 13.194 1.627 1.00 0.57 H new ATOM 0 HA TYR B 72 8.610 12.701 3.776 1.00 0.54 H new ATOM 0 HB2 TYR B 72 6.639 14.104 4.021 1.00 0.54 H new ATOM 0 HB3 TYR B 72 5.594 12.853 3.378 1.00 0.54 H new ATOM 0 HD1 TYR B 72 7.651 13.825 6.308 1.00 2.02 H new ATOM 0 HD2 TYR B 72 4.612 11.175 4.814 1.00 2.04 H new ATOM 0 HE1 TYR B 72 7.023 13.254 8.646 1.00 2.14 H new ATOM 0 HE2 TYR B 72 4.009 10.562 7.139 1.00 2.00 H new ATOM 0 HH TYR B 72 4.318 10.923 9.283 1.00 0.94 H new ATOM 2676 N SER B 73 6.706 10.135 2.928 1.00 0.56 N ATOM 2677 CA SER B 73 6.574 8.687 3.100 1.00 0.60 C ATOM 2678 C SER B 73 7.753 7.910 2.498 1.00 0.61 C ATOM 2679 O SER B 73 8.174 6.915 3.096 1.00 0.64 O ATOM 2680 CB SER B 73 5.237 8.225 2.533 1.00 0.71 C ATOM 2681 OG SER B 73 4.861 7.029 3.166 1.00 2.33 O ATOM 0 H SER B 73 5.996 10.546 2.322 1.00 0.56 H new ATOM 0 HA SER B 73 6.597 8.469 4.168 1.00 0.60 H new ATOM 0 HB2 SER B 73 4.477 8.990 2.691 1.00 0.71 H new ATOM 0 HB3 SER B 73 5.317 8.072 1.457 1.00 0.71 H new ATOM 0 HG SER B 73 4.045 6.681 2.749 1.00 2.33 H new ATOM 2687 N VAL B 74 8.358 8.388 1.397 1.00 0.62 N ATOM 2688 CA VAL B 74 9.627 7.836 0.908 1.00 0.63 C ATOM 2689 C VAL B 74 10.756 8.122 1.892 1.00 0.64 C ATOM 2690 O VAL B 74 11.530 7.218 2.162 1.00 0.74 O ATOM 2691 CB VAL B 74 10.060 8.271 -0.512 1.00 0.67 C ATOM 2692 CG1 VAL B 74 9.028 7.844 -1.559 1.00 0.71 C ATOM 2693 CG2 VAL B 74 10.413 9.753 -0.713 1.00 0.67 C ATOM 0 H VAL B 74 7.988 9.153 0.833 1.00 0.62 H new ATOM 0 HA VAL B 74 9.430 6.767 0.831 1.00 0.63 H new ATOM 0 HB VAL B 74 11.004 7.744 -0.647 1.00 0.67 H new ATOM 0 HG11 VAL B 74 9.359 8.163 -2.547 1.00 0.71 H new ATOM 0 HG12 VAL B 74 8.922 6.759 -1.544 1.00 0.71 H new ATOM 0 HG13 VAL B 74 8.067 8.305 -1.332 1.00 0.71 H new ATOM 0 HG21 VAL B 74 10.699 9.921 -1.751 1.00 0.67 H new ATOM 0 HG22 VAL B 74 9.547 10.369 -0.470 1.00 0.67 H new ATOM 0 HG23 VAL B 74 11.244 10.021 -0.060 1.00 0.67 H new ATOM 2703 N PHE B 75 10.845 9.314 2.491 1.00 0.61 N ATOM 2704 CA PHE B 75 11.913 9.609 3.444 1.00 0.60 C ATOM 2705 C PHE B 75 11.860 8.667 4.654 1.00 0.57 C ATOM 2706 O PHE B 75 12.872 8.060 5.009 1.00 0.57 O ATOM 2707 CB PHE B 75 11.817 11.080 3.860 1.00 0.61 C ATOM 2708 CG PHE B 75 13.072 11.613 4.498 1.00 0.56 C ATOM 2709 CD1 PHE B 75 13.368 11.362 5.851 1.00 2.07 C ATOM 2710 CD2 PHE B 75 13.944 12.388 3.722 1.00 1.84 C ATOM 2711 CE1 PHE B 75 14.515 11.925 6.439 1.00 2.09 C ATOM 2712 CE2 PHE B 75 15.075 12.957 4.318 1.00 1.82 C ATOM 2713 CZ PHE B 75 15.364 12.740 5.669 1.00 0.60 C ATOM 0 H PHE B 75 10.194 10.083 2.333 1.00 0.61 H new ATOM 0 HA PHE B 75 12.879 9.440 2.968 1.00 0.60 H new ATOM 0 HB2 PHE B 75 11.583 11.682 2.982 1.00 0.61 H new ATOM 0 HB3 PHE B 75 10.988 11.198 4.557 1.00 0.61 H new ATOM 0 HD1 PHE B 75 12.713 10.736 6.439 1.00 2.07 H new ATOM 0 HD2 PHE B 75 13.745 12.545 2.672 1.00 1.84 H new ATOM 0 HE1 PHE B 75 14.743 11.732 7.477 1.00 2.09 H new ATOM 0 HE2 PHE B 75 15.735 13.573 3.725 1.00 1.82 H new ATOM 0 HZ PHE B 75 16.234 13.196 6.118 1.00 0.60 H new ATOM 2723 N LEU B 76 10.669 8.471 5.231 1.00 0.57 N ATOM 2724 CA LEU B 76 10.436 7.520 6.323 1.00 0.59 C ATOM 2725 C LEU B 76 10.738 6.081 5.888 1.00 0.61 C ATOM 2726 O LEU B 76 11.495 5.386 6.569 1.00 0.61 O ATOM 2727 CB LEU B 76 8.972 7.646 6.780 1.00 0.60 C ATOM 2728 CG LEU B 76 8.677 8.755 7.805 1.00 0.64 C ATOM 2729 CD1 LEU B 76 9.290 10.139 7.535 1.00 2.33 C ATOM 2730 CD2 LEU B 76 7.155 8.880 7.924 1.00 2.84 C ATOM 0 H LEU B 76 9.829 8.976 4.948 1.00 0.57 H new ATOM 0 HA LEU B 76 11.108 7.755 7.148 1.00 0.59 H new ATOM 0 HB2 LEU B 76 8.351 7.818 5.900 1.00 0.60 H new ATOM 0 HB3 LEU B 76 8.662 6.692 7.207 1.00 0.60 H new ATOM 0 HG LEU B 76 9.164 8.440 8.728 1.00 0.64 H new ATOM 0 HD11 LEU B 76 9.004 10.825 8.332 1.00 2.33 H new ATOM 0 HD12 LEU B 76 10.376 10.055 7.500 1.00 2.33 H new ATOM 0 HD13 LEU B 76 8.925 10.519 6.581 1.00 2.33 H new ATOM 0 HD21 LEU B 76 6.909 9.660 8.645 1.00 2.84 H new ATOM 0 HD22 LEU B 76 6.734 9.138 6.952 1.00 2.84 H new ATOM 0 HD23 LEU B 76 6.737 7.931 8.260 1.00 2.84 H new ATOM 2742 N THR B 77 10.175 5.644 4.751 1.00 0.68 N ATOM 2743 CA THR B 77 10.284 4.253 4.292 1.00 0.79 C ATOM 2744 C THR B 77 11.702 3.920 3.882 1.00 0.90 C ATOM 2745 O THR B 77 12.237 2.941 4.390 1.00 0.92 O ATOM 2746 CB THR B 77 9.308 3.936 3.156 1.00 0.95 C ATOM 2747 OG1 THR B 77 8.010 4.271 3.573 1.00 0.91 O ATOM 2748 CG2 THR B 77 9.345 2.441 2.828 1.00 1.28 C ATOM 0 H THR B 77 9.634 6.243 4.127 1.00 0.68 H new ATOM 0 HA THR B 77 10.011 3.624 5.139 1.00 0.79 H new ATOM 0 HB THR B 77 9.590 4.506 2.271 1.00 0.95 H new ATOM 0 HG1 THR B 77 7.934 5.245 3.655 1.00 0.91 H new ATOM 0 HG21 THR B 77 8.646 2.229 2.019 1.00 1.28 H new ATOM 0 HG22 THR B 77 10.353 2.161 2.521 1.00 1.28 H new ATOM 0 HG23 THR B 77 9.062 1.868 3.711 1.00 1.28 H new ATOM 2756 N MET B 78 12.339 4.722 3.019 1.00 1.04 N ATOM 2757 CA MET B 78 13.727 4.508 2.600 1.00 1.24 C ATOM 2758 C MET B 78 14.634 4.361 3.810 1.00 1.28 C ATOM 2759 O MET B 78 15.379 3.393 3.885 1.00 1.53 O ATOM 2760 CB MET B 78 14.255 5.662 1.730 1.00 1.20 C ATOM 2761 CG MET B 78 13.528 5.758 0.386 1.00 3.26 C ATOM 2762 SD MET B 78 14.602 5.908 -1.060 1.00 2.96 S ATOM 2763 CE MET B 78 15.188 7.598 -0.771 1.00 2.01 C ATOM 0 H MET B 78 11.904 5.539 2.592 1.00 1.04 H new ATOM 0 HA MET B 78 13.735 3.593 2.008 1.00 1.24 H new ATOM 0 HB2 MET B 78 14.141 6.602 2.270 1.00 1.20 H new ATOM 0 HB3 MET B 78 15.322 5.523 1.554 1.00 1.20 H new ATOM 0 HG2 MET B 78 12.903 4.873 0.265 1.00 3.26 H new ATOM 0 HG3 MET B 78 12.860 6.619 0.413 1.00 3.26 H new ATOM 0 HE1 MET B 78 15.875 7.886 -1.567 1.00 2.01 H new ATOM 0 HE2 MET B 78 14.338 8.281 -0.760 1.00 2.01 H new ATOM 0 HE3 MET B 78 15.704 7.645 0.188 1.00 2.01 H new ATOM 2773 N LEU B 79 14.556 5.300 4.755 1.00 1.10 N ATOM 2774 CA LEU B 79 15.498 5.384 5.876 1.00 1.18 C ATOM 2775 C LEU B 79 15.284 4.282 6.923 1.00 0.89 C ATOM 2776 O LEU B 79 16.261 3.673 7.356 1.00 1.01 O ATOM 2777 CB LEU B 79 15.454 6.822 6.427 1.00 1.45 C ATOM 2778 CG LEU B 79 16.676 7.297 7.240 1.00 1.81 C ATOM 2779 CD1 LEU B 79 16.576 6.866 8.701 1.00 1.31 C ATOM 2780 CD2 LEU B 79 18.022 6.836 6.645 1.00 3.84 C ATOM 0 H LEU B 79 13.838 6.025 4.766 1.00 1.10 H new ATOM 0 HA LEU B 79 16.513 5.186 5.531 1.00 1.18 H new ATOM 0 HB2 LEU B 79 15.321 7.503 5.587 1.00 1.45 H new ATOM 0 HB3 LEU B 79 14.570 6.917 7.057 1.00 1.45 H new ATOM 0 HG LEU B 79 16.657 8.385 7.186 1.00 1.81 H new ATOM 0 HD11 LEU B 79 17.453 7.217 9.245 1.00 1.31 H new ATOM 0 HD12 LEU B 79 15.678 7.294 9.146 1.00 1.31 H new ATOM 0 HD13 LEU B 79 16.526 5.779 8.757 1.00 1.31 H new ATOM 0 HD21 LEU B 79 18.839 7.204 7.265 1.00 3.84 H new ATOM 0 HD22 LEU B 79 18.052 5.747 6.614 1.00 3.84 H new ATOM 0 HD23 LEU B 79 18.127 7.231 5.634 1.00 3.84 H new ATOM 2792 N CYS B 80 14.032 3.965 7.263 1.00 0.67 N ATOM 2793 CA CYS B 80 13.715 2.836 8.143 1.00 0.72 C ATOM 2794 C CYS B 80 14.058 1.480 7.489 1.00 0.89 C ATOM 2795 O CYS B 80 14.607 0.598 8.148 1.00 0.97 O ATOM 2796 CB CYS B 80 12.243 2.970 8.568 1.00 1.12 C ATOM 2797 SG CYS B 80 11.904 1.837 9.947 1.00 1.67 S ATOM 0 H CYS B 80 13.213 4.480 6.939 1.00 0.67 H new ATOM 0 HA CYS B 80 14.336 2.861 9.038 1.00 0.72 H new ATOM 0 HB2 CYS B 80 12.032 3.997 8.867 1.00 1.12 H new ATOM 0 HB3 CYS B 80 11.588 2.742 7.727 1.00 1.12 H new ATOM 0 HG CYS B 80 10.660 1.952 10.307 1.00 1.67 H new ATOM 2803 N MET B 81 13.836 1.324 6.178 1.00 1.18 N ATOM 2804 CA MET B 81 14.308 0.152 5.433 1.00 1.56 C ATOM 2805 C MET B 81 15.838 0.080 5.408 1.00 1.64 C ATOM 2806 O MET B 81 16.385 -1.004 5.569 1.00 1.94 O ATOM 2807 CB MET B 81 13.725 0.162 4.014 1.00 1.77 C ATOM 2808 CG MET B 81 13.953 -1.179 3.303 1.00 2.38 C ATOM 2809 SD MET B 81 14.229 -1.022 1.528 1.00 2.63 S ATOM 2810 CE MET B 81 15.973 -0.543 1.611 1.00 2.64 C ATOM 0 H MET B 81 13.328 2.001 5.608 1.00 1.18 H new ATOM 0 HA MET B 81 13.957 -0.744 5.945 1.00 1.56 H new ATOM 0 HB2 MET B 81 12.657 0.374 4.060 1.00 1.77 H new ATOM 0 HB3 MET B 81 14.184 0.964 3.436 1.00 1.77 H new ATOM 0 HG2 MET B 81 14.812 -1.677 3.753 1.00 2.38 H new ATOM 0 HG3 MET B 81 13.088 -1.821 3.472 1.00 2.38 H new ATOM 0 HE1 MET B 81 16.357 -0.391 0.602 1.00 2.64 H new ATOM 0 HE2 MET B 81 16.070 0.382 2.179 1.00 2.64 H new ATOM 0 HE3 MET B 81 16.544 -1.331 2.101 1.00 2.64 H new ATOM 2820 N ALA B 82 16.526 1.215 5.251 1.00 1.63 N ATOM 2821 CA ALA B 82 17.978 1.274 5.113 1.00 2.00 C ATOM 2822 C ALA B 82 18.759 0.921 6.392 1.00 1.75 C ATOM 2823 O ALA B 82 19.981 0.786 6.321 1.00 2.16 O ATOM 2824 CB ALA B 82 18.370 2.660 4.581 1.00 2.41 C ATOM 0 H ALA B 82 16.079 2.131 5.216 1.00 1.63 H new ATOM 0 HA ALA B 82 18.263 0.498 4.403 1.00 2.00 H new ATOM 0 HB1 ALA B 82 19.453 2.716 4.474 1.00 2.41 H new ATOM 0 HB2 ALA B 82 17.901 2.824 3.611 1.00 2.41 H new ATOM 0 HB3 ALA B 82 18.035 3.426 5.280 1.00 2.41 H new ATOM 2830 N TYR B 83 18.103 0.774 7.548 1.00 1.26 N ATOM 2831 CA TYR B 83 18.753 0.266 8.762 1.00 1.25 C ATOM 2832 C TYR B 83 18.099 -0.960 9.410 1.00 1.15 C ATOM 2833 O TYR B 83 18.663 -1.475 10.379 1.00 1.58 O ATOM 2834 CB TYR B 83 18.968 1.401 9.773 1.00 1.42 C ATOM 2835 CG TYR B 83 17.760 2.060 10.407 1.00 1.26 C ATOM 2836 CD1 TYR B 83 16.926 1.353 11.297 1.00 1.89 C ATOM 2837 CD2 TYR B 83 17.566 3.442 10.233 1.00 2.11 C ATOM 2838 CE1 TYR B 83 15.884 2.010 11.978 1.00 1.95 C ATOM 2839 CE2 TYR B 83 16.544 4.105 10.927 1.00 2.08 C ATOM 2840 CZ TYR B 83 15.685 3.395 11.792 1.00 1.28 C ATOM 2841 OH TYR B 83 14.675 4.045 12.427 1.00 1.49 O ATOM 0 H TYR B 83 17.116 1.001 7.669 1.00 1.26 H new ATOM 0 HA TYR B 83 19.718 -0.112 8.426 1.00 1.25 H new ATOM 0 HB2 TYR B 83 19.590 1.010 10.578 1.00 1.42 H new ATOM 0 HB3 TYR B 83 19.544 2.181 9.275 1.00 1.42 H new ATOM 0 HD1 TYR B 83 17.088 0.297 11.458 1.00 1.89 H new ATOM 0 HD2 TYR B 83 18.207 3.995 9.562 1.00 2.11 H new ATOM 0 HE1 TYR B 83 15.238 1.455 12.642 1.00 1.95 H new ATOM 0 HE2 TYR B 83 16.413 5.169 10.798 1.00 2.08 H new ATOM 0 HH TYR B 83 14.691 4.994 12.181 1.00 1.49 H new ATOM 2851 N ASN B 84 16.962 -1.463 8.924 1.00 1.05 N ATOM 2852 CA ASN B 84 16.385 -2.727 9.412 1.00 1.15 C ATOM 2853 C ASN B 84 17.047 -3.960 8.772 1.00 1.21 C ATOM 2854 O ASN B 84 16.399 -4.850 8.224 1.00 1.59 O ATOM 2855 CB ASN B 84 14.850 -2.704 9.367 1.00 1.45 C ATOM 2856 CG ASN B 84 14.287 -2.036 10.615 1.00 2.34 C ATOM 2857 OD1 ASN B 84 14.244 -2.635 11.682 1.00 3.26 O ATOM 2858 ND2 ASN B 84 13.902 -0.781 10.547 1.00 2.87 N ATOM 0 H ASN B 84 16.416 -1.014 8.188 1.00 1.05 H new ATOM 0 HA ASN B 84 16.627 -2.825 10.470 1.00 1.15 H new ATOM 0 HB2 ASN B 84 14.515 -2.169 8.479 1.00 1.45 H new ATOM 0 HB3 ASN B 84 14.468 -3.722 9.289 1.00 1.45 H new ATOM 0 HD21 ASN B 84 13.567 -0.304 11.384 1.00 2.87 H new ATOM 0 HD22 ASN B 84 13.939 -0.284 9.657 1.00 2.87 H new ATOM 2865 N ASP B 85 18.364 -4.056 8.971 1.00 1.62 N ATOM 2866 CA ASP B 85 19.162 -5.291 8.932 1.00 1.83 C ATOM 2867 C ASP B 85 18.621 -6.389 9.867 1.00 1.98 C ATOM 2868 O ASP B 85 18.921 -7.560 9.679 1.00 2.31 O ATOM 2869 CB ASP B 85 20.630 -4.938 9.264 1.00 2.57 C ATOM 2870 CG ASP B 85 20.836 -4.044 10.504 1.00 3.20 C ATOM 2871 OD1 ASP B 85 20.087 -4.164 11.502 1.00 3.66 O ATOM 2872 OD2 ASP B 85 21.700 -3.138 10.458 1.00 4.18 O ATOM 0 H ASP B 85 18.934 -3.235 9.174 1.00 1.62 H new ATOM 0 HA ASP B 85 19.096 -5.711 7.928 1.00 1.83 H new ATOM 0 HB2 ASP B 85 21.184 -5.865 9.411 1.00 2.57 H new ATOM 0 HB3 ASP B 85 21.069 -4.438 8.401 1.00 2.57 H new ATOM 2877 N PHE B 86 17.733 -6.033 10.799 1.00 2.13 N ATOM 2878 CA PHE B 86 16.905 -6.938 11.598 1.00 2.59 C ATOM 2879 C PHE B 86 16.015 -7.892 10.761 1.00 2.57 C ATOM 2880 O PHE B 86 15.481 -8.859 11.302 1.00 3.09 O ATOM 2881 CB PHE B 86 16.077 -6.049 12.541 1.00 2.96 C ATOM 2882 CG PHE B 86 15.509 -6.766 13.749 1.00 3.57 C ATOM 2883 CD1 PHE B 86 16.344 -7.049 14.848 1.00 4.45 C ATOM 2884 CD2 PHE B 86 14.151 -7.131 13.790 1.00 4.49 C ATOM 2885 CE1 PHE B 86 15.823 -7.692 15.984 1.00 5.52 C ATOM 2886 CE2 PHE B 86 13.630 -7.779 14.926 1.00 5.86 C ATOM 2887 CZ PHE B 86 14.466 -8.059 16.023 1.00 6.14 C ATOM 0 H PHE B 86 17.564 -5.054 11.028 1.00 2.13 H new ATOM 0 HA PHE B 86 17.548 -7.621 12.154 1.00 2.59 H new ATOM 0 HB2 PHE B 86 16.703 -5.226 12.885 1.00 2.96 H new ATOM 0 HB3 PHE B 86 15.255 -5.610 11.976 1.00 2.96 H new ATOM 0 HD1 PHE B 86 17.387 -6.771 14.817 1.00 4.45 H new ATOM 0 HD2 PHE B 86 13.508 -6.914 12.950 1.00 4.49 H new ATOM 0 HE1 PHE B 86 16.464 -7.904 16.827 1.00 5.52 H new ATOM 0 HE2 PHE B 86 12.588 -8.061 14.956 1.00 5.86 H new ATOM 0 HZ PHE B 86 14.066 -8.556 16.894 1.00 6.14 H new ATOM 2897 N PHE B 87 15.858 -7.643 9.452 1.00 2.24 N ATOM 2898 CA PHE B 87 15.174 -8.534 8.506 1.00 2.56 C ATOM 2899 C PHE B 87 16.145 -9.354 7.630 1.00 2.65 C ATOM 2900 O PHE B 87 15.685 -10.005 6.686 1.00 3.11 O ATOM 2901 CB PHE B 87 14.233 -7.704 7.607 1.00 2.71 C ATOM 2902 CG PHE B 87 13.279 -6.733 8.282 1.00 2.60 C ATOM 2903 CD1 PHE B 87 12.648 -7.049 9.501 1.00 3.46 C ATOM 2904 CD2 PHE B 87 12.997 -5.501 7.653 1.00 2.95 C ATOM 2905 CE1 PHE B 87 11.768 -6.125 10.098 1.00 4.05 C ATOM 2906 CE2 PHE B 87 12.109 -4.589 8.240 1.00 3.39 C ATOM 2907 CZ PHE B 87 11.506 -4.894 9.473 1.00 3.74 C ATOM 0 H PHE B 87 16.213 -6.794 9.012 1.00 2.24 H new ATOM 0 HA PHE B 87 14.606 -9.252 9.098 1.00 2.56 H new ATOM 0 HB2 PHE B 87 14.850 -7.137 6.910 1.00 2.71 H new ATOM 0 HB3 PHE B 87 13.639 -8.399 7.013 1.00 2.71 H new ATOM 0 HD1 PHE B 87 12.839 -7.999 9.978 1.00 3.46 H new ATOM 0 HD2 PHE B 87 13.469 -5.259 6.712 1.00 2.95 H new ATOM 0 HE1 PHE B 87 11.294 -6.363 11.038 1.00 4.05 H new ATOM 0 HE2 PHE B 87 11.888 -3.654 7.746 1.00 3.39 H new ATOM 0 HZ PHE B 87 10.841 -4.182 9.940 1.00 3.74 H new ATOM 2917 N LEU B 88 17.467 -9.290 7.843 1.00 2.38 N ATOM 2918 CA LEU B 88 18.468 -9.776 6.892 1.00 2.45 C ATOM 2919 C LEU B 88 19.492 -10.751 7.483 1.00 3.19 C ATOM 2920 O LEU B 88 19.960 -10.625 8.610 1.00 4.17 O ATOM 2921 CB LEU B 88 19.204 -8.584 6.256 1.00 1.87 C ATOM 2922 CG LEU B 88 18.307 -7.774 5.302 1.00 1.95 C ATOM 2923 CD1 LEU B 88 17.537 -6.609 5.922 1.00 2.81 C ATOM 2924 CD2 LEU B 88 19.139 -7.277 4.123 1.00 3.41 C ATOM 0 H LEU B 88 17.872 -8.894 8.691 1.00 2.38 H new ATOM 0 HA LEU B 88 17.912 -10.342 6.144 1.00 2.45 H new ATOM 0 HB2 LEU B 88 19.575 -7.929 7.044 1.00 1.87 H new ATOM 0 HB3 LEU B 88 20.074 -8.949 5.709 1.00 1.87 H new ATOM 0 HG LEU B 88 17.532 -8.473 4.988 1.00 1.95 H new ATOM 0 HD11 LEU B 88 16.942 -6.116 5.153 1.00 2.81 H new ATOM 0 HD12 LEU B 88 16.879 -6.984 6.706 1.00 2.81 H new ATOM 0 HD13 LEU B 88 18.240 -5.895 6.350 1.00 2.81 H new ATOM 0 HD21 LEU B 88 18.505 -6.703 3.447 1.00 3.41 H new ATOM 0 HD22 LEU B 88 19.946 -6.643 4.489 1.00 3.41 H new ATOM 0 HD23 LEU B 88 19.560 -8.129 3.590 1.00 3.41 H new ATOM 2936 N GLU B 89 19.869 -11.685 6.615 1.00 3.23 N ATOM 2937 CA GLU B 89 20.968 -12.646 6.761 1.00 3.90 C ATOM 2938 C GLU B 89 22.260 -12.080 6.145 1.00 3.57 C ATOM 2939 O GLU B 89 23.324 -12.155 6.745 1.00 4.21 O ATOM 2940 CB GLU B 89 20.608 -13.947 6.019 1.00 4.51 C ATOM 2941 CG GLU B 89 19.396 -14.705 6.575 1.00 5.21 C ATOM 2942 CD GLU B 89 18.058 -13.972 6.437 1.00 5.54 C ATOM 2943 OE1 GLU B 89 17.820 -13.236 5.451 1.00 5.63 O ATOM 2944 OE2 GLU B 89 17.208 -14.140 7.334 1.00 6.31 O ATOM 0 H GLU B 89 19.382 -11.802 5.726 1.00 3.23 H new ATOM 0 HA GLU B 89 21.123 -12.839 7.823 1.00 3.90 H new ATOM 0 HB2 GLU B 89 20.418 -13.708 4.973 1.00 4.51 H new ATOM 0 HB3 GLU B 89 21.473 -14.610 6.042 1.00 4.51 H new ATOM 0 HG2 GLU B 89 19.322 -15.666 6.065 1.00 5.21 H new ATOM 0 HG3 GLU B 89 19.571 -14.916 7.630 1.00 5.21 H new ATOM 2951 N ASP B 90 22.121 -11.477 4.956 1.00 3.16 N ATOM 2952 CA ASP B 90 23.056 -10.587 4.264 1.00 3.46 C ATOM 2953 C ASP B 90 22.301 -9.912 3.086 1.00 3.65 C ATOM 2954 O ASP B 90 21.067 -9.883 3.108 1.00 4.13 O ATOM 2955 CB ASP B 90 24.372 -11.297 3.859 1.00 4.68 C ATOM 2956 CG ASP B 90 25.512 -10.276 3.764 1.00 5.58 C ATOM 2957 OD1 ASP B 90 25.715 -9.706 2.668 1.00 6.59 O ATOM 2958 OD2 ASP B 90 26.082 -9.888 4.805 1.00 5.84 O ATOM 0 H ASP B 90 21.273 -11.614 4.406 1.00 3.16 H new ATOM 0 HA ASP B 90 23.397 -9.805 4.942 1.00 3.46 H new ATOM 0 HB2 ASP B 90 24.621 -12.065 4.592 1.00 4.68 H new ATOM 0 HB3 ASP B 90 24.243 -11.800 2.901 1.00 4.68 H new ATOM 2963 N ASN B 91 23.015 -9.380 2.084 1.00 4.22 N ATOM 2964 CA ASN B 91 22.569 -8.621 0.898 1.00 5.15 C ATOM 2965 C ASN B 91 22.503 -7.105 1.190 1.00 5.47 C ATOM 2966 O ASN B 91 21.433 -6.497 1.159 1.00 6.49 O ATOM 2967 CB ASN B 91 21.284 -9.166 0.232 1.00 6.05 C ATOM 2968 CG ASN B 91 21.392 -10.633 -0.161 1.00 6.48 C ATOM 2969 OD1 ASN B 91 21.864 -10.977 -1.236 1.00 7.37 O ATOM 2970 ND2 ASN B 91 20.946 -11.536 0.687 1.00 6.51 N ATOM 0 H ASN B 91 24.030 -9.480 2.081 1.00 4.22 H new ATOM 0 HA ASN B 91 23.339 -8.776 0.142 1.00 5.15 H new ATOM 0 HB2 ASN B 91 20.445 -9.040 0.917 1.00 6.05 H new ATOM 0 HB3 ASN B 91 21.062 -8.573 -0.656 1.00 6.05 H new ATOM 0 HD21 ASN B 91 20.993 -12.527 0.449 1.00 6.51 H new ATOM 0 HD22 ASN B 91 20.553 -11.245 1.582 1.00 6.51 H new ATOM 2977 N LYS B 92 23.671 -6.507 1.485 1.00 5.57 N ATOM 2978 CA LYS B 92 23.910 -5.065 1.706 1.00 6.57 C ATOM 2979 C LYS B 92 25.387 -4.683 1.623 1.00 7.28 C ATOM 2980 O LYS B 92 26.205 -5.591 1.890 1.00 7.35 O ATOM 2981 CB LYS B 92 23.265 -4.517 2.994 1.00 7.02 C ATOM 2982 CG LYS B 92 24.035 -4.723 4.312 1.00 7.52 C ATOM 2983 CD LYS B 92 23.805 -6.083 4.975 1.00 7.04 C ATOM 2984 CE LYS B 92 24.484 -7.325 4.386 1.00 7.32 C ATOM 2985 NZ LYS B 92 25.921 -7.177 4.056 1.00 8.09 N ATOM 2986 OXT LYS B 92 25.656 -3.490 1.386 1.00 8.27 O ATOM 0 H LYS B 92 24.529 -7.050 1.582 1.00 5.57 H new ATOM 0 HA LYS B 92 23.401 -4.578 0.874 1.00 6.57 H new ATOM 0 HB2 LYS B 92 23.103 -3.447 2.861 1.00 7.02 H new ATOM 0 HB3 LYS B 92 22.283 -4.977 3.102 1.00 7.02 H new ATOM 0 HG2 LYS B 92 25.101 -4.603 4.118 1.00 7.52 H new ATOM 0 HG3 LYS B 92 23.748 -3.938 5.012 1.00 7.52 H new ATOM 0 HD2 LYS B 92 24.120 -5.999 6.015 1.00 7.04 H new ATOM 0 HD3 LYS B 92 22.731 -6.268 4.981 1.00 7.04 H new ATOM 0 HE2 LYS B 92 24.376 -8.146 5.095 1.00 7.32 H new ATOM 0 HE3 LYS B 92 23.950 -7.613 3.480 1.00 7.32 H new ATOM 0 HZ1 LYS B 92 26.420 -8.063 4.272 1.00 8.09 H new ATOM 0 HZ2 LYS B 92 26.024 -6.960 3.044 1.00 8.09 H new ATOM 0 HZ3 LYS B 92 26.329 -6.404 4.620 1.00 8.09 H new TER 3000 LYS B 92