USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1400 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 70 ASN : amide:sc= -1.36! C(o=-1.9!,f=-4.4!) USER MOD Set 1.2: B 72 LYS NZ :NH3+ -178:sc= -0.508 (180deg=-0.444) USER MOD Set 2.1: B 3 THR OG1 : rot -140:sc= -0.424 USER MOD Set 2.2: B 7 HIS : no HD1:sc= -2.56! C(o=-3!,f=-6.9!) USER MOD Set 3.1: A 70 ASN : amide:sc= -1.57! C(o=-2!,f=-4.4!) USER MOD Set 3.2: A 72 LYS NZ :NH3+ -176:sc= -0.461 (180deg=-0.454) USER MOD Set 4.1: A 3 THR OG1 : rot -140:sc= -0.433 USER MOD Set 4.2: A 7 HIS : no HD1:sc= -2.72! C(o=-3.2!,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.184 (180deg=-0.987) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.538 USER MOD Single : A 5 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -117:sc= -1.29 (180deg=-2.47) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.103 (180deg=0.0346) USER MOD Single : A 22 SER OG : rot -87:sc= 0.403 USER MOD Single : A 32 LYS NZ :NH3+ -113:sc= -1.95 (180deg=-4.71!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0649 (180deg=-0.481) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0172 (180deg=-0.274) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 48 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.51) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0.984 (180deg=0.796) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.0191 (180deg=-1.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 90:sc= 0.719 USER MOD Single : A 67 CYS SG : rot -52:sc= -0.776 USER MOD Single : A 73 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.5!) USER MOD Single : A 74 SER OG : rot 80:sc= 0.421 USER MOD Single : A 77 CYS SG : rot -31:sc= -0.195 USER MOD Single : A 80 CYS SG : rot 81:sc= -1.28 USER MOD Single : A 85 CYS SG : rot 82:sc= -1.71 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 158:sc= -0.149 (180deg=-0.941) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= -0.473 USER MOD Single : B 5 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.5) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -124:sc= -1.37 (180deg=-2.51) USER MOD Single : B 18 LYS NZ :NH3+ 159:sc= 0.115 (180deg=0.036) USER MOD Single : B 22 SER OG : rot -86:sc= 0.404 USER MOD Single : B 32 LYS NZ :NH3+ -111:sc= -2.03 (180deg=-4.77!) USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.0534 (180deg=-0.496) USER MOD Single : B 41 LYS NZ :NH3+ -163:sc=-0.00717 (180deg=-0.301) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.318 USER MOD Single : B 48 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.5) USER MOD Single : B 53 LYS NZ :NH3+ -166:sc= 0.674 (180deg=0.515) USER MOD Single : B 54 LYS NZ :NH3+ -141:sc= -0.0153 (180deg=-1.26!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 107:sc= 0.724 USER MOD Single : B 67 CYS SG : rot -43:sc= -0.58 USER MOD Single : B 73 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.4!) USER MOD Single : B 74 SER OG : rot 81:sc= 0.421 USER MOD Single : B 77 CYS SG : rot -32:sc= -0.153 USER MOD Single : B 80 CYS SG : rot 81:sc= -1.28 USER MOD Single : B 85 CYS SG : rot 81:sc= -1.76 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 118.127 -6.237 12.290 1.00 3.75 N ATOM 2 CA MET A 1 119.029 -5.912 11.150 1.00 3.27 C ATOM 3 C MET A 1 119.684 -7.195 10.632 1.00 2.28 C ATOM 4 O MET A 1 120.889 -7.282 10.506 1.00 2.68 O ATOM 5 CB MET A 1 120.114 -4.939 11.619 1.00 3.76 C ATOM 6 CG MET A 1 120.773 -5.482 12.890 1.00 4.33 C ATOM 7 SD MET A 1 122.055 -4.330 13.443 1.00 5.05 S ATOM 8 CE MET A 1 122.471 -5.177 14.987 1.00 5.68 C ATOM 0 H1 MET A 1 118.113 -5.441 12.959 1.00 3.75 H new ATOM 0 H2 MET A 1 117.165 -6.407 11.934 1.00 3.75 H new ATOM 0 H3 MET A 1 118.473 -7.090 12.774 1.00 3.75 H new ATOM 0 HA MET A 1 118.449 -5.453 10.349 1.00 3.27 H new ATOM 0 HB2 MET A 1 120.862 -4.807 10.837 1.00 3.76 H new ATOM 0 HB3 MET A 1 119.679 -3.959 11.813 1.00 3.76 H new ATOM 0 HG2 MET A 1 120.026 -5.614 13.672 1.00 4.33 H new ATOM 0 HG3 MET A 1 121.209 -6.462 12.697 1.00 4.33 H new ATOM 0 HE1 MET A 1 123.258 -4.627 15.503 1.00 5.68 H new ATOM 0 HE2 MET A 1 121.587 -5.228 15.623 1.00 5.68 H new ATOM 0 HE3 MET A 1 122.818 -6.186 14.766 1.00 5.68 H new ATOM 20 N THR A 2 118.899 -8.194 10.331 1.00 1.63 N ATOM 21 CA THR A 2 119.480 -9.469 9.824 1.00 1.44 C ATOM 22 C THR A 2 119.888 -9.301 8.358 1.00 1.17 C ATOM 23 O THR A 2 119.094 -8.917 7.521 1.00 1.22 O ATOM 24 CB THR A 2 118.436 -10.582 9.945 1.00 2.22 C ATOM 25 OG1 THR A 2 118.072 -10.739 11.310 1.00 2.76 O ATOM 26 CG2 THR A 2 119.015 -11.894 9.415 1.00 3.02 C ATOM 0 H THR A 2 117.882 -8.182 10.414 1.00 1.63 H new ATOM 0 HA THR A 2 120.360 -9.729 10.412 1.00 1.44 H new ATOM 0 HB THR A 2 117.555 -10.318 9.360 1.00 2.22 H new ATOM 0 HG1 THR A 2 117.402 -11.450 11.390 1.00 2.76 H new ATOM 0 HG21 THR A 2 118.268 -12.683 9.503 1.00 3.02 H new ATOM 0 HG22 THR A 2 119.293 -11.773 8.368 1.00 3.02 H new ATOM 0 HG23 THR A 2 119.897 -12.163 9.995 1.00 3.02 H new ATOM 34 N THR A 3 121.126 -9.583 8.041 1.00 0.96 N ATOM 35 CA THR A 3 121.600 -9.440 6.630 1.00 0.75 C ATOM 36 C THR A 3 121.442 -10.769 5.886 1.00 0.69 C ATOM 37 O THR A 3 121.160 -11.795 6.473 1.00 0.74 O ATOM 38 CB THR A 3 123.075 -9.030 6.631 1.00 0.68 C ATOM 39 OG1 THR A 3 123.842 -10.026 7.293 1.00 0.79 O ATOM 40 CG2 THR A 3 123.234 -7.691 7.357 1.00 0.75 C ATOM 0 H THR A 3 121.832 -9.908 8.701 1.00 0.96 H new ATOM 0 HA THR A 3 121.005 -8.678 6.128 1.00 0.75 H new ATOM 0 HB THR A 3 123.425 -8.927 5.604 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.529 -9.597 7.845 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.284 -7.400 7.357 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.646 -6.928 6.846 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.885 -7.791 8.385 1.00 0.75 H new ATOM 48 N SER A 4 121.625 -10.753 4.593 1.00 0.63 N ATOM 49 CA SER A 4 121.491 -12.004 3.790 1.00 0.61 C ATOM 50 C SER A 4 122.770 -12.838 3.911 1.00 0.60 C ATOM 51 O SER A 4 123.772 -12.397 4.440 1.00 0.57 O ATOM 52 CB SER A 4 121.257 -11.641 2.323 1.00 0.63 C ATOM 53 OG SER A 4 121.413 -12.804 1.521 1.00 1.51 O ATOM 0 H SER A 4 121.863 -9.920 4.054 1.00 0.63 H new ATOM 0 HA SER A 4 120.648 -12.584 4.164 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.257 -11.228 2.194 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.963 -10.872 2.010 1.00 0.63 H new ATOM 0 HG SER A 4 121.262 -12.575 0.580 1.00 1.51 H new ATOM 59 N GLN A 5 122.726 -14.052 3.427 1.00 0.63 N ATOM 60 CA GLN A 5 123.913 -14.953 3.506 1.00 0.64 C ATOM 61 C GLN A 5 125.126 -14.280 2.865 1.00 0.60 C ATOM 62 O GLN A 5 126.257 -14.640 3.128 1.00 0.59 O ATOM 63 CB GLN A 5 123.608 -16.256 2.764 1.00 0.71 C ATOM 64 CG GLN A 5 122.573 -17.064 3.549 1.00 1.34 C ATOM 65 CD GLN A 5 122.208 -18.326 2.764 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.377 -18.379 1.562 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.713 -19.353 3.399 1.00 2.18 N ATOM 0 H GLN A 5 121.908 -14.462 2.975 1.00 0.63 H new ATOM 0 HA GLN A 5 124.133 -15.164 4.553 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.232 -16.038 1.765 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.521 -16.838 2.641 1.00 0.71 H new ATOM 0 HG2 GLN A 5 122.972 -17.334 4.527 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.682 -16.461 3.724 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.571 -19.309 4.408 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.468 -20.200 2.886 1.00 2.18 H new ATOM 76 N LYS A 6 124.906 -13.307 2.024 1.00 0.59 N ATOM 77 CA LYS A 6 126.053 -12.621 1.370 1.00 0.57 C ATOM 78 C LYS A 6 126.945 -11.995 2.442 1.00 0.51 C ATOM 79 O LYS A 6 128.154 -11.975 2.318 1.00 0.50 O ATOM 80 CB LYS A 6 125.536 -11.518 0.434 1.00 0.58 C ATOM 81 CG LYS A 6 124.838 -12.133 -0.794 1.00 0.65 C ATOM 82 CD LYS A 6 125.868 -12.488 -1.886 1.00 0.81 C ATOM 83 CE LYS A 6 126.244 -11.244 -2.703 1.00 1.26 C ATOM 84 NZ LYS A 6 126.938 -11.666 -3.952 1.00 2.02 N ATOM 0 H LYS A 6 123.984 -12.959 1.763 1.00 0.59 H new ATOM 0 HA LYS A 6 126.624 -13.347 0.791 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.839 -10.875 0.971 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.366 -10.889 0.111 1.00 0.58 H new ATOM 0 HG2 LYS A 6 124.292 -13.028 -0.497 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.106 -11.430 -1.192 1.00 0.65 H new ATOM 0 HD2 LYS A 6 126.761 -12.911 -1.426 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.457 -13.252 -2.546 1.00 0.81 H new ATOM 0 HE2 LYS A 6 125.349 -10.671 -2.946 1.00 1.26 H new ATOM 0 HE3 LYS A 6 126.891 -10.592 -2.117 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 127.194 -10.825 -4.508 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 127.799 -12.196 -3.709 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 126.306 -12.272 -4.513 1.00 2.02 H new ATOM 98 N HIS A 7 126.368 -11.468 3.485 1.00 0.49 N ATOM 99 CA HIS A 7 127.202 -10.832 4.542 1.00 0.45 C ATOM 100 C HIS A 7 128.176 -11.850 5.147 1.00 0.45 C ATOM 101 O HIS A 7 129.358 -11.594 5.252 1.00 0.43 O ATOM 102 CB HIS A 7 126.289 -10.263 5.639 1.00 0.45 C ATOM 103 CG HIS A 7 127.105 -9.864 6.843 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.359 -8.538 7.169 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.732 -10.613 7.809 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.107 -8.534 8.291 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.360 -9.771 8.716 1.00 0.42 N ATOM 0 H HIS A 7 125.362 -11.450 3.651 1.00 0.49 H new ATOM 0 HA HIS A 7 127.783 -10.025 4.096 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.745 -9.399 5.257 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.545 -11.007 5.925 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.736 -11.692 7.855 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.457 -7.639 8.784 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.902 -10.042 9.536 1.00 0.42 H new ATOM 115 N ARG A 8 127.698 -13.008 5.549 1.00 0.48 N ATOM 116 CA ARG A 8 128.603 -14.032 6.146 1.00 0.50 C ATOM 117 C ARG A 8 129.520 -14.600 5.068 1.00 0.51 C ATOM 118 O ARG A 8 130.664 -14.921 5.316 1.00 0.51 O ATOM 119 CB ARG A 8 127.769 -15.176 6.738 1.00 0.55 C ATOM 120 CG ARG A 8 127.010 -14.707 7.992 1.00 0.57 C ATOM 121 CD ARG A 8 127.945 -14.624 9.214 1.00 1.00 C ATOM 122 NE ARG A 8 128.804 -15.853 9.311 1.00 1.69 N ATOM 123 CZ ARG A 8 128.288 -17.053 9.361 1.00 2.27 C ATOM 124 NH1 ARG A 8 127.002 -17.219 9.503 1.00 2.42 N ATOM 125 NH2 ARG A 8 129.074 -18.095 9.322 1.00 3.21 N ATOM 0 H ARG A 8 126.718 -13.283 5.487 1.00 0.48 H new ATOM 0 HA ARG A 8 129.199 -13.564 6.929 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.061 -15.539 5.993 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.420 -16.012 6.993 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.564 -13.730 7.806 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.192 -15.396 8.203 1.00 0.57 H new ATOM 0 HD2 ARG A 8 128.576 -13.739 9.136 1.00 1.00 H new ATOM 0 HD3 ARG A 8 127.354 -14.515 10.123 1.00 1.00 H new ATOM 0 HE ARG A 8 129.818 -15.748 9.339 1.00 1.69 H new ATOM 0 HH11 ARG A 8 126.388 -16.408 9.576 1.00 2.42 H new ATOM 0 HH12 ARG A 8 126.610 -18.160 9.541 1.00 2.42 H new ATOM 0 HH21 ARG A 8 130.084 -17.970 9.253 1.00 3.21 H new ATOM 0 HH22 ARG A 8 128.678 -19.034 9.361 1.00 3.21 H new ATOM 139 N ASP A 9 129.024 -14.731 3.874 1.00 0.52 N ATOM 140 CA ASP A 9 129.863 -15.285 2.781 1.00 0.54 C ATOM 141 C ASP A 9 130.979 -14.297 2.450 1.00 0.49 C ATOM 142 O ASP A 9 132.103 -14.674 2.187 1.00 0.49 O ATOM 143 CB ASP A 9 129.002 -15.520 1.540 1.00 0.61 C ATOM 144 CG ASP A 9 128.046 -16.686 1.795 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.340 -17.489 2.666 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.035 -16.757 1.117 1.00 0.76 O ATOM 0 H ASP A 9 128.073 -14.478 3.607 1.00 0.52 H new ATOM 0 HA ASP A 9 130.297 -16.232 3.101 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.437 -14.619 1.300 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.636 -15.737 0.680 1.00 0.61 H new ATOM 151 N PHE A 10 130.668 -13.033 2.443 1.00 0.46 N ATOM 152 CA PHE A 10 131.701 -12.016 2.108 1.00 0.43 C ATOM 153 C PHE A 10 132.823 -12.037 3.159 1.00 0.38 C ATOM 154 O PHE A 10 133.992 -12.071 2.828 1.00 0.36 O ATOM 155 CB PHE A 10 131.049 -10.633 2.072 1.00 0.45 C ATOM 156 CG PHE A 10 132.015 -9.635 1.484 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.044 -9.438 0.098 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.875 -8.907 2.313 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.935 -8.516 -0.461 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.767 -7.982 1.755 1.00 0.43 C ATOM 161 CZ PHE A 10 133.797 -7.787 0.368 1.00 0.43 C ATOM 0 H PHE A 10 129.743 -12.659 2.655 1.00 0.46 H new ATOM 0 HA PHE A 10 132.132 -12.244 1.133 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.136 -10.665 1.477 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.763 -10.328 3.079 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.377 -9.999 -0.540 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.851 -9.058 3.382 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.958 -8.366 -1.530 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.431 -7.419 2.394 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.485 -7.074 -0.062 1.00 0.43 H new ATOM 171 N VAL A 11 132.481 -12.006 4.423 1.00 0.37 N ATOM 172 CA VAL A 11 133.530 -12.014 5.492 1.00 0.35 C ATOM 173 C VAL A 11 133.990 -13.448 5.792 1.00 0.37 C ATOM 174 O VAL A 11 134.722 -13.682 6.732 1.00 0.38 O ATOM 175 CB VAL A 11 132.953 -11.394 6.768 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.459 -9.975 6.475 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.786 -12.251 7.260 1.00 0.40 C ATOM 0 H VAL A 11 131.520 -11.975 4.762 1.00 0.37 H new ATOM 0 HA VAL A 11 134.387 -11.437 5.145 1.00 0.35 H new ATOM 0 HB VAL A 11 133.727 -11.352 7.535 1.00 0.37 H new ATOM 0 HG11 VAL A 11 132.049 -9.537 7.385 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.291 -9.366 6.122 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.685 -10.010 5.709 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.371 -11.814 8.168 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.014 -12.291 6.491 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.139 -13.260 7.471 1.00 0.40 H new ATOM 187 N ALA A 12 133.582 -14.404 4.996 1.00 0.41 N ATOM 188 CA ALA A 12 134.011 -15.826 5.228 1.00 0.48 C ATOM 189 C ALA A 12 135.111 -16.217 4.236 1.00 0.46 C ATOM 190 O ALA A 12 135.781 -17.217 4.406 1.00 0.49 O ATOM 191 CB ALA A 12 132.818 -16.758 5.033 1.00 0.54 C ATOM 0 H ALA A 12 132.969 -14.265 4.193 1.00 0.41 H new ATOM 0 HA ALA A 12 134.393 -15.914 6.245 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.130 -17.789 5.201 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.032 -16.496 5.742 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.438 -16.655 4.016 1.00 0.54 H new ATOM 197 N GLU A 13 135.297 -15.448 3.199 1.00 0.43 N ATOM 198 CA GLU A 13 136.349 -15.787 2.193 1.00 0.43 C ATOM 199 C GLU A 13 136.829 -14.496 1.521 1.00 0.40 C ATOM 200 O GLU A 13 136.097 -13.530 1.459 1.00 0.37 O ATOM 201 CB GLU A 13 135.742 -16.724 1.140 1.00 0.46 C ATOM 202 CG GLU A 13 134.329 -16.255 0.793 1.00 0.48 C ATOM 203 CD GLU A 13 133.801 -17.062 -0.395 1.00 0.61 C ATOM 204 OE1 GLU A 13 133.423 -18.203 -0.188 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.784 -16.526 -1.491 1.00 1.05 O ATOM 0 H GLU A 13 134.767 -14.599 3.003 1.00 0.43 H new ATOM 0 HA GLU A 13 137.192 -16.279 2.677 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.364 -16.733 0.245 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.715 -17.745 1.519 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.671 -16.381 1.653 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.336 -15.192 0.550 1.00 0.48 H new ATOM 212 N PRO A 14 138.037 -14.476 1.002 1.00 0.42 N ATOM 213 CA PRO A 14 138.580 -13.276 0.307 1.00 0.40 C ATOM 214 C PRO A 14 137.494 -12.556 -0.498 1.00 0.36 C ATOM 215 O PRO A 14 136.529 -13.156 -0.929 1.00 0.36 O ATOM 216 CB PRO A 14 139.646 -13.872 -0.613 1.00 0.45 C ATOM 217 CG PRO A 14 140.179 -15.054 0.141 1.00 0.49 C ATOM 218 CD PRO A 14 139.022 -15.576 1.017 1.00 0.48 C ATOM 0 HA PRO A 14 138.971 -12.524 0.992 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.220 -14.172 -1.571 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.434 -13.150 -0.827 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.525 -15.827 -0.545 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.032 -14.769 0.756 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.599 -16.496 0.613 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.357 -15.798 2.030 1.00 0.48 H new ATOM 226 N MET A 15 137.633 -11.276 -0.697 1.00 0.35 N ATOM 227 CA MET A 15 136.596 -10.522 -1.465 1.00 0.35 C ATOM 228 C MET A 15 136.947 -10.535 -2.954 1.00 0.36 C ATOM 229 O MET A 15 136.092 -10.385 -3.806 1.00 0.39 O ATOM 230 CB MET A 15 136.530 -9.081 -0.951 1.00 0.37 C ATOM 231 CG MET A 15 137.909 -8.424 -1.052 1.00 0.41 C ATOM 232 SD MET A 15 137.933 -6.927 -0.037 1.00 0.57 S ATOM 233 CE MET A 15 137.330 -5.785 -1.302 1.00 0.43 C ATOM 0 H MET A 15 138.418 -10.717 -0.363 1.00 0.35 H new ATOM 0 HA MET A 15 135.623 -10.995 -1.328 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.804 -8.512 -1.532 1.00 0.37 H new ATOM 0 HB3 MET A 15 136.188 -9.071 0.084 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.680 -9.117 -0.716 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.132 -8.177 -2.090 1.00 0.41 H new ATOM 0 HE1 MET A 15 138.096 -5.039 -1.514 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.101 -6.339 -2.213 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.429 -5.288 -0.943 1.00 0.43 H new ATOM 243 N GLY A 16 138.198 -10.729 -3.275 1.00 0.37 N ATOM 244 CA GLY A 16 138.610 -10.770 -4.708 1.00 0.40 C ATOM 245 C GLY A 16 138.053 -9.554 -5.450 1.00 0.40 C ATOM 246 O GLY A 16 138.074 -8.446 -4.950 1.00 0.38 O ATOM 0 H GLY A 16 138.955 -10.861 -2.604 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.697 -10.784 -4.782 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.247 -11.687 -5.173 1.00 0.40 H new ATOM 250 N GLU A 17 137.569 -9.756 -6.653 1.00 0.41 N ATOM 251 CA GLU A 17 137.020 -8.625 -7.467 1.00 0.42 C ATOM 252 C GLU A 17 135.507 -8.785 -7.615 1.00 0.40 C ATOM 253 O GLU A 17 134.955 -8.601 -8.682 1.00 0.40 O ATOM 254 CB GLU A 17 137.672 -8.650 -8.851 1.00 0.47 C ATOM 255 CG GLU A 17 139.154 -8.294 -8.720 1.00 0.52 C ATOM 256 CD GLU A 17 139.830 -8.397 -10.089 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.130 -8.650 -11.055 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.037 -8.227 -10.146 1.00 0.85 O ATOM 0 H GLU A 17 137.531 -10.667 -7.110 1.00 0.41 H new ATOM 0 HA GLU A 17 137.233 -7.678 -6.972 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.562 -9.637 -9.299 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.174 -7.942 -9.513 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.262 -7.284 -8.325 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.639 -8.967 -8.012 1.00 0.52 H new ATOM 265 N LYS A 18 134.830 -9.133 -6.554 1.00 0.38 N ATOM 266 CA LYS A 18 133.355 -9.312 -6.640 1.00 0.36 C ATOM 267 C LYS A 18 132.724 -7.970 -7.053 1.00 0.32 C ATOM 268 O LYS A 18 133.246 -6.920 -6.734 1.00 0.31 O ATOM 269 CB LYS A 18 132.816 -9.743 -5.272 1.00 0.36 C ATOM 270 CG LYS A 18 133.297 -11.165 -4.964 1.00 0.45 C ATOM 271 CD LYS A 18 133.076 -11.483 -3.481 1.00 1.17 C ATOM 272 CE LYS A 18 133.768 -12.804 -3.128 1.00 1.44 C ATOM 273 NZ LYS A 18 133.205 -13.335 -1.855 1.00 2.01 N ATOM 0 H LYS A 18 135.235 -9.301 -5.633 1.00 0.38 H new ATOM 0 HA LYS A 18 133.108 -10.078 -7.375 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.160 -9.055 -4.500 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.727 -9.707 -5.269 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.758 -11.882 -5.583 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.354 -11.262 -5.212 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.472 -10.677 -2.863 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.009 -11.552 -3.269 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.625 -13.527 -3.931 1.00 1.44 H new ATOM 0 HE3 LYS A 18 134.842 -12.648 -3.026 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 133.405 -14.353 -1.785 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 133.640 -12.840 -1.050 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.176 -13.183 -1.840 1.00 2.01 H new ATOM 287 N PRO A 19 131.631 -7.993 -7.783 1.00 0.31 N ATOM 288 CA PRO A 19 130.964 -6.742 -8.263 1.00 0.29 C ATOM 289 C PRO A 19 130.540 -5.814 -7.114 1.00 0.25 C ATOM 290 O PRO A 19 130.326 -6.239 -5.996 1.00 0.24 O ATOM 291 CB PRO A 19 129.740 -7.244 -9.062 1.00 0.32 C ATOM 292 CG PRO A 19 129.534 -8.667 -8.636 1.00 0.33 C ATOM 293 CD PRO A 19 130.908 -9.198 -8.229 1.00 0.34 C ATOM 0 HA PRO A 19 131.642 -6.136 -8.864 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.858 -6.640 -8.849 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.919 -7.178 -10.135 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.833 -8.726 -7.804 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.114 -9.259 -9.449 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.831 -9.937 -7.431 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.414 -9.682 -9.065 1.00 0.34 H new ATOM 301 N VAL A 20 130.426 -4.543 -7.398 1.00 0.25 N ATOM 302 CA VAL A 20 130.025 -3.558 -6.353 1.00 0.23 C ATOM 303 C VAL A 20 128.706 -3.985 -5.702 1.00 0.21 C ATOM 304 O VAL A 20 128.477 -3.773 -4.528 1.00 0.23 O ATOM 305 CB VAL A 20 129.860 -2.179 -7.007 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.943 -2.296 -8.228 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.247 -1.195 -6.002 1.00 0.29 C ATOM 0 H VAL A 20 130.596 -4.142 -8.320 1.00 0.25 H new ATOM 0 HA VAL A 20 130.794 -3.513 -5.582 1.00 0.23 H new ATOM 0 HB VAL A 20 130.838 -1.813 -7.319 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.827 -1.316 -8.691 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.381 -2.988 -8.947 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.967 -2.668 -7.916 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.133 -0.218 -6.472 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.271 -1.561 -5.684 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.901 -1.106 -5.135 1.00 0.29 H new ATOM 317 N GLY A 21 127.829 -4.566 -6.478 1.00 0.23 N ATOM 318 CA GLY A 21 126.504 -4.996 -5.946 1.00 0.21 C ATOM 319 C GLY A 21 126.654 -6.248 -5.079 1.00 0.20 C ATOM 320 O GLY A 21 125.687 -6.753 -4.544 1.00 0.19 O ATOM 0 H GLY A 21 127.977 -4.763 -7.468 1.00 0.23 H new ATOM 0 HA2 GLY A 21 126.063 -4.191 -5.359 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.822 -5.198 -6.772 1.00 0.21 H new ATOM 324 N SER A 22 127.845 -6.761 -4.928 1.00 0.20 N ATOM 325 CA SER A 22 128.028 -7.983 -4.091 1.00 0.20 C ATOM 326 C SER A 22 128.112 -7.590 -2.617 1.00 0.19 C ATOM 327 O SER A 22 127.812 -8.371 -1.736 1.00 0.20 O ATOM 328 CB SER A 22 129.332 -8.669 -4.491 1.00 0.23 C ATOM 329 OG SER A 22 130.411 -8.071 -3.785 1.00 1.24 O ATOM 0 H SER A 22 128.697 -6.389 -5.346 1.00 0.20 H new ATOM 0 HA SER A 22 127.184 -8.656 -4.243 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.280 -9.734 -4.266 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.490 -8.578 -5.566 1.00 0.23 H new ATOM 0 HG SER A 22 130.740 -7.295 -4.286 1.00 1.24 H new ATOM 335 N LEU A 23 128.529 -6.389 -2.343 1.00 0.17 N ATOM 336 CA LEU A 23 128.647 -5.948 -0.924 1.00 0.18 C ATOM 337 C LEU A 23 127.279 -6.004 -0.245 1.00 0.18 C ATOM 338 O LEU A 23 126.271 -5.631 -0.810 1.00 0.17 O ATOM 339 CB LEU A 23 129.165 -4.510 -0.873 1.00 0.18 C ATOM 340 CG LEU A 23 130.595 -4.443 -1.422 1.00 0.21 C ATOM 341 CD1 LEU A 23 131.035 -2.977 -1.494 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.557 -5.232 -0.509 1.00 0.24 C ATOM 0 H LEU A 23 128.794 -5.691 -3.038 1.00 0.17 H new ATOM 0 HA LEU A 23 129.340 -6.611 -0.407 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.513 -3.860 -1.456 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.144 -4.144 0.154 1.00 0.18 H new ATOM 0 HG LEU A 23 130.619 -4.886 -2.418 1.00 0.21 H new ATOM 0 HD11 LEU A 23 132.051 -2.921 -1.884 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.363 -2.427 -2.153 1.00 0.23 H new ATOM 0 HD13 LEU A 23 131.004 -2.538 -0.497 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.569 -5.176 -0.911 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.541 -4.804 0.493 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.242 -6.275 -0.463 1.00 0.24 H new ATOM 354 N ALA A 24 127.250 -6.466 0.969 1.00 0.18 N ATOM 355 CA ALA A 24 125.956 -6.546 1.699 1.00 0.19 C ATOM 356 C ALA A 24 125.397 -5.136 1.903 1.00 0.20 C ATOM 357 O ALA A 24 126.099 -4.220 2.285 1.00 0.20 O ATOM 358 CB ALA A 24 126.178 -7.207 3.061 1.00 0.21 C ATOM 0 H ALA A 24 128.065 -6.792 1.489 1.00 0.18 H new ATOM 0 HA ALA A 24 125.248 -7.138 1.118 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.230 -7.266 3.596 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.576 -8.211 2.917 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.886 -6.615 3.641 1.00 0.21 H new ATOM 364 N GLY A 25 124.130 -4.964 1.644 1.00 0.20 N ATOM 365 CA GLY A 25 123.495 -3.620 1.812 1.00 0.21 C ATOM 366 C GLY A 25 123.420 -2.917 0.455 1.00 0.21 C ATOM 367 O GLY A 25 122.617 -2.027 0.252 1.00 0.22 O ATOM 0 H GLY A 25 123.501 -5.699 1.321 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.495 -3.728 2.233 1.00 0.21 H new ATOM 0 HA3 GLY A 25 124.073 -3.018 2.514 1.00 0.21 H new ATOM 371 N ILE A 26 124.242 -3.314 -0.483 1.00 0.20 N ATOM 372 CA ILE A 26 124.213 -2.675 -1.836 1.00 0.21 C ATOM 373 C ILE A 26 123.402 -3.572 -2.770 1.00 0.23 C ATOM 374 O ILE A 26 123.798 -4.683 -3.064 1.00 0.25 O ATOM 375 CB ILE A 26 125.642 -2.539 -2.372 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.517 -1.800 -1.347 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.630 -1.761 -3.691 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.873 -0.464 -0.952 1.00 0.24 C ATOM 0 H ILE A 26 124.934 -4.055 -0.371 1.00 0.20 H new ATOM 0 HA ILE A 26 123.762 -1.685 -1.775 1.00 0.21 H new ATOM 0 HB ILE A 26 126.052 -3.534 -2.544 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.652 -2.421 -0.461 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.507 -1.623 -1.766 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.649 -1.667 -4.067 1.00 0.25 H new ATOM 0 HG22 ILE A 26 125.021 -2.293 -4.422 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.212 -0.768 -3.524 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.507 0.045 -0.226 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.761 0.162 -1.837 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.893 -0.649 -0.512 1.00 0.24 H new ATOM 390 N GLY A 27 122.277 -3.112 -3.248 1.00 0.24 N ATOM 391 CA GLY A 27 121.456 -3.951 -4.169 1.00 0.28 C ATOM 392 C GLY A 27 121.778 -3.588 -5.620 1.00 0.28 C ATOM 393 O GLY A 27 122.613 -2.747 -5.890 1.00 0.27 O ATOM 0 H GLY A 27 121.891 -2.191 -3.041 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.660 -5.007 -3.994 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.396 -3.795 -3.971 1.00 0.28 H new ATOM 397 N GLU A 28 121.129 -4.224 -6.552 1.00 0.30 N ATOM 398 CA GLU A 28 121.409 -3.926 -7.986 1.00 0.32 C ATOM 399 C GLU A 28 121.158 -2.440 -8.262 1.00 0.32 C ATOM 400 O GLU A 28 121.894 -1.805 -8.990 1.00 0.34 O ATOM 401 CB GLU A 28 120.491 -4.769 -8.876 1.00 0.36 C ATOM 402 CG GLU A 28 120.896 -6.246 -8.794 1.00 0.39 C ATOM 403 CD GLU A 28 122.291 -6.440 -9.393 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.468 -6.110 -10.555 1.00 2.01 O ATOM 405 OE2 GLU A 28 123.159 -6.918 -8.679 1.00 1.65 O ATOM 0 H GLU A 28 120.418 -4.936 -6.386 1.00 0.30 H new ATOM 0 HA GLU A 28 122.449 -4.166 -8.205 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.454 -4.649 -8.561 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.552 -4.423 -9.908 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.888 -6.577 -7.755 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.172 -6.860 -9.330 1.00 0.39 H new ATOM 412 N VAL A 29 120.123 -1.880 -7.696 1.00 0.31 N ATOM 413 CA VAL A 29 119.834 -0.438 -7.943 1.00 0.33 C ATOM 414 C VAL A 29 120.969 0.411 -7.366 1.00 0.33 C ATOM 415 O VAL A 29 121.480 1.307 -8.010 1.00 0.35 O ATOM 416 CB VAL A 29 118.510 -0.066 -7.265 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.309 1.451 -7.301 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.355 -0.751 -7.998 1.00 0.35 C ATOM 0 H VAL A 29 119.468 -2.356 -7.076 1.00 0.31 H new ATOM 0 HA VAL A 29 119.756 -0.254 -9.014 1.00 0.33 H new ATOM 0 HB VAL A 29 118.535 -0.396 -6.227 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.366 1.705 -6.817 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.130 1.939 -6.775 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.288 1.791 -8.336 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.412 -0.488 -7.518 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.337 -0.422 -9.037 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.491 -1.832 -7.962 1.00 0.35 H new ATOM 428 N LEU A 30 121.360 0.140 -6.155 1.00 0.32 N ATOM 429 CA LEU A 30 122.454 0.931 -5.525 1.00 0.32 C ATOM 430 C LEU A 30 123.754 0.696 -6.291 1.00 0.32 C ATOM 431 O LEU A 30 124.565 1.587 -6.450 1.00 0.33 O ATOM 432 CB LEU A 30 122.632 0.499 -4.068 1.00 0.32 C ATOM 433 CG LEU A 30 121.351 0.792 -3.274 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.500 0.227 -1.858 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.101 2.312 -3.203 1.00 0.40 C ATOM 0 H LEU A 30 120.968 -0.598 -5.570 1.00 0.32 H new ATOM 0 HA LEU A 30 122.199 1.990 -5.555 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.864 -0.565 -4.021 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.475 1.028 -3.623 1.00 0.32 H new ATOM 0 HG LEU A 30 120.503 0.323 -3.773 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.594 0.431 -1.288 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.661 -0.850 -1.911 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.352 0.697 -1.366 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.190 2.505 -2.637 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.944 2.797 -2.710 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.993 2.710 -4.212 1.00 0.40 H new ATOM 447 N GLY A 31 123.959 -0.498 -6.768 1.00 0.33 N ATOM 448 CA GLY A 31 125.207 -0.790 -7.524 1.00 0.34 C ATOM 449 C GLY A 31 125.311 0.157 -8.722 1.00 0.35 C ATOM 450 O GLY A 31 126.377 0.644 -9.046 1.00 0.35 O ATOM 0 H GLY A 31 123.317 -1.284 -6.667 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.075 -0.670 -6.875 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.205 -1.825 -7.864 1.00 0.34 H new ATOM 454 N LYS A 32 124.217 0.424 -9.388 1.00 0.35 N ATOM 455 CA LYS A 32 124.273 1.340 -10.565 1.00 0.37 C ATOM 456 C LYS A 32 124.620 2.764 -10.115 1.00 0.36 C ATOM 457 O LYS A 32 125.334 3.472 -10.796 1.00 0.38 O ATOM 458 CB LYS A 32 122.928 1.348 -11.299 1.00 0.39 C ATOM 459 CG LYS A 32 122.710 0.002 -12.001 1.00 1.18 C ATOM 460 CD LYS A 32 121.531 0.108 -12.977 1.00 1.37 C ATOM 461 CE LYS A 32 120.230 0.370 -12.213 1.00 2.06 C ATOM 462 NZ LYS A 32 120.131 1.819 -11.880 1.00 2.74 N ATOM 0 H LYS A 32 123.294 0.050 -9.169 1.00 0.35 H new ATOM 0 HA LYS A 32 125.047 0.980 -11.243 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.119 1.535 -10.593 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.907 2.157 -12.029 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.613 -0.289 -12.538 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.514 -0.776 -11.263 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.711 0.913 -13.689 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.443 -0.813 -13.553 1.00 1.37 H new ATOM 0 HE2 LYS A 32 119.374 0.065 -12.816 1.00 2.06 H new ATOM 0 HE3 LYS A 32 120.205 -0.226 -11.301 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.200 1.944 -10.850 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.905 2.335 -12.344 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 119.219 2.190 -12.214 1.00 2.74 H new ATOM 476 N LYS A 33 124.122 3.204 -8.989 1.00 0.35 N ATOM 477 CA LYS A 33 124.440 4.595 -8.547 1.00 0.36 C ATOM 478 C LYS A 33 125.928 4.687 -8.196 1.00 0.34 C ATOM 479 O LYS A 33 126.637 5.540 -8.691 1.00 0.36 O ATOM 480 CB LYS A 33 123.600 4.944 -7.316 1.00 0.36 C ATOM 481 CG LYS A 33 122.120 4.994 -7.704 1.00 0.39 C ATOM 482 CD LYS A 33 121.280 5.344 -6.474 1.00 0.64 C ATOM 483 CE LYS A 33 119.799 5.395 -6.857 1.00 0.65 C ATOM 484 NZ LYS A 33 119.572 6.490 -7.842 1.00 1.54 N ATOM 0 H LYS A 33 123.518 2.670 -8.364 1.00 0.35 H new ATOM 0 HA LYS A 33 124.211 5.295 -9.350 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.757 4.202 -6.533 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.913 5.906 -6.910 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.964 5.736 -8.487 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.807 4.032 -8.109 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.438 4.602 -5.691 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.594 6.306 -6.069 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.491 4.440 -7.283 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.189 5.560 -5.969 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.560 6.726 -7.871 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.116 7.330 -7.559 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.882 6.179 -8.785 1.00 1.54 H new ATOM 498 N LEU A 34 126.415 3.805 -7.367 1.00 0.32 N ATOM 499 CA LEU A 34 127.863 3.837 -7.018 1.00 0.31 C ATOM 500 C LEU A 34 128.677 3.641 -8.303 1.00 0.31 C ATOM 501 O LEU A 34 129.696 4.266 -8.516 1.00 0.33 O ATOM 502 CB LEU A 34 128.180 2.729 -6.004 1.00 0.29 C ATOM 503 CG LEU A 34 127.433 2.995 -4.685 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.585 1.784 -3.752 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.003 4.251 -3.990 1.00 0.34 C ATOM 0 H LEU A 34 125.875 3.066 -6.918 1.00 0.32 H new ATOM 0 HA LEU A 34 128.121 4.795 -6.566 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.888 1.760 -6.408 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.254 2.688 -5.822 1.00 0.29 H new ATOM 0 HG LEU A 34 126.378 3.159 -4.907 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.055 1.975 -2.819 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.166 0.900 -4.233 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.641 1.617 -3.542 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.465 4.427 -3.058 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.061 4.099 -3.775 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.886 5.114 -4.645 1.00 0.34 H new ATOM 517 N GLU A 35 128.221 2.770 -9.159 1.00 0.32 N ATOM 518 CA GLU A 35 128.963 2.532 -10.435 1.00 0.34 C ATOM 519 C GLU A 35 129.038 3.836 -11.230 1.00 0.37 C ATOM 520 O GLU A 35 130.070 4.188 -11.769 1.00 0.39 O ATOM 521 CB GLU A 35 128.243 1.466 -11.263 1.00 0.35 C ATOM 522 CG GLU A 35 129.003 1.238 -12.571 1.00 0.93 C ATOM 523 CD GLU A 35 128.410 0.036 -13.307 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.558 -0.623 -12.734 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.819 -0.206 -14.430 1.00 1.67 O ATOM 0 H GLU A 35 127.374 2.215 -9.035 1.00 0.32 H new ATOM 0 HA GLU A 35 129.971 2.186 -10.207 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.179 0.535 -10.700 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.221 1.782 -11.474 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.942 2.127 -13.198 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.059 1.066 -12.364 1.00 0.93 H new ATOM 532 N GLU A 36 127.963 4.569 -11.288 1.00 0.39 N ATOM 533 CA GLU A 36 127.978 5.862 -12.025 1.00 0.43 C ATOM 534 C GLU A 36 128.935 6.817 -11.314 1.00 0.45 C ATOM 535 O GLU A 36 129.390 7.796 -11.873 1.00 0.49 O ATOM 536 CB GLU A 36 126.569 6.461 -12.047 1.00 0.45 C ATOM 537 CG GLU A 36 126.590 7.795 -12.797 1.00 1.12 C ATOM 538 CD GLU A 36 125.160 8.321 -12.942 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.245 7.601 -12.582 1.00 2.00 O ATOM 540 OE2 GLU A 36 125.007 9.436 -13.413 1.00 1.86 O ATOM 0 H GLU A 36 127.071 4.328 -10.855 1.00 0.39 H new ATOM 0 HA GLU A 36 128.308 5.702 -13.052 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.877 5.771 -12.531 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.210 6.610 -11.029 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.202 8.518 -12.258 1.00 1.12 H new ATOM 0 HG3 GLU A 36 127.042 7.665 -13.780 1.00 1.12 H new ATOM 547 N ARG A 37 129.237 6.536 -10.078 1.00 0.42 N ATOM 548 CA ARG A 37 130.159 7.420 -9.309 1.00 0.45 C ATOM 549 C ARG A 37 131.604 6.937 -9.478 1.00 0.42 C ATOM 550 O ARG A 37 132.517 7.478 -8.887 1.00 0.43 O ATOM 551 CB ARG A 37 129.774 7.393 -7.823 1.00 0.45 C ATOM 552 CG ARG A 37 128.435 8.114 -7.596 1.00 0.53 C ATOM 553 CD ARG A 37 128.650 9.632 -7.512 1.00 0.86 C ATOM 554 NE ARG A 37 127.355 10.297 -7.200 1.00 1.42 N ATOM 555 CZ ARG A 37 127.343 11.526 -6.763 1.00 1.88 C ATOM 556 NH1 ARG A 37 128.466 12.162 -6.574 1.00 2.15 N ATOM 557 NH2 ARG A 37 126.208 12.115 -6.507 1.00 2.69 N ATOM 0 H ARG A 37 128.884 5.729 -9.564 1.00 0.42 H new ATOM 0 HA ARG A 37 130.078 8.440 -9.686 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.700 6.361 -7.480 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.555 7.870 -7.231 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.748 7.882 -8.410 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.973 7.755 -6.677 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.386 9.864 -6.742 1.00 0.86 H new ATOM 0 HD3 ARG A 37 129.046 10.007 -8.455 1.00 0.86 H new ATOM 0 HE ARG A 37 126.478 9.792 -7.328 1.00 1.42 H new ATOM 0 HH11 ARG A 37 129.354 11.698 -6.768 1.00 2.15 H new ATOM 0 HH12 ARG A 37 128.457 13.123 -6.232 1.00 2.15 H new ATOM 0 HH21 ARG A 37 125.330 11.615 -6.648 1.00 2.69 H new ATOM 0 HH22 ARG A 37 126.198 13.076 -6.165 1.00 2.69 H new ATOM 571 N GLY A 38 131.830 5.948 -10.313 1.00 0.40 N ATOM 572 CA GLY A 38 133.229 5.467 -10.553 1.00 0.39 C ATOM 573 C GLY A 38 133.543 4.214 -9.730 1.00 0.37 C ATOM 574 O GLY A 38 134.676 3.777 -9.686 1.00 0.48 O ATOM 0 H GLY A 38 131.107 5.455 -10.837 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.363 5.250 -11.613 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.935 6.257 -10.298 1.00 0.39 H new ATOM 578 N PHE A 39 132.569 3.618 -9.088 1.00 0.31 N ATOM 579 CA PHE A 39 132.832 2.382 -8.282 1.00 0.28 C ATOM 580 C PHE A 39 132.249 1.172 -9.017 1.00 0.28 C ATOM 581 O PHE A 39 131.208 0.658 -8.660 1.00 0.28 O ATOM 582 CB PHE A 39 132.135 2.513 -6.932 1.00 0.27 C ATOM 583 CG PHE A 39 132.788 3.605 -6.121 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.343 4.921 -6.249 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.826 3.300 -5.236 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.937 5.940 -5.495 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.423 4.316 -4.480 1.00 0.30 C ATOM 588 CZ PHE A 39 133.978 5.638 -4.611 1.00 0.32 C ATOM 0 H PHE A 39 131.599 3.934 -9.086 1.00 0.31 H new ATOM 0 HA PHE A 39 133.905 2.255 -8.142 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.079 2.739 -7.079 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.187 1.567 -6.393 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.539 5.154 -6.931 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.168 2.280 -5.135 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.592 6.958 -5.596 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.226 4.081 -3.797 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.438 6.423 -4.030 1.00 0.32 H new ATOM 598 N ASP A 40 132.897 0.733 -10.060 1.00 0.30 N ATOM 599 CA ASP A 40 132.353 -0.422 -10.831 1.00 0.31 C ATOM 600 C ASP A 40 132.654 -1.737 -10.112 1.00 0.29 C ATOM 601 O ASP A 40 132.178 -2.784 -10.507 1.00 0.30 O ATOM 602 CB ASP A 40 132.996 -0.453 -12.220 1.00 0.35 C ATOM 603 CG ASP A 40 134.492 -0.735 -12.083 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.020 -0.523 -11.004 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.086 -1.165 -13.059 1.00 0.41 O ATOM 0 H ASP A 40 133.773 1.120 -10.411 1.00 0.30 H new ATOM 0 HA ASP A 40 131.273 -0.305 -10.919 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.525 -1.221 -12.833 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.840 0.500 -12.726 1.00 0.35 H new ATOM 610 N LYS A 41 133.444 -1.705 -9.068 1.00 0.28 N ATOM 611 CA LYS A 41 133.777 -2.969 -8.333 1.00 0.28 C ATOM 612 C LYS A 41 133.741 -2.725 -6.819 1.00 0.23 C ATOM 613 O LYS A 41 133.812 -1.606 -6.352 1.00 0.23 O ATOM 614 CB LYS A 41 135.155 -3.453 -8.788 1.00 0.34 C ATOM 615 CG LYS A 41 135.040 -3.948 -10.237 1.00 0.48 C ATOM 616 CD LYS A 41 136.397 -4.444 -10.734 1.00 0.74 C ATOM 617 CE LYS A 41 136.265 -4.934 -12.178 1.00 0.71 C ATOM 618 NZ LYS A 41 135.457 -6.186 -12.209 1.00 1.56 N ATOM 0 H LYS A 41 133.874 -0.860 -8.691 1.00 0.28 H new ATOM 0 HA LYS A 41 133.040 -3.740 -8.557 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.883 -2.644 -8.720 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.508 -4.255 -8.140 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.306 -4.752 -10.297 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.683 -3.142 -10.877 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.132 -3.641 -10.677 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.757 -5.252 -10.096 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.790 -4.168 -12.791 1.00 0.71 H new ATOM 0 HE3 LYS A 41 137.252 -5.116 -12.603 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.590 -6.662 -13.124 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 135.765 -6.817 -11.442 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.451 -5.953 -12.083 1.00 1.56 H new ATOM 632 N ALA A 42 133.581 -3.777 -6.058 1.00 0.21 N ATOM 633 CA ALA A 42 133.480 -3.648 -4.571 1.00 0.20 C ATOM 634 C ALA A 42 134.786 -3.165 -3.921 1.00 0.18 C ATOM 635 O ALA A 42 134.758 -2.355 -3.015 1.00 0.18 O ATOM 636 CB ALA A 42 133.109 -5.008 -3.980 1.00 0.21 C ATOM 0 H ALA A 42 133.515 -4.733 -6.408 1.00 0.21 H new ATOM 0 HA ALA A 42 132.716 -2.899 -4.362 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.033 -4.925 -2.896 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.152 -5.333 -4.387 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.878 -5.737 -4.235 1.00 0.21 H new ATOM 642 N TYR A 43 135.921 -3.676 -4.315 1.00 0.19 N ATOM 643 CA TYR A 43 137.182 -3.251 -3.635 1.00 0.18 C ATOM 644 C TYR A 43 137.385 -1.742 -3.784 1.00 0.17 C ATOM 645 O TYR A 43 138.128 -1.135 -3.038 1.00 0.17 O ATOM 646 CB TYR A 43 138.392 -4.023 -4.170 1.00 0.20 C ATOM 647 CG TYR A 43 138.816 -3.509 -5.519 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.740 -2.466 -5.598 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.313 -4.090 -6.686 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.164 -1.998 -6.841 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.734 -3.621 -7.934 1.00 0.28 C ATOM 652 CZ TYR A 43 139.660 -2.575 -8.013 1.00 0.28 C ATOM 653 OH TYR A 43 140.079 -2.113 -9.245 1.00 0.32 O ATOM 0 H TYR A 43 136.032 -4.358 -5.065 1.00 0.19 H new ATOM 0 HA TYR A 43 137.089 -3.484 -2.574 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.221 -3.935 -3.468 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.147 -5.083 -4.243 1.00 0.20 H new ATOM 0 HD1 TYR A 43 140.128 -2.020 -4.694 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.601 -4.899 -6.624 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.880 -1.192 -6.900 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.344 -4.066 -8.837 1.00 0.28 H new ATOM 0 HH TYR A 43 139.634 -2.622 -9.954 1.00 0.32 H new ATOM 663 N VAL A 44 136.715 -1.123 -4.712 1.00 0.18 N ATOM 664 CA VAL A 44 136.860 0.352 -4.861 1.00 0.18 C ATOM 665 C VAL A 44 135.989 1.005 -3.784 1.00 0.17 C ATOM 666 O VAL A 44 136.290 2.058 -3.254 1.00 0.18 O ATOM 667 CB VAL A 44 136.390 0.781 -6.255 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.680 2.271 -6.466 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.134 -0.034 -7.318 1.00 0.24 C ATOM 0 H VAL A 44 136.077 -1.569 -5.371 1.00 0.18 H new ATOM 0 HA VAL A 44 137.901 0.656 -4.747 1.00 0.18 H new ATOM 0 HB VAL A 44 135.318 0.606 -6.341 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.344 2.570 -7.459 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.151 2.855 -5.713 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.752 2.449 -6.377 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.800 0.271 -8.310 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.206 0.141 -7.226 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.926 -1.094 -7.175 1.00 0.24 H new ATOM 679 N VAL A 45 134.908 0.346 -3.461 1.00 0.17 N ATOM 680 CA VAL A 45 133.976 0.857 -2.417 1.00 0.17 C ATOM 681 C VAL A 45 134.591 0.575 -1.048 1.00 0.16 C ATOM 682 O VAL A 45 134.541 1.394 -0.152 1.00 0.16 O ATOM 683 CB VAL A 45 132.632 0.135 -2.536 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.737 0.517 -1.356 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.950 0.530 -3.849 1.00 0.20 C ATOM 0 H VAL A 45 134.628 -0.539 -3.884 1.00 0.17 H new ATOM 0 HA VAL A 45 133.815 1.928 -2.543 1.00 0.17 H new ATOM 0 HB VAL A 45 132.799 -0.942 -2.527 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.781 0.002 -1.443 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.221 0.228 -0.423 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.570 1.594 -1.360 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.993 0.015 -3.931 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.784 1.607 -3.863 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.587 0.250 -4.688 1.00 0.20 H new ATOM 695 N LEU A 46 135.199 -0.569 -0.891 1.00 0.17 N ATOM 696 CA LEU A 46 135.851 -0.893 0.407 1.00 0.18 C ATOM 697 C LEU A 46 136.918 0.166 0.660 1.00 0.17 C ATOM 698 O LEU A 46 137.156 0.581 1.776 1.00 0.18 O ATOM 699 CB LEU A 46 136.499 -2.281 0.316 1.00 0.22 C ATOM 700 CG LEU A 46 137.381 -2.551 1.542 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.574 -2.350 2.828 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.891 -3.994 1.482 1.00 0.35 C ATOM 0 H LEU A 46 135.272 -1.293 -1.606 1.00 0.17 H new ATOM 0 HA LEU A 46 135.125 -0.901 1.220 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.725 -3.045 0.244 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.099 -2.349 -0.591 1.00 0.22 H new ATOM 0 HG LEU A 46 138.221 -1.857 1.540 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.211 -2.544 3.691 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.208 -1.324 2.871 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.729 -3.038 2.838 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.519 -4.194 2.350 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.044 -4.680 1.481 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.474 -4.136 0.572 1.00 0.35 H new ATOM 714 N GLY A 47 137.558 0.604 -0.387 1.00 0.17 N ATOM 715 CA GLY A 47 138.614 1.638 -0.250 1.00 0.18 C ATOM 716 C GLY A 47 138.018 2.905 0.360 1.00 0.18 C ATOM 717 O GLY A 47 138.607 3.525 1.221 1.00 0.18 O ATOM 0 H GLY A 47 137.391 0.285 -1.341 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.422 1.265 0.379 1.00 0.18 H new ATOM 0 HA3 GLY A 47 139.047 1.861 -1.225 1.00 0.18 H new ATOM 721 N GLN A 48 136.848 3.294 -0.072 1.00 0.17 N ATOM 722 CA GLN A 48 136.222 4.520 0.499 1.00 0.18 C ATOM 723 C GLN A 48 136.031 4.324 2.005 1.00 0.17 C ATOM 724 O GLN A 48 136.319 5.197 2.800 1.00 0.18 O ATOM 725 CB GLN A 48 134.861 4.747 -0.165 1.00 0.19 C ATOM 726 CG GLN A 48 134.352 6.150 0.171 1.00 0.22 C ATOM 727 CD GLN A 48 135.219 7.191 -0.543 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.361 7.156 -1.748 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.810 8.121 0.155 1.00 1.09 N ATOM 0 H GLN A 48 136.302 2.819 -0.791 1.00 0.17 H new ATOM 0 HA GLN A 48 136.861 5.384 0.319 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.948 4.630 -1.245 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.148 3.998 0.180 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.312 6.255 -0.137 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.384 6.312 1.248 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.692 8.152 1.168 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.391 8.818 -0.312 1.00 1.09 H new ATOM 738 N PHE A 49 135.560 3.172 2.398 1.00 0.17 N ATOM 739 CA PHE A 49 135.358 2.887 3.849 1.00 0.17 C ATOM 740 C PHE A 49 136.699 3.000 4.575 1.00 0.18 C ATOM 741 O PHE A 49 136.787 3.513 5.674 1.00 0.19 O ATOM 742 CB PHE A 49 134.802 1.470 3.995 1.00 0.17 C ATOM 743 CG PHE A 49 134.639 1.135 5.454 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.486 1.529 6.137 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.639 0.421 6.120 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.335 1.213 7.490 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.489 0.103 7.472 1.00 0.31 C ATOM 748 CZ PHE A 49 134.337 0.499 8.159 1.00 0.26 C ATOM 0 H PHE A 49 135.304 2.409 1.771 1.00 0.17 H new ATOM 0 HA PHE A 49 134.658 3.601 4.283 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.842 1.392 3.485 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.474 0.755 3.521 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.712 2.077 5.620 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.528 0.115 5.589 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.445 1.520 8.020 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.262 -0.448 7.986 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.220 0.254 9.204 1.00 0.26 H new ATOM 758 N LEU A 50 137.731 2.516 3.967 1.00 0.19 N ATOM 759 CA LEU A 50 139.070 2.579 4.613 1.00 0.21 C ATOM 760 C LEU A 50 139.530 4.046 4.659 1.00 0.21 C ATOM 761 O LEU A 50 140.135 4.487 5.617 1.00 0.23 O ATOM 762 CB LEU A 50 140.055 1.725 3.803 1.00 0.23 C ATOM 763 CG LEU A 50 139.683 0.232 3.912 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.461 -0.563 2.854 1.00 0.28 C ATOM 765 CD2 LEU A 50 140.030 -0.315 5.309 1.00 0.28 C ATOM 0 H LEU A 50 137.712 2.076 3.047 1.00 0.19 H new ATOM 0 HA LEU A 50 139.025 2.191 5.631 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.042 2.035 2.758 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.070 1.882 4.169 1.00 0.23 H new ATOM 0 HG LEU A 50 138.610 0.127 3.750 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.201 -1.619 2.928 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.204 -0.195 1.861 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.531 -0.441 3.021 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.760 -1.369 5.364 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.100 -0.205 5.487 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.477 0.242 6.065 1.00 0.28 H new ATOM 777 N VAL A 51 139.256 4.799 3.629 1.00 0.21 N ATOM 778 CA VAL A 51 139.681 6.238 3.598 1.00 0.23 C ATOM 779 C VAL A 51 138.887 7.057 4.630 1.00 0.23 C ATOM 780 O VAL A 51 139.278 8.146 5.001 1.00 0.24 O ATOM 781 CB VAL A 51 139.434 6.810 2.190 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.562 8.340 2.206 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.462 6.234 1.210 1.00 0.27 C ATOM 0 H VAL A 51 138.753 4.482 2.800 1.00 0.21 H new ATOM 0 HA VAL A 51 140.741 6.299 3.844 1.00 0.23 H new ATOM 0 HB VAL A 51 138.427 6.536 1.876 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.385 8.730 1.204 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.828 8.759 2.894 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.564 8.618 2.532 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.284 6.641 0.215 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.467 6.502 1.537 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.368 5.148 1.180 1.00 0.27 H new ATOM 793 N LEU A 52 137.763 6.562 5.063 1.00 0.22 N ATOM 794 CA LEU A 52 136.926 7.335 6.035 1.00 0.23 C ATOM 795 C LEU A 52 137.344 7.028 7.477 1.00 0.23 C ATOM 796 O LEU A 52 136.636 7.352 8.409 1.00 0.24 O ATOM 797 CB LEU A 52 135.458 6.954 5.830 1.00 0.24 C ATOM 798 CG LEU A 52 134.968 7.484 4.469 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.699 6.732 4.056 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.661 8.993 4.556 1.00 0.27 C ATOM 0 H LEU A 52 137.383 5.656 4.789 1.00 0.22 H new ATOM 0 HA LEU A 52 137.067 8.402 5.860 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.344 5.871 5.871 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.849 7.369 6.633 1.00 0.24 H new ATOM 0 HG LEU A 52 135.752 7.326 3.728 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.351 7.106 3.093 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.917 5.667 3.974 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.924 6.887 4.807 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.316 9.351 3.586 1.00 0.27 H new ATOM 0 HD22 LEU A 52 133.885 9.164 5.302 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.564 9.532 4.841 1.00 0.27 H new ATOM 812 N LYS A 53 138.477 6.419 7.681 1.00 0.22 N ATOM 813 CA LYS A 53 138.909 6.119 9.078 1.00 0.23 C ATOM 814 C LYS A 53 137.781 5.407 9.830 1.00 0.24 C ATOM 815 O LYS A 53 137.630 5.555 11.027 1.00 0.30 O ATOM 816 CB LYS A 53 139.271 7.425 9.785 1.00 0.29 C ATOM 817 CG LYS A 53 140.571 7.976 9.183 1.00 0.38 C ATOM 818 CD LYS A 53 140.970 9.295 9.871 1.00 0.49 C ATOM 819 CE LYS A 53 140.266 10.481 9.199 1.00 0.90 C ATOM 820 NZ LYS A 53 140.961 10.807 7.920 1.00 1.70 N ATOM 0 H LYS A 53 139.120 6.117 6.949 1.00 0.22 H new ATOM 0 HA LYS A 53 139.782 5.466 9.058 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.466 8.151 9.670 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.395 7.252 10.854 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.370 7.244 9.297 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.441 8.142 8.114 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.704 9.257 10.927 1.00 0.49 H new ATOM 0 HD3 LYS A 53 142.051 9.428 9.819 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.221 10.237 9.006 1.00 0.90 H new ATOM 0 HE3 LYS A 53 140.274 11.346 9.862 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 140.660 11.747 7.591 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.990 10.807 8.074 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 140.718 10.095 7.202 1.00 1.70 H new ATOM 834 N LYS A 54 136.993 4.630 9.127 1.00 0.22 N ATOM 835 CA LYS A 54 135.864 3.877 9.755 1.00 0.25 C ATOM 836 C LYS A 54 134.906 4.849 10.447 1.00 0.27 C ATOM 837 O LYS A 54 134.129 4.456 11.294 1.00 0.33 O ATOM 838 CB LYS A 54 136.400 2.877 10.788 1.00 0.35 C ATOM 839 CG LYS A 54 137.342 1.882 10.107 1.00 0.67 C ATOM 840 CD LYS A 54 137.857 0.878 11.143 1.00 0.83 C ATOM 841 CE LYS A 54 138.829 -0.100 10.477 1.00 1.41 C ATOM 842 NZ LYS A 54 138.077 -1.046 9.604 1.00 2.24 N ATOM 0 H LYS A 54 137.088 4.484 8.122 1.00 0.22 H new ATOM 0 HA LYS A 54 135.333 3.336 8.972 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.928 3.407 11.581 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.572 2.345 11.257 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.819 1.359 9.306 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.178 2.411 9.650 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.356 1.404 11.956 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.021 0.333 11.582 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.563 0.448 9.887 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.380 -0.653 11.237 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 138.501 -1.993 9.672 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 137.084 -1.088 9.912 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 138.120 -0.718 8.618 1.00 2.24 H new ATOM 856 N ASP A 55 134.929 6.104 10.095 1.00 0.29 N ATOM 857 CA ASP A 55 133.986 7.055 10.748 1.00 0.39 C ATOM 858 C ASP A 55 132.566 6.729 10.260 1.00 0.37 C ATOM 859 O ASP A 55 132.227 6.934 9.111 1.00 0.37 O ATOM 860 CB ASP A 55 134.367 8.485 10.368 1.00 0.46 C ATOM 861 CG ASP A 55 133.429 9.471 11.066 1.00 1.18 C ATOM 862 OD1 ASP A 55 132.251 9.170 11.165 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.905 10.515 11.483 1.00 1.55 O ATOM 0 H ASP A 55 135.550 6.509 9.394 1.00 0.29 H new ATOM 0 HA ASP A 55 134.031 6.963 11.833 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.399 8.685 10.655 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.306 8.613 9.287 1.00 0.46 H new ATOM 868 N GLU A 56 131.755 6.179 11.123 1.00 0.38 N ATOM 869 CA GLU A 56 130.368 5.776 10.736 1.00 0.37 C ATOM 870 C GLU A 56 129.492 6.965 10.308 1.00 0.38 C ATOM 871 O GLU A 56 128.724 6.861 9.377 1.00 0.37 O ATOM 872 CB GLU A 56 129.713 5.073 11.928 1.00 0.39 C ATOM 873 CG GLU A 56 128.360 4.494 11.512 1.00 0.41 C ATOM 874 CD GLU A 56 127.738 3.754 12.697 1.00 0.62 C ATOM 875 OE1 GLU A 56 127.992 2.568 12.830 1.00 0.87 O ATOM 876 OE2 GLU A 56 127.017 4.385 13.453 1.00 0.85 O ATOM 0 H GLU A 56 131.997 5.988 12.095 1.00 0.38 H new ATOM 0 HA GLU A 56 130.447 5.113 9.874 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.362 4.277 12.293 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.580 5.778 12.749 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.697 5.293 11.179 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.487 3.813 10.670 1.00 0.41 H new ATOM 883 N ASP A 57 129.581 8.086 10.968 1.00 0.40 N ATOM 884 CA ASP A 57 128.720 9.245 10.571 1.00 0.41 C ATOM 885 C ASP A 57 129.142 9.763 9.194 1.00 0.40 C ATOM 886 O ASP A 57 128.318 10.093 8.365 1.00 0.40 O ATOM 887 CB ASP A 57 128.858 10.365 11.604 1.00 0.45 C ATOM 888 CG ASP A 57 128.124 9.968 12.887 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.942 10.255 12.981 1.00 0.73 O ATOM 890 OD2 ASP A 57 128.754 9.380 13.750 1.00 0.64 O ATOM 0 H ASP A 57 130.205 8.253 11.758 1.00 0.40 H new ATOM 0 HA ASP A 57 127.681 8.918 10.526 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.911 10.550 11.817 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.445 11.293 11.208 1.00 0.45 H new ATOM 895 N LEU A 58 130.409 9.812 8.936 1.00 0.40 N ATOM 896 CA LEU A 58 130.858 10.284 7.596 1.00 0.40 C ATOM 897 C LEU A 58 130.501 9.226 6.552 1.00 0.37 C ATOM 898 O LEU A 58 130.056 9.536 5.464 1.00 0.38 O ATOM 899 CB LEU A 58 132.366 10.536 7.583 1.00 0.40 C ATOM 900 CG LEU A 58 132.730 11.633 8.594 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.253 11.809 8.618 1.00 0.45 C ATOM 902 CD2 LEU A 58 132.062 12.965 8.196 1.00 0.55 C ATOM 0 H LEU A 58 131.152 9.550 9.583 1.00 0.40 H new ATOM 0 HA LEU A 58 130.356 11.223 7.365 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.898 9.616 7.827 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.684 10.833 6.583 1.00 0.40 H new ATOM 0 HG LEU A 58 132.375 11.343 9.583 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.518 12.587 9.334 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.723 10.870 8.911 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.602 12.095 7.626 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.327 13.736 8.920 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.407 13.263 7.206 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.979 12.839 8.180 1.00 0.55 H new ATOM 914 N PHE A 59 130.658 7.971 6.887 1.00 0.36 N ATOM 915 CA PHE A 59 130.289 6.894 5.925 1.00 0.35 C ATOM 916 C PHE A 59 128.781 6.927 5.693 1.00 0.35 C ATOM 917 O PHE A 59 128.303 6.764 4.588 1.00 0.35 O ATOM 918 CB PHE A 59 130.686 5.529 6.492 1.00 0.34 C ATOM 919 CG PHE A 59 130.292 4.449 5.513 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.190 4.039 4.520 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.024 3.863 5.594 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.819 3.041 3.610 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.652 2.865 4.685 1.00 0.38 C ATOM 924 CZ PHE A 59 129.550 2.454 3.694 1.00 0.36 C ATOM 0 H PHE A 59 131.025 7.648 7.782 1.00 0.36 H new ATOM 0 HA PHE A 59 130.814 7.055 4.983 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.760 5.496 6.674 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.195 5.364 7.451 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.168 4.492 4.456 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.331 4.181 6.359 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.511 2.724 2.844 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.673 2.413 4.749 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.265 1.683 2.993 1.00 0.36 H new ATOM 934 N ARG A 60 128.027 7.120 6.740 1.00 0.37 N ATOM 935 CA ARG A 60 126.545 7.144 6.600 1.00 0.38 C ATOM 936 C ARG A 60 126.124 8.264 5.648 1.00 0.39 C ATOM 937 O ARG A 60 125.370 8.047 4.720 1.00 0.39 O ATOM 938 CB ARG A 60 125.922 7.401 7.985 1.00 0.42 C ATOM 939 CG ARG A 60 126.030 6.146 8.876 1.00 0.43 C ATOM 940 CD ARG A 60 124.831 5.224 8.640 1.00 0.50 C ATOM 941 NE ARG A 60 123.548 5.965 8.891 1.00 1.31 N ATOM 942 CZ ARG A 60 123.277 6.506 10.049 1.00 1.55 C ATOM 943 NH1 ARG A 60 124.044 6.290 11.082 1.00 1.16 N ATOM 944 NH2 ARG A 60 122.199 7.229 10.186 1.00 2.64 N ATOM 0 H ARG A 60 128.375 7.262 7.688 1.00 0.37 H new ATOM 0 HA ARG A 60 126.204 6.189 6.199 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.427 8.239 8.466 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.875 7.683 7.871 1.00 0.42 H new ATOM 0 HG2 ARG A 60 126.956 5.614 8.656 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.072 6.439 9.925 1.00 0.43 H new ATOM 0 HD2 ARG A 60 124.848 4.848 7.617 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.894 4.358 9.299 1.00 0.50 H new ATOM 0 HE ARG A 60 122.868 6.048 8.135 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.866 5.693 10.991 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.822 6.718 11.981 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.574 7.369 9.392 1.00 2.64 H new ATOM 0 HH22 ARG A 60 121.981 7.654 11.087 1.00 2.64 H new ATOM 958 N GLU A 61 126.594 9.461 5.870 1.00 0.41 N ATOM 959 CA GLU A 61 126.212 10.594 4.980 1.00 0.44 C ATOM 960 C GLU A 61 126.788 10.378 3.577 1.00 0.42 C ATOM 961 O GLU A 61 126.165 10.705 2.587 1.00 0.42 O ATOM 962 CB GLU A 61 126.774 11.893 5.558 1.00 0.48 C ATOM 963 CG GLU A 61 126.036 12.239 6.851 1.00 1.29 C ATOM 964 CD GLU A 61 126.632 13.512 7.453 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.614 13.995 6.912 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.100 13.982 8.445 1.00 2.32 O ATOM 0 H GLU A 61 127.228 9.704 6.631 1.00 0.41 H new ATOM 0 HA GLU A 61 125.125 10.650 4.916 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.841 11.784 5.754 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.663 12.702 4.836 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.974 12.382 6.649 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.118 11.416 7.560 1.00 1.29 H new ATOM 973 N TRP A 62 127.972 9.845 3.481 1.00 0.40 N ATOM 974 CA TRP A 62 128.577 9.632 2.133 1.00 0.38 C ATOM 975 C TRP A 62 127.745 8.641 1.314 1.00 0.36 C ATOM 976 O TRP A 62 127.443 8.875 0.163 1.00 0.36 O ATOM 977 CB TRP A 62 130.006 9.089 2.282 1.00 0.38 C ATOM 978 CG TRP A 62 130.533 8.684 0.936 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.077 9.524 0.024 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.553 7.357 0.332 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.433 8.796 -1.098 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.131 7.456 -0.958 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.132 6.089 0.774 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.283 6.334 -1.778 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.286 4.961 -0.049 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.860 5.084 -1.321 1.00 0.32 C ATOM 0 H TRP A 62 128.546 9.548 4.270 1.00 0.40 H new ATOM 0 HA TRP A 62 128.597 10.590 1.614 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.651 9.849 2.723 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.013 8.234 2.959 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.211 10.588 0.151 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.866 9.201 -1.928 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.688 5.982 1.753 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.725 6.433 -2.759 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.960 3.993 0.301 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.975 4.212 -1.948 1.00 0.32 H new ATOM 997 N LEU A 63 127.388 7.531 1.888 1.00 0.34 N ATOM 998 CA LEU A 63 126.597 6.528 1.123 1.00 0.32 C ATOM 999 C LEU A 63 125.209 7.093 0.813 1.00 0.33 C ATOM 1000 O LEU A 63 124.736 7.029 -0.304 1.00 0.32 O ATOM 1001 CB LEU A 63 126.457 5.250 1.964 1.00 0.31 C ATOM 1002 CG LEU A 63 125.781 4.136 1.142 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.766 3.542 0.123 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.302 3.031 2.087 1.00 0.32 C ATOM 0 H LEU A 63 127.607 7.273 2.850 1.00 0.34 H new ATOM 0 HA LEU A 63 127.106 6.298 0.187 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.440 4.918 2.299 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.869 5.458 2.858 1.00 0.31 H new ATOM 0 HG LEU A 63 124.934 4.561 0.603 1.00 0.31 H new ATOM 0 HD11 LEU A 63 126.270 2.757 -0.448 1.00 0.30 H new ATOM 0 HD12 LEU A 63 127.104 4.325 -0.555 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.624 3.122 0.648 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.823 2.241 1.509 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.154 2.620 2.628 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.587 3.445 2.798 1.00 0.32 H new ATOM 1016 N LYS A 64 124.558 7.649 1.791 1.00 0.35 N ATOM 1017 CA LYS A 64 123.204 8.224 1.559 1.00 0.37 C ATOM 1018 C LYS A 64 123.292 9.379 0.563 1.00 0.39 C ATOM 1019 O LYS A 64 122.536 9.461 -0.385 1.00 0.39 O ATOM 1020 CB LYS A 64 122.622 8.725 2.882 1.00 0.41 C ATOM 1021 CG LYS A 64 121.221 9.299 2.645 1.00 0.43 C ATOM 1022 CD LYS A 64 120.625 9.741 3.979 1.00 0.68 C ATOM 1023 CE LYS A 64 119.288 10.441 3.737 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.663 10.785 5.045 1.00 2.11 N ATOM 0 H LYS A 64 124.905 7.732 2.747 1.00 0.35 H new ATOM 0 HA LYS A 64 122.554 7.451 1.150 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.574 7.908 3.602 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.271 9.489 3.310 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.273 10.144 1.959 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.582 8.549 2.179 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.482 8.878 4.629 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.312 10.415 4.490 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.440 11.344 3.146 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.625 9.793 3.164 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.753 11.261 4.880 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.504 9.916 5.593 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.294 11.419 5.576 1.00 2.11 H new ATOM 1038 N ASP A 65 124.210 10.278 0.781 1.00 0.41 N ATOM 1039 CA ASP A 65 124.358 11.443 -0.135 1.00 0.45 C ATOM 1040 C ASP A 65 124.839 10.966 -1.503 1.00 0.43 C ATOM 1041 O ASP A 65 124.534 11.557 -2.520 1.00 0.46 O ATOM 1042 CB ASP A 65 125.380 12.424 0.444 1.00 0.49 C ATOM 1043 CG ASP A 65 125.290 13.754 -0.306 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.105 13.722 -1.511 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.417 14.783 0.338 1.00 1.42 O ATOM 0 H ASP A 65 124.869 10.256 1.560 1.00 0.41 H new ATOM 0 HA ASP A 65 123.393 11.939 -0.241 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.190 12.579 1.506 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.385 12.012 0.357 1.00 0.49 H new ATOM 1050 N THR A 66 125.621 9.922 -1.535 1.00 0.40 N ATOM 1051 CA THR A 66 126.159 9.431 -2.834 1.00 0.39 C ATOM 1052 C THR A 66 125.123 8.591 -3.586 1.00 0.39 C ATOM 1053 O THR A 66 125.104 8.605 -4.800 1.00 0.41 O ATOM 1054 CB THR A 66 127.414 8.591 -2.576 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.385 9.391 -1.914 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.993 8.097 -3.904 1.00 0.39 C ATOM 0 H THR A 66 125.911 9.387 -0.716 1.00 0.40 H new ATOM 0 HA THR A 66 126.405 10.294 -3.452 1.00 0.39 H new ATOM 0 HB THR A 66 127.151 7.734 -1.956 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.266 9.314 -0.944 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.885 7.501 -3.713 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.252 7.486 -4.419 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.255 8.952 -4.527 1.00 0.39 H new ATOM 1064 N CYS A 67 124.288 7.827 -2.911 1.00 0.37 N ATOM 1065 CA CYS A 67 123.300 6.961 -3.641 1.00 0.38 C ATOM 1066 C CYS A 67 121.875 7.157 -3.124 1.00 0.37 C ATOM 1067 O CYS A 67 120.916 6.933 -3.836 1.00 0.40 O ATOM 1068 CB CYS A 67 123.692 5.495 -3.444 1.00 0.37 C ATOM 1069 SG CYS A 67 123.534 5.056 -1.695 1.00 0.36 S ATOM 0 H CYS A 67 124.249 7.766 -1.894 1.00 0.37 H new ATOM 0 HA CYS A 67 123.321 7.241 -4.694 1.00 0.38 H new ATOM 0 HB2 CYS A 67 123.053 4.852 -4.050 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.717 5.334 -3.779 1.00 0.37 H new ATOM 0 HG CYS A 67 124.188 5.915 -0.971 1.00 0.36 H new ATOM 1075 N GLY A 68 121.719 7.553 -1.886 1.00 0.36 N ATOM 1076 CA GLY A 68 120.347 7.740 -1.317 1.00 0.36 C ATOM 1077 C GLY A 68 120.003 6.522 -0.456 1.00 0.34 C ATOM 1078 O GLY A 68 118.866 6.315 -0.082 1.00 0.34 O ATOM 0 H GLY A 68 122.484 7.756 -1.242 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.307 8.650 -0.718 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.618 7.854 -2.119 1.00 0.36 H new ATOM 1082 N ALA A 69 120.980 5.715 -0.139 1.00 0.33 N ATOM 1083 CA ALA A 69 120.712 4.511 0.698 1.00 0.32 C ATOM 1084 C ALA A 69 119.952 4.926 1.956 1.00 0.31 C ATOM 1085 O ALA A 69 120.057 6.047 2.413 1.00 0.32 O ATOM 1086 CB ALA A 69 122.037 3.856 1.094 1.00 0.32 C ATOM 0 H ALA A 69 121.952 5.838 -0.424 1.00 0.33 H new ATOM 0 HA ALA A 69 120.113 3.800 0.129 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.839 2.976 1.706 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.579 3.559 0.196 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.638 4.566 1.663 1.00 0.32 H new ATOM 1092 N ASN A 70 119.180 4.036 2.517 1.00 0.30 N ATOM 1093 CA ASN A 70 118.404 4.384 3.743 1.00 0.30 C ATOM 1094 C ASN A 70 119.207 4.004 4.987 1.00 0.30 C ATOM 1095 O ASN A 70 120.273 3.427 4.903 1.00 0.29 O ATOM 1096 CB ASN A 70 117.080 3.617 3.739 1.00 0.30 C ATOM 1097 CG ASN A 70 116.178 4.153 4.853 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.212 5.327 5.163 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.370 3.337 5.471 1.00 1.77 N ATOM 0 H ASN A 70 119.052 3.082 2.180 1.00 0.30 H new ATOM 0 HA ASN A 70 118.208 5.456 3.754 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.587 3.726 2.773 1.00 0.30 H new ATOM 0 HB3 ASN A 70 117.263 2.553 3.885 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.766 3.684 6.216 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.342 2.351 5.210 1.00 1.77 H new ATOM 1106 N ALA A 71 118.705 4.340 6.142 1.00 0.32 N ATOM 1107 CA ALA A 71 119.430 4.023 7.404 1.00 0.34 C ATOM 1108 C ALA A 71 119.634 2.512 7.547 1.00 0.32 C ATOM 1109 O ALA A 71 120.634 2.070 8.061 1.00 0.32 O ATOM 1110 CB ALA A 71 118.619 4.532 8.596 1.00 0.39 C ATOM 0 H ALA A 71 117.816 4.825 6.267 1.00 0.32 H new ATOM 0 HA ALA A 71 120.405 4.509 7.376 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.148 4.301 9.521 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.488 5.611 8.513 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.643 4.047 8.605 1.00 0.39 H new ATOM 1116 N LYS A 72 118.703 1.712 7.112 1.00 0.30 N ATOM 1117 CA LYS A 72 118.890 0.239 7.263 1.00 0.29 C ATOM 1118 C LYS A 72 119.934 -0.270 6.266 1.00 0.27 C ATOM 1119 O LYS A 72 120.737 -1.127 6.579 1.00 0.27 O ATOM 1120 CB LYS A 72 117.558 -0.485 7.052 1.00 0.29 C ATOM 1121 CG LYS A 72 117.084 -0.297 5.613 1.00 1.18 C ATOM 1122 CD LYS A 72 115.654 -0.821 5.478 1.00 1.29 C ATOM 1123 CE LYS A 72 115.247 -0.822 4.004 1.00 2.11 C ATOM 1124 NZ LYS A 72 115.086 0.582 3.534 1.00 2.58 N ATOM 0 H LYS A 72 117.834 2.005 6.665 1.00 0.30 H new ATOM 0 HA LYS A 72 119.245 0.033 8.273 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.673 -1.547 7.270 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.810 -0.097 7.744 1.00 0.29 H new ATOM 0 HG2 LYS A 72 117.124 0.757 5.340 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.744 -0.829 4.928 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.585 -1.830 5.886 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.971 -0.197 6.054 1.00 1.29 H new ATOM 0 HE2 LYS A 72 116.003 -1.332 3.407 1.00 2.11 H new ATOM 0 HE3 LYS A 72 114.314 -1.370 3.873 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 114.744 0.582 2.552 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.399 1.074 4.140 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 116.003 1.071 3.581 1.00 2.58 H new ATOM 1138 N GLN A 73 119.924 0.235 5.062 1.00 0.26 N ATOM 1139 CA GLN A 73 120.905 -0.236 4.042 1.00 0.25 C ATOM 1140 C GLN A 73 122.324 0.182 4.423 1.00 0.25 C ATOM 1141 O GLN A 73 123.269 -0.560 4.241 1.00 0.25 O ATOM 1142 CB GLN A 73 120.562 0.372 2.676 1.00 0.26 C ATOM 1143 CG GLN A 73 119.259 -0.226 2.138 1.00 0.29 C ATOM 1144 CD GLN A 73 119.451 -1.716 1.844 1.00 1.24 C ATOM 1145 OE1 GLN A 73 120.433 -2.109 1.247 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.540 -2.567 2.235 1.00 1.88 N ATOM 0 H GLN A 73 119.277 0.955 4.740 1.00 0.26 H new ATOM 0 HA GLN A 73 120.852 -1.324 3.995 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.463 1.454 2.767 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.373 0.184 1.973 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.459 -0.090 2.866 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.957 0.296 1.230 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.715 -2.237 2.736 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.653 -3.562 2.039 1.00 1.88 H new ATOM 1155 N SER A 74 122.488 1.371 4.928 1.00 0.26 N ATOM 1156 CA SER A 74 123.852 1.837 5.291 1.00 0.27 C ATOM 1157 C SER A 74 124.383 1.056 6.497 1.00 0.26 C ATOM 1158 O SER A 74 125.553 0.734 6.563 1.00 0.26 O ATOM 1159 CB SER A 74 123.811 3.325 5.622 1.00 0.30 C ATOM 1160 OG SER A 74 123.106 4.014 4.596 1.00 1.36 O ATOM 0 H SER A 74 121.738 2.039 5.105 1.00 0.26 H new ATOM 0 HA SER A 74 124.518 1.667 4.445 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.323 3.482 6.584 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.824 3.718 5.711 1.00 0.30 H new ATOM 0 HG SER A 74 122.142 3.908 4.734 1.00 1.36 H new ATOM 1166 N ARG A 75 123.545 0.744 7.454 1.00 0.27 N ATOM 1167 CA ARG A 75 124.034 -0.017 8.637 1.00 0.28 C ATOM 1168 C ARG A 75 124.599 -1.359 8.181 1.00 0.26 C ATOM 1169 O ARG A 75 125.568 -1.844 8.732 1.00 0.27 O ATOM 1170 CB ARG A 75 122.895 -0.233 9.634 1.00 0.30 C ATOM 1171 CG ARG A 75 122.552 1.102 10.306 1.00 0.33 C ATOM 1172 CD ARG A 75 121.324 0.930 11.208 1.00 0.61 C ATOM 1173 NE ARG A 75 120.677 2.262 11.449 1.00 1.34 N ATOM 1174 CZ ARG A 75 121.358 3.285 11.900 1.00 1.81 C ATOM 1175 NH1 ARG A 75 122.575 3.132 12.340 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.791 4.459 11.964 1.00 2.80 N ATOM 0 H ARG A 75 122.553 0.982 7.465 1.00 0.27 H new ATOM 0 HA ARG A 75 124.821 0.553 9.131 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.019 -0.632 9.123 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.187 -0.967 10.385 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.400 1.452 10.894 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.355 1.861 9.549 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.612 0.249 10.742 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.619 0.482 12.157 1.00 0.61 H new ATOM 0 HE ARG A 75 119.682 2.373 11.257 1.00 1.34 H new ATOM 0 HH11 ARG A 75 123.007 2.208 12.335 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.096 3.936 12.689 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.823 4.575 11.664 1.00 2.80 H new ATOM 0 HH22 ARG A 75 121.316 5.260 12.314 1.00 2.80 H new ATOM 1190 N ASP A 76 124.003 -1.988 7.203 1.00 0.25 N ATOM 1191 CA ASP A 76 124.507 -3.312 6.747 1.00 0.24 C ATOM 1192 C ASP A 76 125.867 -3.161 6.067 1.00 0.23 C ATOM 1193 O ASP A 76 126.750 -3.976 6.256 1.00 0.23 O ATOM 1194 CB ASP A 76 123.510 -3.923 5.761 1.00 0.24 C ATOM 1195 CG ASP A 76 122.238 -4.332 6.508 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.309 -4.485 7.716 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.217 -4.485 5.858 1.00 0.39 O ATOM 0 H ASP A 76 123.187 -1.639 6.700 1.00 0.25 H new ATOM 0 HA ASP A 76 124.618 -3.964 7.614 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.269 -3.204 4.978 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.952 -4.791 5.271 1.00 0.24 H new ATOM 1202 N CYS A 77 126.060 -2.138 5.282 1.00 0.22 N ATOM 1203 CA CYS A 77 127.378 -1.967 4.611 1.00 0.22 C ATOM 1204 C CYS A 77 128.445 -1.607 5.648 1.00 0.22 C ATOM 1205 O CYS A 77 129.564 -2.069 5.576 1.00 0.21 O ATOM 1206 CB CYS A 77 127.276 -0.844 3.578 1.00 0.23 C ATOM 1207 SG CYS A 77 126.244 -1.387 2.194 1.00 0.24 S ATOM 0 H CYS A 77 125.367 -1.418 5.077 1.00 0.22 H new ATOM 0 HA CYS A 77 127.656 -2.898 4.118 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.848 0.048 4.036 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.269 -0.573 3.220 1.00 0.23 H new ATOM 0 HG CYS A 77 126.375 -2.670 2.033 1.00 0.24 H new ATOM 1213 N PHE A 78 128.129 -0.777 6.601 1.00 0.23 N ATOM 1214 CA PHE A 78 129.163 -0.401 7.604 1.00 0.25 C ATOM 1215 C PHE A 78 129.664 -1.651 8.327 1.00 0.24 C ATOM 1216 O PHE A 78 130.835 -1.972 8.296 1.00 0.23 O ATOM 1217 CB PHE A 78 128.547 0.567 8.619 1.00 0.29 C ATOM 1218 CG PHE A 78 129.545 0.862 9.713 1.00 0.32 C ATOM 1219 CD1 PHE A 78 129.584 0.057 10.857 1.00 0.38 C ATOM 1220 CD2 PHE A 78 130.431 1.938 9.584 1.00 0.36 C ATOM 1221 CE1 PHE A 78 130.508 0.326 11.872 1.00 0.43 C ATOM 1222 CE2 PHE A 78 131.357 2.207 10.600 1.00 0.41 C ATOM 1223 CZ PHE A 78 131.396 1.400 11.744 1.00 0.43 C ATOM 0 H PHE A 78 127.213 -0.347 6.729 1.00 0.23 H new ATOM 0 HA PHE A 78 130.002 0.078 7.100 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.254 1.492 8.122 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.642 0.134 9.046 1.00 0.29 H new ATOM 0 HD1 PHE A 78 128.900 -0.773 10.956 1.00 0.38 H new ATOM 0 HD2 PHE A 78 130.401 2.560 8.702 1.00 0.36 H new ATOM 0 HE1 PHE A 78 130.536 -0.295 12.755 1.00 0.43 H new ATOM 0 HE2 PHE A 78 132.041 3.037 10.501 1.00 0.41 H new ATOM 0 HZ PHE A 78 132.111 1.606 12.527 1.00 0.43 H new ATOM 1233 N GLY A 79 128.786 -2.350 8.990 1.00 0.25 N ATOM 1234 CA GLY A 79 129.201 -3.573 9.734 1.00 0.26 C ATOM 1235 C GLY A 79 129.744 -4.638 8.773 1.00 0.24 C ATOM 1236 O GLY A 79 130.627 -5.398 9.112 1.00 0.24 O ATOM 0 H GLY A 79 127.793 -2.126 9.049 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.965 -3.316 10.468 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.351 -3.974 10.286 1.00 0.26 H new ATOM 1240 N CYS A 80 129.223 -4.705 7.579 1.00 0.22 N ATOM 1241 CA CYS A 80 129.718 -5.733 6.614 1.00 0.22 C ATOM 1242 C CYS A 80 131.129 -5.379 6.142 1.00 0.22 C ATOM 1243 O CYS A 80 132.022 -6.202 6.164 1.00 0.23 O ATOM 1244 CB CYS A 80 128.782 -5.800 5.409 1.00 0.22 C ATOM 1245 SG CYS A 80 129.372 -7.076 4.267 1.00 0.25 S ATOM 0 H CYS A 80 128.481 -4.098 7.229 1.00 0.22 H new ATOM 0 HA CYS A 80 129.742 -6.701 7.114 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.767 -6.027 5.734 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.747 -4.833 4.907 1.00 0.22 H new ATOM 0 HG CYS A 80 128.982 -8.244 4.683 1.00 0.25 H new ATOM 1251 N LEU A 81 131.346 -4.161 5.736 1.00 0.21 N ATOM 1252 CA LEU A 81 132.716 -3.781 5.293 1.00 0.21 C ATOM 1253 C LEU A 81 133.625 -3.750 6.525 1.00 0.22 C ATOM 1254 O LEU A 81 134.764 -4.170 6.482 1.00 0.22 O ATOM 1255 CB LEU A 81 132.685 -2.395 4.636 1.00 0.22 C ATOM 1256 CG LEU A 81 131.753 -2.403 3.414 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.654 -0.982 2.851 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.302 -3.346 2.330 1.00 0.28 C ATOM 0 H LEU A 81 130.646 -3.421 5.691 1.00 0.21 H new ATOM 0 HA LEU A 81 133.090 -4.502 4.566 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.344 -1.651 5.356 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.691 -2.107 4.332 1.00 0.22 H new ATOM 0 HG LEU A 81 130.767 -2.754 3.718 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.994 -0.980 1.983 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.252 -0.315 3.614 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.645 -0.638 2.554 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.632 -3.342 1.470 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.291 -3.008 2.021 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.373 -4.358 2.730 1.00 0.28 H new ATOM 1270 N ARG A 82 133.126 -3.254 7.625 1.00 0.22 N ATOM 1271 CA ARG A 82 133.953 -3.193 8.864 1.00 0.24 C ATOM 1272 C ARG A 82 134.360 -4.606 9.298 1.00 0.25 C ATOM 1273 O ARG A 82 135.473 -4.832 9.731 1.00 0.26 O ATOM 1274 CB ARG A 82 133.140 -2.527 9.978 1.00 0.28 C ATOM 1275 CG ARG A 82 133.994 -2.392 11.243 1.00 0.33 C ATOM 1276 CD ARG A 82 133.169 -1.697 12.329 1.00 0.84 C ATOM 1277 NE ARG A 82 133.981 -1.550 13.585 1.00 1.41 N ATOM 1278 CZ ARG A 82 134.443 -2.586 14.234 1.00 1.95 C ATOM 1279 NH1 ARG A 82 134.116 -3.795 13.870 1.00 2.25 N ATOM 1280 NH2 ARG A 82 135.203 -2.409 15.279 1.00 2.73 N ATOM 0 H ARG A 82 132.179 -2.888 7.719 1.00 0.22 H new ATOM 0 HA ARG A 82 134.855 -2.613 8.667 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.800 -1.544 9.653 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.249 -3.118 10.192 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.316 -3.375 11.586 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.895 -1.818 11.029 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.847 -0.716 11.979 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.267 -2.274 12.536 1.00 0.84 H new ATOM 0 HE ARG A 82 134.177 -0.615 13.941 1.00 1.41 H new ATOM 0 HH11 ARG A 82 133.495 -3.937 13.073 1.00 2.25 H new ATOM 0 HH12 ARG A 82 134.481 -4.598 14.382 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.435 -1.465 15.587 1.00 2.73 H new ATOM 0 HH22 ARG A 82 135.566 -3.215 15.788 1.00 2.73 H new ATOM 1294 N GLU A 83 133.471 -5.557 9.193 1.00 0.25 N ATOM 1295 CA GLU A 83 133.817 -6.949 9.606 1.00 0.28 C ATOM 1296 C GLU A 83 134.817 -7.577 8.631 1.00 0.27 C ATOM 1297 O GLU A 83 135.718 -8.280 9.043 1.00 0.29 O ATOM 1298 CB GLU A 83 132.549 -7.815 9.689 1.00 0.30 C ATOM 1299 CG GLU A 83 131.789 -7.495 10.982 1.00 0.33 C ATOM 1300 CD GLU A 83 130.528 -8.356 11.063 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.205 -8.994 10.075 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.908 -8.365 12.115 1.00 1.56 O ATOM 0 H GLU A 83 132.522 -5.431 8.840 1.00 0.25 H new ATOM 0 HA GLU A 83 134.280 -6.902 10.592 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.911 -7.627 8.825 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.816 -8.871 9.665 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.426 -7.683 11.846 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.522 -6.438 11.007 1.00 0.33 H new ATOM 1309 N TRP A 84 134.702 -7.333 7.348 1.00 0.25 N ATOM 1310 CA TRP A 84 135.688 -7.929 6.401 1.00 0.25 C ATOM 1311 C TRP A 84 137.079 -7.417 6.766 1.00 0.27 C ATOM 1312 O TRP A 84 138.049 -8.149 6.758 1.00 0.28 O ATOM 1313 CB TRP A 84 135.363 -7.513 4.962 1.00 0.25 C ATOM 1314 CG TRP A 84 136.332 -8.175 4.032 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.136 -9.379 3.445 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.640 -7.710 3.580 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.235 -9.682 2.663 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.188 -8.687 2.714 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.395 -6.551 3.833 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.439 -8.523 2.120 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.657 -6.380 3.236 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.178 -7.365 2.382 1.00 0.37 C ATOM 0 H TRP A 84 133.978 -6.755 6.922 1.00 0.25 H new ATOM 0 HA TRP A 84 135.647 -9.016 6.471 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.342 -7.800 4.709 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.424 -6.429 4.860 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.262 -10.002 3.568 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.329 -10.537 2.115 1.00 0.33 H new ATOM 0 HE3 TRP A 84 138.004 -5.788 4.489 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.834 -9.284 1.463 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.229 -5.486 3.436 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.148 -7.229 1.928 1.00 0.37 H new ATOM 1333 N CYS A 85 137.182 -6.151 7.068 1.00 0.27 N ATOM 1334 CA CYS A 85 138.510 -5.575 7.410 1.00 0.30 C ATOM 1335 C CYS A 85 139.078 -6.256 8.656 1.00 0.33 C ATOM 1336 O CYS A 85 140.256 -6.539 8.737 1.00 0.36 O ATOM 1337 CB CYS A 85 138.358 -4.076 7.684 1.00 0.33 C ATOM 1338 SG CYS A 85 137.992 -3.213 6.138 1.00 0.33 S ATOM 0 H CYS A 85 136.403 -5.493 7.092 1.00 0.27 H new ATOM 0 HA CYS A 85 139.190 -5.735 6.573 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.558 -3.907 8.405 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.274 -3.682 8.125 1.00 0.33 H new ATOM 0 HG CYS A 85 136.724 -3.320 5.871 1.00 0.33 H new ATOM 1344 N ASP A 86 138.254 -6.520 9.629 1.00 0.34 N ATOM 1345 CA ASP A 86 138.755 -7.178 10.868 1.00 0.39 C ATOM 1346 C ASP A 86 139.362 -8.539 10.526 1.00 0.41 C ATOM 1347 O ASP A 86 140.249 -9.019 11.202 1.00 0.43 O ATOM 1348 CB ASP A 86 137.600 -7.367 11.855 1.00 0.41 C ATOM 1349 CG ASP A 86 137.168 -6.004 12.401 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.957 -5.079 12.317 1.00 0.55 O ATOM 1351 OD2 ASP A 86 136.057 -5.912 12.897 1.00 0.51 O ATOM 0 H ASP A 86 137.256 -6.309 9.621 1.00 0.34 H new ATOM 0 HA ASP A 86 139.520 -6.547 11.321 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.761 -7.855 11.360 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.909 -8.017 12.673 1.00 0.41 H new ATOM 1356 N ALA A 87 138.879 -9.175 9.492 1.00 0.41 N ATOM 1357 CA ALA A 87 139.418 -10.519 9.122 1.00 0.43 C ATOM 1358 C ALA A 87 140.554 -10.388 8.102 1.00 0.43 C ATOM 1359 O ALA A 87 141.482 -11.173 8.103 1.00 0.48 O ATOM 1360 CB ALA A 87 138.293 -11.358 8.512 1.00 0.41 C ATOM 0 H ALA A 87 138.136 -8.824 8.888 1.00 0.41 H new ATOM 0 HA ALA A 87 139.808 -10.999 10.020 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.679 -12.340 8.239 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.489 -11.473 9.239 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.909 -10.859 7.622 1.00 0.41 H new ATOM 1366 N PHE A 88 140.467 -9.436 7.203 1.00 0.40 N ATOM 1367 CA PHE A 88 141.520 -9.292 6.140 1.00 0.44 C ATOM 1368 C PHE A 88 142.400 -8.053 6.352 1.00 0.54 C ATOM 1369 O PHE A 88 143.336 -7.840 5.606 1.00 1.24 O ATOM 1370 CB PHE A 88 140.832 -9.161 4.780 1.00 0.41 C ATOM 1371 CG PHE A 88 140.192 -10.474 4.398 1.00 0.39 C ATOM 1372 CD1 PHE A 88 138.869 -10.744 4.772 1.00 0.35 C ATOM 1373 CD2 PHE A 88 140.918 -11.420 3.667 1.00 0.44 C ATOM 1374 CE1 PHE A 88 138.274 -11.959 4.412 1.00 0.40 C ATOM 1375 CE2 PHE A 88 140.324 -12.634 3.309 1.00 0.47 C ATOM 1376 CZ PHE A 88 139.002 -12.904 3.680 1.00 0.45 C ATOM 0 H PHE A 88 139.713 -8.751 7.157 1.00 0.40 H new ATOM 0 HA PHE A 88 142.158 -10.174 6.188 1.00 0.44 H new ATOM 0 HB2 PHE A 88 140.077 -8.376 4.819 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.558 -8.867 4.022 1.00 0.41 H new ATOM 0 HD1 PHE A 88 138.308 -10.015 5.338 1.00 0.35 H new ATOM 0 HD2 PHE A 88 141.938 -11.213 3.379 1.00 0.44 H new ATOM 0 HE1 PHE A 88 137.254 -12.167 4.699 1.00 0.40 H new ATOM 0 HE2 PHE A 88 140.886 -13.364 2.746 1.00 0.47 H new ATOM 0 HZ PHE A 88 138.544 -13.841 3.402 1.00 0.45 H new ATOM 1386 N LEU A 89 142.131 -7.229 7.339 1.00 0.39 N ATOM 1387 CA LEU A 89 142.986 -6.010 7.546 1.00 0.36 C ATOM 1388 C LEU A 89 143.973 -6.273 8.689 1.00 0.87 C ATOM 1389 O LEU A 89 144.036 -5.454 9.591 1.00 1.43 O ATOM 1390 CB LEU A 89 142.091 -4.809 7.893 1.00 0.74 C ATOM 1391 CG LEU A 89 142.820 -3.487 7.576 1.00 0.47 C ATOM 1392 CD1 LEU A 89 142.812 -3.214 6.055 1.00 1.00 C ATOM 1393 CD2 LEU A 89 142.114 -2.330 8.298 1.00 1.28 C ATOM 1394 OXT LEU A 89 144.646 -7.289 8.642 1.00 1.66 O ATOM 0 H LEU A 89 141.366 -7.344 8.004 1.00 0.39 H new ATOM 0 HA LEU A 89 143.541 -5.790 6.634 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.161 -4.864 7.326 1.00 0.74 H new ATOM 0 HB3 LEU A 89 141.823 -4.840 8.949 1.00 0.74 H new ATOM 0 HG LEU A 89 143.853 -3.567 7.916 1.00 0.47 H new ATOM 0 HD11 LEU A 89 143.331 -2.277 5.851 1.00 1.00 H new ATOM 0 HD12 LEU A 89 143.317 -4.029 5.536 1.00 1.00 H new ATOM 0 HD13 LEU A 89 141.783 -3.143 5.704 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.628 -1.395 8.075 1.00 1.28 H new ATOM 0 HD22 LEU A 89 141.080 -2.266 7.958 1.00 1.28 H new ATOM 0 HD23 LEU A 89 142.132 -2.507 9.373 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 165.483 -1.412 -7.651 1.00 3.74 N ATOM 1408 CA MET B 1 164.386 -0.921 -6.770 1.00 3.26 C ATOM 1409 C MET B 1 164.245 -1.851 -5.563 1.00 2.28 C ATOM 1410 O MET B 1 163.171 -2.337 -5.265 1.00 2.68 O ATOM 1411 CB MET B 1 163.072 -0.899 -7.554 1.00 3.75 C ATOM 1412 CG MET B 1 162.862 -2.251 -8.237 1.00 4.33 C ATOM 1413 SD MET B 1 161.308 -2.223 -9.164 1.00 5.04 S ATOM 1414 CE MET B 1 161.479 -3.849 -9.941 1.00 5.66 C ATOM 0 H1 MET B 1 165.349 -1.039 -8.613 1.00 3.74 H new ATOM 0 H2 MET B 1 166.399 -1.088 -7.279 1.00 3.74 H new ATOM 0 H3 MET B 1 165.468 -2.452 -7.678 1.00 3.74 H new ATOM 0 HA MET B 1 164.620 0.087 -6.426 1.00 3.26 H new ATOM 0 HB2 MET B 1 162.240 -0.685 -6.883 1.00 3.75 H new ATOM 0 HB3 MET B 1 163.094 -0.103 -8.298 1.00 3.75 H new ATOM 0 HG2 MET B 1 163.694 -2.465 -8.908 1.00 4.33 H new ATOM 0 HG3 MET B 1 162.840 -3.047 -7.493 1.00 4.33 H new ATOM 0 HE1 MET B 1 160.612 -4.044 -10.572 1.00 5.66 H new ATOM 0 HE2 MET B 1 162.383 -3.868 -10.550 1.00 5.66 H new ATOM 0 HE3 MET B 1 161.545 -4.616 -9.169 1.00 5.66 H new ATOM 1426 N THR B 2 165.319 -2.107 -4.868 1.00 1.63 N ATOM 1427 CA THR B 2 165.242 -3.009 -3.683 1.00 1.44 C ATOM 1428 C THR B 2 164.611 -2.258 -2.506 1.00 1.17 C ATOM 1429 O THR B 2 165.064 -1.199 -2.118 1.00 1.22 O ATOM 1430 CB THR B 2 166.652 -3.468 -3.306 1.00 2.22 C ATOM 1431 OG1 THR B 2 167.224 -4.173 -4.399 1.00 2.78 O ATOM 1432 CG2 THR B 2 166.586 -4.384 -2.083 1.00 3.02 C ATOM 0 H THR B 2 166.246 -1.731 -5.069 1.00 1.63 H new ATOM 0 HA THR B 2 164.629 -3.878 -3.923 1.00 1.44 H new ATOM 0 HB THR B 2 167.266 -2.599 -3.070 1.00 2.22 H new ATOM 0 HG1 THR B 2 168.128 -4.467 -4.161 1.00 2.78 H new ATOM 0 HG21 THR B 2 167.592 -4.709 -1.817 1.00 3.02 H new ATOM 0 HG22 THR B 2 166.147 -3.842 -1.246 1.00 3.02 H new ATOM 0 HG23 THR B 2 165.972 -5.255 -2.313 1.00 3.02 H new ATOM 1440 N THR B 3 163.564 -2.799 -1.938 1.00 0.96 N ATOM 1441 CA THR B 3 162.892 -2.125 -0.786 1.00 0.76 C ATOM 1442 C THR B 3 163.473 -2.637 0.535 1.00 0.69 C ATOM 1443 O THR B 3 164.220 -3.595 0.569 1.00 0.75 O ATOM 1444 CB THR B 3 161.391 -2.422 -0.831 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.184 -3.824 -0.749 1.00 0.80 O ATOM 1446 CG2 THR B 3 160.803 -1.890 -2.141 1.00 0.76 C ATOM 0 H THR B 3 163.143 -3.683 -2.224 1.00 0.96 H new ATOM 0 HA THR B 3 163.058 -1.050 -0.854 1.00 0.76 H new ATOM 0 HB THR B 3 160.898 -1.934 0.010 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.461 -4.084 -1.357 1.00 0.80 H new ATOM 0 HG21 THR B 3 159.734 -2.102 -2.173 1.00 0.76 H new ATOM 0 HG22 THR B 3 160.962 -0.813 -2.200 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.294 -2.376 -2.984 1.00 0.76 H new ATOM 1454 N SER B 4 163.130 -2.000 1.623 1.00 0.63 N ATOM 1455 CA SER B 4 163.652 -2.433 2.952 1.00 0.62 C ATOM 1456 C SER B 4 162.847 -3.632 3.460 1.00 0.60 C ATOM 1457 O SER B 4 161.831 -4.002 2.903 1.00 0.58 O ATOM 1458 CB SER B 4 163.522 -1.277 3.944 1.00 0.63 C ATOM 1459 OG SER B 4 163.747 -1.761 5.262 1.00 1.50 O ATOM 0 H SER B 4 162.507 -1.193 1.648 1.00 0.63 H new ATOM 0 HA SER B 4 164.699 -2.720 2.854 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.241 -0.494 3.704 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.530 -0.831 3.872 1.00 0.63 H new ATOM 0 HG SER B 4 163.666 -1.022 5.900 1.00 1.50 H new ATOM 1465 N GLN B 5 163.313 -4.246 4.517 1.00 0.63 N ATOM 1466 CA GLN B 5 162.613 -5.435 5.085 1.00 0.64 C ATOM 1467 C GLN B 5 161.158 -5.086 5.400 1.00 0.60 C ATOM 1468 O GLN B 5 160.315 -5.953 5.515 1.00 0.60 O ATOM 1469 CB GLN B 5 163.316 -5.869 6.372 1.00 0.71 C ATOM 1470 CG GLN B 5 164.684 -6.466 6.034 1.00 1.34 C ATOM 1471 CD GLN B 5 165.420 -6.825 7.326 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.127 -6.286 8.375 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.369 -7.720 7.296 1.00 2.18 N ATOM 0 H GLN B 5 164.159 -3.970 5.016 1.00 0.63 H new ATOM 0 HA GLN B 5 162.638 -6.245 4.356 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.435 -5.015 7.039 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.708 -6.603 6.900 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.561 -7.354 5.414 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.271 -5.752 5.455 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.615 -8.173 6.416 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.864 -7.967 8.153 1.00 2.18 H new ATOM 1482 N LYS B 6 160.854 -3.826 5.544 1.00 0.59 N ATOM 1483 CA LYS B 6 159.453 -3.434 5.855 1.00 0.57 C ATOM 1484 C LYS B 6 158.532 -3.915 4.733 1.00 0.51 C ATOM 1485 O LYS B 6 157.414 -4.325 4.972 1.00 0.50 O ATOM 1486 CB LYS B 6 159.355 -1.905 5.971 1.00 0.58 C ATOM 1487 CG LYS B 6 160.074 -1.412 7.242 1.00 0.66 C ATOM 1488 CD LYS B 6 159.142 -1.501 8.468 1.00 0.80 C ATOM 1489 CE LYS B 6 158.192 -0.293 8.515 1.00 1.25 C ATOM 1490 NZ LYS B 6 157.572 -0.209 9.868 1.00 2.01 N ATOM 0 H LYS B 6 161.514 -3.053 5.460 1.00 0.59 H new ATOM 0 HA LYS B 6 159.153 -3.888 6.799 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.799 -1.439 5.091 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.308 -1.603 5.998 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.968 -2.011 7.415 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.402 -0.382 7.103 1.00 0.66 H new ATOM 0 HD2 LYS B 6 158.564 -2.424 8.425 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.736 -1.539 9.381 1.00 0.80 H new ATOM 0 HE2 LYS B 6 158.739 0.624 8.295 1.00 1.25 H new ATOM 0 HE3 LYS B 6 157.419 -0.393 7.753 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 156.928 0.607 9.905 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 157.038 -1.080 10.060 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 158.317 -0.095 10.585 1.00 2.01 H new ATOM 1504 N HIS B 7 158.980 -3.857 3.508 1.00 0.49 N ATOM 1505 CA HIS B 7 158.107 -4.299 2.385 1.00 0.45 C ATOM 1506 C HIS B 7 157.715 -5.771 2.555 1.00 0.45 C ATOM 1507 O HIS B 7 156.554 -6.119 2.472 1.00 0.43 O ATOM 1508 CB HIS B 7 158.849 -4.103 1.055 1.00 0.45 C ATOM 1509 CG HIS B 7 158.106 -4.791 -0.063 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.387 -4.093 -1.025 1.00 0.39 N ATOM 1511 CD2 HIS B 7 157.963 -6.120 -0.382 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.851 -4.999 -1.868 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.175 -6.244 -1.517 1.00 0.42 N ATOM 0 H HIS B 7 159.906 -3.525 3.238 1.00 0.49 H new ATOM 0 HA HIS B 7 157.197 -3.699 2.386 1.00 0.45 H new ATOM 0 HB2 HIS B 7 158.945 -3.039 0.837 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.859 -4.505 1.131 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.398 -6.942 0.167 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.237 -4.748 -2.720 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.901 -7.108 -1.985 1.00 0.42 H new ATOM 1521 N ARG B 8 158.667 -6.647 2.792 1.00 0.48 N ATOM 1522 CA ARG B 8 158.340 -8.093 2.962 1.00 0.50 C ATOM 1523 C ARG B 8 157.598 -8.300 4.277 1.00 0.51 C ATOM 1524 O ARG B 8 156.724 -9.135 4.384 1.00 0.51 O ATOM 1525 CB ARG B 8 159.636 -8.913 2.990 1.00 0.55 C ATOM 1526 CG ARG B 8 160.298 -8.937 1.601 1.00 0.57 C ATOM 1527 CD ARG B 8 159.581 -9.916 0.654 1.00 1.00 C ATOM 1528 NE ARG B 8 159.313 -11.224 1.344 1.00 1.70 N ATOM 1529 CZ ARG B 8 160.273 -11.924 1.890 1.00 2.29 C ATOM 1530 NH1 ARG B 8 161.522 -11.598 1.706 1.00 2.43 N ATOM 1531 NH2 ARG B 8 159.979 -12.991 2.583 1.00 3.23 N ATOM 0 H ARG B 8 159.657 -6.417 2.874 1.00 0.48 H new ATOM 0 HA ARG B 8 157.714 -8.417 2.130 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.325 -8.487 3.719 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.420 -9.932 3.313 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.282 -7.935 1.171 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.345 -9.225 1.700 1.00 0.57 H new ATOM 0 HD2 ARG B 8 158.642 -9.479 0.315 1.00 1.00 H new ATOM 0 HD3 ARG B 8 160.192 -10.086 -0.232 1.00 1.00 H new ATOM 0 HE ARG B 8 158.356 -11.575 1.388 1.00 1.70 H new ATOM 0 HH11 ARG B 8 161.759 -10.789 1.131 1.00 2.43 H new ATOM 0 HH12 ARG B 8 162.262 -12.152 2.137 1.00 2.43 H new ATOM 0 HH21 ARG B 8 159.005 -13.274 2.696 1.00 3.23 H new ATOM 0 HH22 ARG B 8 160.723 -13.542 3.012 1.00 3.23 H new ATOM 1545 N ASP B 9 157.944 -7.550 5.278 1.00 0.52 N ATOM 1546 CA ASP B 9 157.266 -7.707 6.591 1.00 0.54 C ATOM 1547 C ASP B 9 155.813 -7.254 6.465 1.00 0.49 C ATOM 1548 O ASP B 9 154.913 -7.847 7.026 1.00 0.48 O ATOM 1549 CB ASP B 9 157.976 -6.857 7.644 1.00 0.61 C ATOM 1550 CG ASP B 9 159.346 -7.463 7.948 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.519 -8.644 7.696 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.202 -6.735 8.426 1.00 0.76 O ATOM 0 H ASP B 9 158.668 -6.833 5.246 1.00 0.52 H new ATOM 0 HA ASP B 9 157.299 -8.754 6.894 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.090 -5.834 7.285 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.377 -6.810 8.554 1.00 0.61 H new ATOM 1557 N PHE B 10 155.582 -6.193 5.746 1.00 0.46 N ATOM 1558 CA PHE B 10 154.191 -5.685 5.599 1.00 0.43 C ATOM 1559 C PHE B 10 153.323 -6.726 4.872 1.00 0.37 C ATOM 1560 O PHE B 10 152.234 -7.049 5.308 1.00 0.36 O ATOM 1561 CB PHE B 10 154.218 -4.382 4.797 1.00 0.45 C ATOM 1562 CG PHE B 10 152.864 -3.723 4.863 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.577 -2.839 5.910 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.898 -3.987 3.885 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.324 -2.220 5.981 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.645 -3.366 3.955 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.357 -2.484 5.004 1.00 0.43 C ATOM 0 H PHE B 10 156.296 -5.656 5.254 1.00 0.46 H new ATOM 0 HA PHE B 10 153.765 -5.502 6.585 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.980 -3.713 5.196 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.485 -4.586 3.760 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.323 -2.635 6.663 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.119 -4.669 3.077 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.103 -1.539 6.789 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.900 -3.567 3.199 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.389 -2.008 5.059 1.00 0.43 H new ATOM 1577 N VAL B 11 153.786 -7.246 3.765 1.00 0.37 N ATOM 1578 CA VAL B 11 152.981 -8.256 3.008 1.00 0.35 C ATOM 1579 C VAL B 11 153.182 -9.661 3.593 1.00 0.36 C ATOM 1580 O VAL B 11 152.735 -10.640 3.029 1.00 0.37 O ATOM 1581 CB VAL B 11 153.421 -8.255 1.541 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.260 -6.849 0.955 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.888 -8.678 1.456 1.00 0.40 C ATOM 0 H VAL B 11 154.689 -7.015 3.350 1.00 0.37 H new ATOM 0 HA VAL B 11 151.927 -7.991 3.086 1.00 0.35 H new ATOM 0 HB VAL B 11 152.804 -8.953 0.975 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.574 -6.852 -0.089 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.215 -6.546 1.019 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.876 -6.148 1.517 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.207 -8.679 0.414 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.502 -7.978 2.022 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.003 -9.679 1.871 1.00 0.40 H new ATOM 1593 N ALA B 12 153.836 -9.770 4.723 1.00 0.41 N ATOM 1594 CA ALA B 12 154.051 -11.116 5.356 1.00 0.47 C ATOM 1595 C ALA B 12 153.084 -11.315 6.526 1.00 0.45 C ATOM 1596 O ALA B 12 152.902 -12.415 7.010 1.00 0.48 O ATOM 1597 CB ALA B 12 155.481 -11.211 5.878 1.00 0.53 C ATOM 0 H ALA B 12 154.233 -8.985 5.239 1.00 0.41 H new ATOM 0 HA ALA B 12 153.873 -11.886 4.606 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.637 -12.187 6.337 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.179 -11.083 5.051 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.650 -10.430 6.620 1.00 0.53 H new ATOM 1603 N GLU B 13 152.468 -10.263 6.994 1.00 0.42 N ATOM 1604 CA GLU B 13 151.520 -10.397 8.141 1.00 0.43 C ATOM 1605 C GLU B 13 150.476 -9.279 8.059 1.00 0.39 C ATOM 1606 O GLU B 13 150.741 -8.235 7.497 1.00 0.36 O ATOM 1607 CB GLU B 13 152.310 -10.271 9.450 1.00 0.46 C ATOM 1608 CG GLU B 13 153.352 -9.160 9.313 1.00 0.48 C ATOM 1609 CD GLU B 13 153.999 -8.896 10.674 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.830 -9.692 11.077 1.00 1.27 O ATOM 1611 OE2 GLU B 13 153.652 -7.902 11.290 1.00 1.04 O ATOM 0 H GLU B 13 152.579 -9.316 6.632 1.00 0.42 H new ATOM 0 HA GLU B 13 151.018 -11.364 8.107 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.633 -10.050 10.275 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.800 -11.216 9.684 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.112 -9.448 8.587 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.882 -8.250 8.939 1.00 0.48 H new ATOM 1618 N PRO B 14 149.305 -9.475 8.624 1.00 0.42 N ATOM 1619 CA PRO B 14 148.239 -8.437 8.616 1.00 0.40 C ATOM 1620 C PRO B 14 148.824 -7.030 8.764 1.00 0.36 C ATOM 1621 O PRO B 14 149.882 -6.847 9.332 1.00 0.36 O ATOM 1622 CB PRO B 14 147.394 -8.813 9.834 1.00 0.45 C ATOM 1623 CG PRO B 14 147.487 -10.308 9.913 1.00 0.49 C ATOM 1624 CD PRO B 14 148.859 -10.695 9.329 1.00 0.48 C ATOM 0 HA PRO B 14 147.673 -8.412 7.685 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.775 -8.344 10.741 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.361 -8.486 9.716 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.395 -10.648 10.945 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.680 -10.777 9.350 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.560 -10.982 10.113 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.778 -11.542 8.648 1.00 0.48 H new ATOM 1632 N MET B 15 148.157 -6.036 8.249 1.00 0.35 N ATOM 1633 CA MET B 15 148.690 -4.646 8.354 1.00 0.34 C ATOM 1634 C MET B 15 148.183 -3.995 9.641 1.00 0.35 C ATOM 1635 O MET B 15 148.783 -3.076 10.163 1.00 0.37 O ATOM 1636 CB MET B 15 148.238 -3.834 7.137 1.00 0.36 C ATOM 1637 CG MET B 15 146.712 -3.856 7.029 1.00 0.40 C ATOM 1638 SD MET B 15 146.225 -3.309 5.375 1.00 0.56 S ATOM 1639 CE MET B 15 146.137 -1.540 5.736 1.00 0.42 C ATOM 0 H MET B 15 147.266 -6.124 7.760 1.00 0.35 H new ATOM 0 HA MET B 15 149.779 -4.673 8.380 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.590 -2.806 7.225 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.681 -4.246 6.230 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.337 -4.862 7.218 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.273 -3.205 7.785 1.00 0.40 H new ATOM 0 HE1 MET B 15 145.147 -1.165 5.478 1.00 0.42 H new ATOM 0 HE2 MET B 15 146.322 -1.376 6.797 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.889 -1.011 5.150 1.00 0.42 H new ATOM 1649 N GLY B 16 147.086 -4.474 10.165 1.00 0.36 N ATOM 1650 CA GLY B 16 146.542 -3.896 11.428 1.00 0.39 C ATOM 1651 C GLY B 16 146.455 -2.374 11.317 1.00 0.38 C ATOM 1652 O GLY B 16 146.053 -1.836 10.304 1.00 0.37 O ATOM 0 H GLY B 16 146.542 -5.242 9.772 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.554 -4.310 11.630 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.181 -4.171 12.267 1.00 0.39 H new ATOM 1656 N GLU B 17 146.818 -1.676 12.367 1.00 0.40 N ATOM 1657 CA GLU B 17 146.750 -0.179 12.363 1.00 0.41 C ATOM 1658 C GLU B 17 148.164 0.400 12.387 1.00 0.38 C ATOM 1659 O GLU B 17 148.450 1.338 13.104 1.00 0.39 O ATOM 1660 CB GLU B 17 145.989 0.285 13.607 1.00 0.46 C ATOM 1661 CG GLU B 17 144.520 -0.131 13.487 1.00 0.50 C ATOM 1662 CD GLU B 17 143.773 0.254 14.765 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.381 0.876 15.620 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.605 -0.085 14.869 1.00 0.84 O ATOM 0 H GLU B 17 147.162 -2.084 13.236 1.00 0.40 H new ATOM 0 HA GLU B 17 146.238 0.164 11.464 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.431 -0.153 14.502 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.065 1.367 13.711 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.063 0.356 12.626 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.448 -1.206 13.321 1.00 0.50 H new ATOM 1671 N LYS B 18 149.056 -0.156 11.614 1.00 0.36 N ATOM 1672 CA LYS B 18 150.453 0.360 11.600 1.00 0.35 C ATOM 1673 C LYS B 18 150.427 1.827 11.140 1.00 0.31 C ATOM 1674 O LYS B 18 149.574 2.215 10.368 1.00 0.30 O ATOM 1675 CB LYS B 18 151.295 -0.478 10.633 1.00 0.35 C ATOM 1676 CG LYS B 18 151.475 -1.887 11.209 1.00 0.45 C ATOM 1677 CD LYS B 18 151.997 -2.834 10.122 1.00 1.16 C ATOM 1678 CE LYS B 18 151.948 -4.278 10.630 1.00 1.44 C ATOM 1679 NZ LYS B 18 152.838 -5.130 9.791 1.00 2.02 N ATOM 0 H LYS B 18 148.878 -0.945 10.992 1.00 0.36 H new ATOM 0 HA LYS B 18 150.891 0.295 12.596 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.808 -0.530 9.659 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.267 -0.009 10.478 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.173 -1.860 12.046 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.525 -2.254 11.598 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.394 -2.735 9.219 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.019 -2.567 9.853 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.264 -4.319 11.672 1.00 1.44 H new ATOM 0 HE3 LYS B 18 150.926 -4.654 10.592 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.090 -5.992 10.316 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.343 -5.391 8.914 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.703 -4.603 9.556 1.00 2.02 H new ATOM 1693 N PRO B 19 151.331 2.650 11.626 1.00 0.31 N ATOM 1694 CA PRO B 19 151.367 4.103 11.265 1.00 0.29 C ATOM 1695 C PRO B 19 151.527 4.337 9.754 1.00 0.25 C ATOM 1696 O PRO B 19 152.040 3.508 9.030 1.00 0.23 O ATOM 1697 CB PRO B 19 152.571 4.664 12.053 1.00 0.32 C ATOM 1698 CG PRO B 19 153.389 3.470 12.445 1.00 0.32 C ATOM 1699 CD PRO B 19 152.414 2.299 12.562 1.00 0.34 C ATOM 0 HA PRO B 19 150.430 4.599 11.518 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.153 5.354 11.441 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.240 5.218 12.932 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.157 3.263 11.699 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.902 3.644 13.391 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.887 1.355 12.291 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.042 2.188 13.581 1.00 0.34 H new ATOM 1707 N VAL B 20 151.080 5.474 9.287 1.00 0.24 N ATOM 1708 CA VAL B 20 151.184 5.798 7.834 1.00 0.22 C ATOM 1709 C VAL B 20 152.637 5.669 7.365 1.00 0.21 C ATOM 1710 O VAL B 20 152.913 5.280 6.248 1.00 0.22 O ATOM 1711 CB VAL B 20 150.691 7.233 7.609 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.404 8.180 8.578 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.981 7.665 6.165 1.00 0.28 C ATOM 0 H VAL B 20 150.643 6.199 9.857 1.00 0.24 H new ATOM 0 HA VAL B 20 150.572 5.101 7.262 1.00 0.22 H new ATOM 0 HB VAL B 20 149.616 7.272 7.787 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.052 9.199 8.416 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.189 7.880 9.604 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.479 8.136 8.405 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.628 8.685 6.013 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.054 7.621 5.981 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.467 6.996 5.475 1.00 0.28 H new ATOM 1723 N GLY B 21 153.564 6.020 8.218 1.00 0.22 N ATOM 1724 CA GLY B 21 155.005 5.955 7.848 1.00 0.21 C ATOM 1725 C GLY B 21 155.490 4.503 7.824 1.00 0.19 C ATOM 1726 O GLY B 21 156.640 4.234 7.536 1.00 0.19 O ATOM 0 H GLY B 21 153.380 6.352 9.165 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.156 6.411 6.869 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.596 6.530 8.562 1.00 0.21 H new ATOM 1730 N SER B 22 154.638 3.558 8.124 1.00 0.20 N ATOM 1731 CA SER B 22 155.074 2.132 8.115 1.00 0.20 C ATOM 1732 C SER B 22 155.036 1.590 6.687 1.00 0.19 C ATOM 1733 O SER B 22 155.740 0.661 6.344 1.00 0.20 O ATOM 1734 CB SER B 22 154.117 1.313 8.975 1.00 0.23 C ATOM 1735 OG SER B 22 152.992 0.934 8.193 1.00 1.24 O ATOM 0 H SER B 22 153.661 3.712 8.374 1.00 0.20 H new ATOM 0 HA SER B 22 156.089 2.063 8.507 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.622 0.427 9.360 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.795 1.896 9.838 1.00 0.23 H new ATOM 0 HG SER B 22 152.322 1.649 8.216 1.00 1.24 H new ATOM 1741 N LEU B 23 154.209 2.157 5.857 1.00 0.18 N ATOM 1742 CA LEU B 23 154.112 1.667 4.453 1.00 0.18 C ATOM 1743 C LEU B 23 155.463 1.814 3.755 1.00 0.18 C ATOM 1744 O LEU B 23 156.151 2.804 3.899 1.00 0.18 O ATOM 1745 CB LEU B 23 153.069 2.487 3.693 1.00 0.19 C ATOM 1746 CG LEU B 23 151.675 2.252 4.287 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.675 3.191 3.605 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.243 0.786 4.075 1.00 0.24 C ATOM 0 H LEU B 23 153.595 2.938 6.088 1.00 0.18 H new ATOM 0 HA LEU B 23 153.820 0.617 4.466 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.320 3.546 3.745 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.075 2.209 2.639 1.00 0.19 H new ATOM 0 HG LEU B 23 151.701 2.455 5.358 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.681 3.029 4.022 1.00 0.23 H new ATOM 0 HD12 LEU B 23 150.975 4.225 3.772 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.656 2.987 2.534 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.252 0.633 4.502 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.217 0.565 3.008 1.00 0.24 H new ATOM 0 HD23 LEU B 23 151.955 0.122 4.565 1.00 0.24 H new ATOM 1760 N ALA B 24 155.836 0.829 2.994 1.00 0.18 N ATOM 1761 CA ALA B 24 157.135 0.901 2.273 1.00 0.19 C ATOM 1762 C ALA B 24 157.097 2.057 1.270 1.00 0.19 C ATOM 1763 O ALA B 24 156.142 2.237 0.542 1.00 0.20 O ATOM 1764 CB ALA B 24 157.383 -0.411 1.528 1.00 0.21 C ATOM 0 H ALA B 24 155.299 -0.024 2.839 1.00 0.18 H new ATOM 0 HA ALA B 24 157.938 1.066 2.991 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.335 -0.356 1.001 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.411 -1.235 2.241 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.580 -0.579 0.810 1.00 0.21 H new ATOM 1770 N GLY B 25 158.141 2.840 1.236 1.00 0.20 N ATOM 1771 CA GLY B 25 158.194 3.998 0.289 1.00 0.21 C ATOM 1772 C GLY B 25 157.798 5.280 1.026 1.00 0.20 C ATOM 1773 O GLY B 25 158.139 6.370 0.614 1.00 0.22 O ATOM 0 H GLY B 25 158.966 2.729 1.826 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.198 4.098 -0.123 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.520 3.826 -0.551 1.00 0.21 H new ATOM 1777 N ILE B 26 157.093 5.158 2.122 1.00 0.20 N ATOM 1778 CA ILE B 26 156.683 6.372 2.897 1.00 0.21 C ATOM 1779 C ILE B 26 157.655 6.545 4.062 1.00 0.23 C ATOM 1780 O ILE B 26 157.707 5.724 4.956 1.00 0.25 O ATOM 1781 CB ILE B 26 155.263 6.179 3.442 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.307 5.815 2.296 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.787 7.471 4.115 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.403 6.847 1.164 1.00 0.24 C ATOM 0 H ILE B 26 156.782 4.270 2.515 1.00 0.20 H new ATOM 0 HA ILE B 26 156.700 7.252 2.255 1.00 0.21 H new ATOM 0 HB ILE B 26 155.270 5.371 4.173 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.550 4.824 1.913 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.284 5.770 2.669 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.777 7.330 4.501 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.458 7.722 4.937 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.787 8.282 3.387 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.718 6.572 0.362 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.136 7.832 1.546 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.422 6.871 0.779 1.00 0.24 H new ATOM 1796 N GLY B 27 158.425 7.601 4.073 1.00 0.24 N ATOM 1797 CA GLY B 27 159.386 7.815 5.195 1.00 0.27 C ATOM 1798 C GLY B 27 158.757 8.737 6.241 1.00 0.28 C ATOM 1799 O GLY B 27 157.626 9.161 6.112 1.00 0.27 O ATOM 0 H GLY B 27 158.430 8.324 3.354 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.649 6.860 5.649 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.310 8.254 4.817 1.00 0.27 H new ATOM 1803 N GLU B 28 159.479 9.036 7.284 1.00 0.30 N ATOM 1804 CA GLU B 28 158.917 9.918 8.345 1.00 0.32 C ATOM 1805 C GLU B 28 158.508 11.263 7.738 1.00 0.32 C ATOM 1806 O GLU B 28 157.489 11.825 8.087 1.00 0.35 O ATOM 1807 CB GLU B 28 159.970 10.151 9.432 1.00 0.36 C ATOM 1808 CG GLU B 28 160.210 8.855 10.217 1.00 0.39 C ATOM 1809 CD GLU B 28 158.945 8.469 10.988 1.00 1.27 C ATOM 1810 OE1 GLU B 28 158.502 9.267 11.799 1.00 2.00 O ATOM 1811 OE2 GLU B 28 158.443 7.381 10.757 1.00 1.64 O ATOM 0 H GLU B 28 160.431 8.709 7.448 1.00 0.30 H new ATOM 0 HA GLU B 28 158.042 9.437 8.782 1.00 0.32 H new ATOM 0 HB2 GLU B 28 160.902 10.490 8.980 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.638 10.939 10.108 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.489 8.053 9.534 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.042 8.988 10.909 1.00 0.39 H new ATOM 1818 N VAL B 29 159.292 11.790 6.838 1.00 0.31 N ATOM 1819 CA VAL B 29 158.939 13.103 6.225 1.00 0.33 C ATOM 1820 C VAL B 29 157.646 12.955 5.422 1.00 0.33 C ATOM 1821 O VAL B 29 156.738 13.756 5.532 1.00 0.35 O ATOM 1822 CB VAL B 29 160.078 13.549 5.300 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.644 14.770 4.483 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.304 13.909 6.141 1.00 0.35 C ATOM 0 H VAL B 29 160.159 11.371 6.501 1.00 0.31 H new ATOM 0 HA VAL B 29 158.793 13.850 7.005 1.00 0.33 H new ATOM 0 HB VAL B 29 160.325 12.734 4.619 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.460 15.079 3.829 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.773 14.513 3.880 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.390 15.588 5.158 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.115 14.226 5.485 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.051 14.720 6.824 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.621 13.038 6.714 1.00 0.35 H new ATOM 1834 N LEU B 30 157.560 11.941 4.611 1.00 0.32 N ATOM 1835 CA LEU B 30 156.332 11.739 3.792 1.00 0.33 C ATOM 1836 C LEU B 30 155.149 11.451 4.713 1.00 0.32 C ATOM 1837 O LEU B 30 154.035 11.864 4.460 1.00 0.33 O ATOM 1838 CB LEU B 30 156.538 10.560 2.837 1.00 0.33 C ATOM 1839 CG LEU B 30 157.682 10.868 1.862 1.00 0.35 C ATOM 1840 CD1 LEU B 30 157.964 9.626 1.010 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.303 12.051 0.948 1.00 0.40 C ATOM 0 H LEU B 30 158.289 11.240 4.478 1.00 0.32 H new ATOM 0 HA LEU B 30 156.131 12.640 3.213 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.766 9.657 3.404 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.620 10.365 2.283 1.00 0.33 H new ATOM 0 HG LEU B 30 158.573 11.138 2.429 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.776 9.838 0.315 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.249 8.797 1.658 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.068 9.358 0.450 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.124 12.258 0.262 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.409 11.799 0.378 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.108 12.934 1.557 1.00 0.40 H new ATOM 1853 N GLY B 31 155.384 10.747 5.783 1.00 0.33 N ATOM 1854 CA GLY B 31 154.272 10.434 6.722 1.00 0.34 C ATOM 1855 C GLY B 31 153.639 11.736 7.215 1.00 0.35 C ATOM 1856 O GLY B 31 152.435 11.835 7.350 1.00 0.36 O ATOM 0 H GLY B 31 156.296 10.375 6.048 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.523 9.819 6.223 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.647 9.857 7.567 1.00 0.34 H new ATOM 1860 N LYS B 32 154.434 12.738 7.490 1.00 0.35 N ATOM 1861 CA LYS B 32 153.859 14.025 7.976 1.00 0.37 C ATOM 1862 C LYS B 32 153.029 14.689 6.873 1.00 0.37 C ATOM 1863 O LYS B 32 152.009 15.291 7.141 1.00 0.38 O ATOM 1864 CB LYS B 32 154.977 14.977 8.419 1.00 0.40 C ATOM 1865 CG LYS B 32 155.626 14.453 9.705 1.00 1.18 C ATOM 1866 CD LYS B 32 156.522 15.538 10.316 1.00 1.36 C ATOM 1867 CE LYS B 32 157.696 15.847 9.381 1.00 2.07 C ATOM 1868 NZ LYS B 32 157.244 16.771 8.303 1.00 2.75 N ATOM 0 H LYS B 32 155.450 12.720 7.399 1.00 0.35 H new ATOM 0 HA LYS B 32 153.214 13.810 8.828 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.726 15.064 7.632 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.572 15.975 8.586 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.856 14.161 10.419 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.215 13.562 9.489 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.940 16.443 10.492 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.897 15.207 11.284 1.00 1.36 H new ATOM 0 HE2 LYS B 32 158.513 16.299 9.943 1.00 2.07 H new ATOM 0 HE3 LYS B 32 158.081 14.925 8.946 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.236 16.266 7.394 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 156.285 17.112 8.518 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.895 17.580 8.244 1.00 2.75 H new ATOM 1882 N LYS B 33 153.448 14.605 5.636 1.00 0.35 N ATOM 1883 CA LYS B 33 152.658 15.260 4.554 1.00 0.36 C ATOM 1884 C LYS B 33 151.320 14.533 4.391 1.00 0.34 C ATOM 1885 O LYS B 33 150.268 15.140 4.425 1.00 0.36 O ATOM 1886 CB LYS B 33 153.439 15.194 3.237 1.00 0.36 C ATOM 1887 CG LYS B 33 154.708 16.042 3.354 1.00 0.39 C ATOM 1888 CD LYS B 33 155.491 15.977 2.040 1.00 0.64 C ATOM 1889 CE LYS B 33 156.761 16.823 2.155 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.396 18.255 2.353 1.00 1.56 N ATOM 0 H LYS B 33 154.291 14.118 5.332 1.00 0.35 H new ATOM 0 HA LYS B 33 152.478 16.303 4.816 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.699 14.161 3.007 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.820 15.557 2.416 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.447 17.075 3.583 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.326 15.679 4.176 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.750 14.943 1.811 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.873 16.340 1.219 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.368 16.474 2.991 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.365 16.713 1.255 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.215 18.856 2.129 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.604 18.501 1.726 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.115 18.408 3.343 1.00 1.56 H new ATOM 1904 N LEU B 34 151.344 13.237 4.242 1.00 0.32 N ATOM 1905 CA LEU B 34 150.065 12.482 4.109 1.00 0.31 C ATOM 1906 C LEU B 34 149.240 12.703 5.384 1.00 0.31 C ATOM 1907 O LEU B 34 148.038 12.865 5.345 1.00 0.32 O ATOM 1908 CB LEU B 34 150.360 10.990 3.907 1.00 0.28 C ATOM 1909 CG LEU B 34 151.102 10.777 2.575 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.577 9.321 2.477 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.171 11.095 1.385 1.00 0.33 C ATOM 0 H LEU B 34 152.191 12.669 4.207 1.00 0.32 H new ATOM 0 HA LEU B 34 149.503 12.835 3.244 1.00 0.31 H new ATOM 0 HB2 LEU B 34 150.964 10.615 4.733 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.429 10.423 3.909 1.00 0.28 H new ATOM 0 HG LEU B 34 151.961 11.447 2.541 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.102 9.172 1.533 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.250 9.101 3.305 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.716 8.654 2.522 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.710 10.940 0.450 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.302 10.437 1.417 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.843 12.133 1.447 1.00 0.33 H new ATOM 1923 N GLU B 35 149.892 12.709 6.512 1.00 0.31 N ATOM 1924 CA GLU B 35 149.150 12.922 7.791 1.00 0.34 C ATOM 1925 C GLU B 35 148.451 14.282 7.753 1.00 0.37 C ATOM 1926 O GLU B 35 147.306 14.412 8.139 1.00 0.39 O ATOM 1927 CB GLU B 35 150.125 12.878 8.970 1.00 0.35 C ATOM 1928 CG GLU B 35 149.358 13.111 10.274 1.00 0.92 C ATOM 1929 CD GLU B 35 150.285 12.863 11.464 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.397 12.413 11.242 1.00 1.35 O ATOM 1931 OE2 GLU B 35 149.866 13.127 12.580 1.00 1.68 O ATOM 0 H GLU B 35 150.899 12.577 6.607 1.00 0.31 H new ATOM 0 HA GLU B 35 148.407 12.134 7.913 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.632 11.914 9.001 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.895 13.639 8.847 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.974 14.131 10.305 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.497 12.445 10.326 1.00 0.92 H new ATOM 1938 N GLU B 36 149.120 15.289 7.270 1.00 0.39 N ATOM 1939 CA GLU B 36 148.486 16.634 7.183 1.00 0.44 C ATOM 1940 C GLU B 36 147.327 16.565 6.192 1.00 0.45 C ATOM 1941 O GLU B 36 146.447 17.402 6.181 1.00 0.49 O ATOM 1942 CB GLU B 36 149.518 17.660 6.706 1.00 0.46 C ATOM 1943 CG GLU B 36 148.862 19.040 6.611 1.00 1.11 C ATOM 1944 CD GLU B 36 149.923 20.088 6.272 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.091 19.736 6.255 1.00 1.99 O ATOM 1946 OE2 GLU B 36 149.550 21.226 6.035 1.00 1.85 O ATOM 0 H GLU B 36 150.081 15.240 6.931 1.00 0.39 H new ATOM 0 HA GLU B 36 148.116 16.936 8.163 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.360 17.693 7.398 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.915 17.367 5.734 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.085 19.033 5.846 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.378 19.290 7.555 1.00 1.11 H new ATOM 1953 N ARG B 37 147.329 15.566 5.353 1.00 0.42 N ATOM 1954 CA ARG B 37 146.237 15.427 4.347 1.00 0.45 C ATOM 1955 C ARG B 37 145.101 14.574 4.927 1.00 0.42 C ATOM 1956 O ARG B 37 144.133 14.284 4.253 1.00 0.43 O ATOM 1957 CB ARG B 37 146.793 14.759 3.080 1.00 0.45 C ATOM 1958 CG ARG B 37 147.744 15.712 2.338 1.00 0.52 C ATOM 1959 CD ARG B 37 146.949 16.698 1.471 1.00 0.86 C ATOM 1960 NE ARG B 37 147.895 17.545 0.694 1.00 1.42 N ATOM 1961 CZ ARG B 37 147.469 18.217 -0.340 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.219 18.129 -0.705 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.294 18.973 -1.010 1.00 2.68 N ATOM 0 H ARG B 37 148.042 14.837 5.320 1.00 0.42 H new ATOM 0 HA ARG B 37 145.848 16.414 4.096 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.322 13.844 3.347 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.972 14.472 2.423 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.353 16.260 3.057 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.428 15.138 1.713 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.290 16.155 0.794 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.315 17.324 2.100 1.00 0.86 H new ATOM 0 HE ARG B 37 148.875 17.600 0.970 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.576 17.535 -0.182 1.00 2.15 H new ATOM 0 HH12 ARG B 37 145.886 18.654 -1.513 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.271 19.038 -0.725 1.00 2.68 H new ATOM 0 HH22 ARG B 37 147.962 19.499 -1.819 1.00 2.68 H new ATOM 1977 N GLY B 38 145.190 14.205 6.183 1.00 0.41 N ATOM 1978 CA GLY B 38 144.086 13.411 6.817 1.00 0.39 C ATOM 1979 C GLY B 38 144.416 11.916 6.852 1.00 0.37 C ATOM 1980 O GLY B 38 143.573 11.109 7.192 1.00 0.49 O ATOM 0 H GLY B 38 145.977 14.418 6.796 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.915 13.770 7.832 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.160 13.567 6.263 1.00 0.39 H new ATOM 1984 N PHE B 39 145.622 11.527 6.521 1.00 0.31 N ATOM 1985 CA PHE B 39 145.989 10.074 6.555 1.00 0.28 C ATOM 1986 C PHE B 39 146.909 9.817 7.752 1.00 0.28 C ATOM 1987 O PHE B 39 148.106 9.666 7.607 1.00 0.28 O ATOM 1988 CB PHE B 39 146.745 9.724 5.277 1.00 0.27 C ATOM 1989 CG PHE B 39 145.819 9.822 4.090 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.672 11.042 3.428 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.121 8.696 3.647 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.823 11.142 2.321 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.268 8.792 2.539 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.119 10.017 1.876 1.00 0.32 C ATOM 0 H PHE B 39 146.372 12.153 6.228 1.00 0.31 H new ATOM 0 HA PHE B 39 145.087 9.468 6.638 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.590 10.400 5.147 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.152 8.715 5.349 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.215 11.910 3.771 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.239 7.752 4.158 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.711 12.087 1.810 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.726 7.923 2.197 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.462 10.093 1.022 1.00 0.32 H new ATOM 2004 N ASP B 40 146.363 9.795 8.935 1.00 0.30 N ATOM 2005 CA ASP B 40 147.220 9.583 10.138 1.00 0.31 C ATOM 2006 C ASP B 40 147.575 8.103 10.290 1.00 0.29 C ATOM 2007 O ASP B 40 148.377 7.741 11.127 1.00 0.30 O ATOM 2008 CB ASP B 40 146.468 10.049 11.387 1.00 0.35 C ATOM 2009 CG ASP B 40 145.244 9.158 11.605 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.824 8.519 10.655 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.748 9.128 12.720 1.00 0.41 O ATOM 0 H ASP B 40 145.367 9.914 9.122 1.00 0.30 H new ATOM 0 HA ASP B 40 148.139 10.157 10.018 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.123 10.005 12.257 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.159 11.088 11.273 1.00 0.35 H new ATOM 2016 N LYS B 41 146.983 7.241 9.501 1.00 0.28 N ATOM 2017 CA LYS B 41 147.288 5.778 9.617 1.00 0.28 C ATOM 2018 C LYS B 41 147.422 5.153 8.222 1.00 0.23 C ATOM 2019 O LYS B 41 146.965 5.694 7.234 1.00 0.23 O ATOM 2020 CB LYS B 41 146.178 5.106 10.425 1.00 0.33 C ATOM 2021 CG LYS B 41 146.291 5.570 11.884 1.00 0.47 C ATOM 2022 CD LYS B 41 145.198 4.922 12.730 1.00 0.74 C ATOM 2023 CE LYS B 41 145.324 5.393 14.180 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.554 4.814 14.788 1.00 1.56 N ATOM 0 H LYS B 41 146.302 7.485 8.782 1.00 0.28 H new ATOM 0 HA LYS B 41 148.237 5.633 10.133 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.201 5.368 10.018 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.268 4.021 10.364 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.272 5.308 12.281 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.205 6.655 11.936 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.216 5.184 12.336 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.282 3.836 12.681 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.366 6.482 14.217 1.00 0.71 H new ATOM 0 HE3 LYS B 41 144.446 5.088 14.750 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.497 4.887 15.824 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 146.638 3.814 14.516 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.387 5.336 14.450 1.00 1.56 H new ATOM 2038 N ALA B 42 148.092 4.033 8.142 1.00 0.21 N ATOM 2039 CA ALA B 42 148.327 3.365 6.823 1.00 0.20 C ATOM 2040 C ALA B 42 147.035 2.837 6.181 1.00 0.18 C ATOM 2041 O ALA B 42 146.852 2.956 4.985 1.00 0.18 O ATOM 2042 CB ALA B 42 149.290 2.195 7.028 1.00 0.21 C ATOM 0 H ALA B 42 148.492 3.545 8.944 1.00 0.21 H new ATOM 0 HA ALA B 42 148.743 4.113 6.148 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.469 1.700 6.074 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.234 2.566 7.427 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.854 1.484 7.730 1.00 0.21 H new ATOM 2048 N TYR B 43 146.163 2.213 6.924 1.00 0.18 N ATOM 2049 CA TYR B 43 144.940 1.646 6.282 1.00 0.18 C ATOM 2050 C TYR B 43 144.125 2.753 5.612 1.00 0.17 C ATOM 2051 O TYR B 43 143.303 2.495 4.754 1.00 0.17 O ATOM 2052 CB TYR B 43 144.084 0.875 7.290 1.00 0.20 C ATOM 2053 CG TYR B 43 143.316 1.810 8.185 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.047 2.246 7.796 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.851 2.215 9.410 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.312 3.090 8.627 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.115 3.064 10.243 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.844 3.501 9.852 1.00 0.27 C ATOM 2059 OH TYR B 43 141.117 4.337 10.676 1.00 0.32 O ATOM 0 H TYR B 43 146.240 2.072 7.931 1.00 0.18 H new ATOM 0 HA TYR B 43 145.261 0.940 5.516 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.389 0.225 6.758 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.723 0.232 7.895 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.635 1.929 6.850 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.830 1.874 9.713 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.331 3.426 8.324 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.528 3.383 11.189 1.00 0.28 H new ATOM 0 HH TYR B 43 141.632 4.524 11.488 1.00 0.32 H new ATOM 2069 N VAL B 44 144.361 3.983 5.964 1.00 0.18 N ATOM 2070 CA VAL B 44 143.614 5.091 5.305 1.00 0.18 C ATOM 2071 C VAL B 44 144.279 5.344 3.950 1.00 0.17 C ATOM 2072 O VAL B 44 143.649 5.708 2.973 1.00 0.17 O ATOM 2073 CB VAL B 44 143.684 6.351 6.173 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.792 7.444 5.575 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.202 6.023 7.590 1.00 0.24 C ATOM 0 H VAL B 44 145.034 4.270 6.675 1.00 0.18 H new ATOM 0 HA VAL B 44 142.564 4.830 5.173 1.00 0.18 H new ATOM 0 HB VAL B 44 144.714 6.705 6.208 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.846 8.338 6.196 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.133 7.681 4.567 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.761 7.091 5.535 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.252 6.920 8.208 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.173 5.666 7.551 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.838 5.250 8.021 1.00 0.24 H new ATOM 2085 N VAL B 45 145.566 5.125 3.906 1.00 0.17 N ATOM 2086 CA VAL B 45 146.339 5.317 2.648 1.00 0.17 C ATOM 2087 C VAL B 45 146.076 4.118 1.737 1.00 0.15 C ATOM 2088 O VAL B 45 145.908 4.256 0.542 1.00 0.15 O ATOM 2089 CB VAL B 45 147.832 5.396 2.973 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.642 5.405 1.675 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.118 6.673 3.767 1.00 0.20 C ATOM 0 H VAL B 45 146.122 4.816 4.703 1.00 0.17 H new ATOM 0 HA VAL B 45 146.034 6.240 2.154 1.00 0.17 H new ATOM 0 HB VAL B 45 148.117 4.529 3.569 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.705 5.461 1.910 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.442 4.491 1.115 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.357 6.269 1.074 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.182 6.727 3.998 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.830 7.542 3.175 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.546 6.660 4.695 1.00 0.20 H new ATOM 2101 N LEU B 46 146.009 2.943 2.302 1.00 0.17 N ATOM 2102 CA LEU B 46 145.721 1.738 1.480 1.00 0.17 C ATOM 2103 C LEU B 46 144.360 1.947 0.824 1.00 0.17 C ATOM 2104 O LEU B 46 144.122 1.550 -0.300 1.00 0.17 O ATOM 2105 CB LEU B 46 145.683 0.501 2.389 1.00 0.22 C ATOM 2106 CG LEU B 46 145.156 -0.719 1.623 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.975 -0.939 0.350 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.270 -1.957 2.520 1.00 0.35 C ATOM 0 H LEU B 46 146.142 2.768 3.298 1.00 0.17 H new ATOM 0 HA LEU B 46 146.489 1.587 0.721 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.683 0.293 2.770 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.047 0.697 3.252 1.00 0.22 H new ATOM 0 HG LEU B 46 144.115 -0.549 1.348 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.591 -1.808 -0.184 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.900 -0.058 -0.288 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.019 -1.108 0.614 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.898 -2.830 1.984 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.314 -2.115 2.791 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.680 -1.807 3.424 1.00 0.35 H new ATOM 2120 N GLY B 47 143.468 2.577 1.535 1.00 0.17 N ATOM 2121 CA GLY B 47 142.112 2.837 0.988 1.00 0.18 C ATOM 2122 C GLY B 47 142.219 3.681 -0.279 1.00 0.17 C ATOM 2123 O GLY B 47 141.548 3.431 -1.259 1.00 0.18 O ATOM 0 H GLY B 47 143.624 2.926 2.481 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.612 1.894 0.767 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.503 3.354 1.730 1.00 0.18 H new ATOM 2127 N GLN B 48 143.064 4.677 -0.277 1.00 0.17 N ATOM 2128 CA GLN B 48 143.211 5.526 -1.492 1.00 0.18 C ATOM 2129 C GLN B 48 143.661 4.644 -2.660 1.00 0.17 C ATOM 2130 O GLN B 48 143.154 4.741 -3.760 1.00 0.18 O ATOM 2131 CB GLN B 48 144.260 6.608 -1.229 1.00 0.18 C ATOM 2132 CG GLN B 48 144.200 7.665 -2.332 1.00 0.22 C ATOM 2133 CD GLN B 48 142.904 8.466 -2.197 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.636 9.039 -1.160 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.082 8.531 -3.208 1.00 1.09 N ATOM 0 H GLN B 48 143.657 4.938 0.511 1.00 0.17 H new ATOM 0 HA GLN B 48 142.260 6.000 -1.735 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.083 7.071 -0.258 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.254 6.163 -1.193 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.061 8.330 -2.261 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.246 7.188 -3.311 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.306 8.050 -4.079 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.215 9.063 -3.127 1.00 1.09 H new ATOM 2144 N PHE B 49 144.605 3.775 -2.418 1.00 0.17 N ATOM 2145 CA PHE B 49 145.093 2.864 -3.494 1.00 0.17 C ATOM 2146 C PHE B 49 143.929 2.009 -3.996 1.00 0.18 C ATOM 2147 O PHE B 49 143.785 1.757 -5.177 1.00 0.19 O ATOM 2148 CB PHE B 49 146.187 1.967 -2.912 1.00 0.18 C ATOM 2149 CG PHE B 49 146.663 0.997 -3.961 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.637 1.386 -4.884 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.131 -0.297 -4.004 1.00 0.27 C ATOM 2152 CE1 PHE B 49 148.079 0.482 -5.853 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.575 -1.202 -4.973 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.549 -0.812 -5.899 1.00 0.27 C ATOM 0 H PHE B 49 145.063 3.656 -1.514 1.00 0.17 H new ATOM 0 HA PHE B 49 145.495 3.440 -4.327 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.021 2.575 -2.561 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.803 1.424 -2.048 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.048 2.384 -4.848 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.378 -0.596 -3.289 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.831 0.782 -6.568 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.167 -2.201 -5.007 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.891 -1.510 -6.649 1.00 0.27 H new ATOM 2164 N LEU B 50 143.110 1.559 -3.102 1.00 0.18 N ATOM 2165 CA LEU B 50 141.956 0.711 -3.510 1.00 0.20 C ATOM 2166 C LEU B 50 140.953 1.579 -4.289 1.00 0.21 C ATOM 2167 O LEU B 50 140.352 1.139 -5.249 1.00 0.23 O ATOM 2168 CB LEU B 50 141.303 0.121 -2.254 1.00 0.22 C ATOM 2169 CG LEU B 50 142.258 -0.885 -1.579 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.736 -1.215 -0.174 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.349 -2.183 -2.402 1.00 0.27 C ATOM 0 H LEU B 50 143.185 1.739 -2.101 1.00 0.18 H new ATOM 0 HA LEU B 50 142.287 -0.107 -4.150 1.00 0.20 H new ATOM 0 HB2 LEU B 50 141.052 0.920 -1.556 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.369 -0.375 -2.520 1.00 0.22 H new ATOM 0 HG LEU B 50 143.250 -0.438 -1.517 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.408 -1.926 0.306 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.688 -0.302 0.420 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.740 -1.652 -0.249 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.027 -2.879 -1.909 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.360 -2.634 -2.481 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.724 -1.956 -3.400 1.00 0.27 H new ATOM 2183 N VAL B 51 140.764 2.803 -3.876 1.00 0.21 N ATOM 2184 CA VAL B 51 139.795 3.705 -4.578 1.00 0.23 C ATOM 2185 C VAL B 51 140.316 4.073 -5.977 1.00 0.23 C ATOM 2186 O VAL B 51 139.571 4.514 -6.829 1.00 0.25 O ATOM 2187 CB VAL B 51 139.600 4.988 -3.749 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.869 6.052 -4.577 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.774 4.674 -2.498 1.00 0.27 C ATOM 0 H VAL B 51 141.240 3.223 -3.078 1.00 0.21 H new ATOM 0 HA VAL B 51 138.844 3.184 -4.685 1.00 0.23 H new ATOM 0 HB VAL B 51 140.580 5.368 -3.461 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.738 6.953 -3.978 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.455 6.288 -5.465 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.893 5.672 -4.878 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.638 5.584 -1.914 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.800 4.284 -2.794 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.295 3.930 -1.895 1.00 0.27 H new ATOM 2199 N LEU B 52 141.592 3.933 -6.206 1.00 0.22 N ATOM 2200 CA LEU B 52 142.165 4.317 -7.535 1.00 0.23 C ATOM 2201 C LEU B 52 142.098 3.143 -8.516 1.00 0.23 C ATOM 2202 O LEU B 52 142.729 3.165 -9.554 1.00 0.24 O ATOM 2203 CB LEU B 52 143.620 4.744 -7.336 1.00 0.24 C ATOM 2204 CG LEU B 52 143.672 6.070 -6.552 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.072 6.255 -5.956 1.00 0.30 C ATOM 2206 CD2 LEU B 52 143.351 7.259 -7.479 1.00 0.27 C ATOM 0 H LEU B 52 142.266 3.569 -5.533 1.00 0.22 H new ATOM 0 HA LEU B 52 141.584 5.140 -7.952 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.165 3.970 -6.796 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.109 4.863 -8.303 1.00 0.24 H new ATOM 0 HG LEU B 52 142.930 6.035 -5.755 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.110 7.192 -5.401 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.294 5.426 -5.284 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.809 6.278 -6.759 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.392 8.187 -6.908 1.00 0.27 H new ATOM 0 HD22 LEU B 52 144.081 7.297 -8.288 1.00 0.27 H new ATOM 0 HD23 LEU B 52 142.352 7.135 -7.898 1.00 0.27 H new ATOM 2218 N LYS B 53 141.347 2.122 -8.216 1.00 0.23 N ATOM 2219 CA LYS B 53 141.260 0.970 -9.159 1.00 0.24 C ATOM 2220 C LYS B 53 142.668 0.499 -9.536 1.00 0.24 C ATOM 2221 O LYS B 53 142.903 0.025 -10.630 1.00 0.30 O ATOM 2222 CB LYS B 53 140.497 1.402 -10.415 1.00 0.29 C ATOM 2223 CG LYS B 53 139.019 1.604 -10.055 1.00 0.39 C ATOM 2224 CD LYS B 53 138.216 2.040 -11.294 1.00 0.48 C ATOM 2225 CE LYS B 53 138.285 3.563 -11.465 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.357 4.212 -10.495 1.00 1.71 N ATOM 0 H LYS B 53 140.792 2.033 -7.365 1.00 0.23 H new ATOM 0 HA LYS B 53 140.731 0.146 -8.680 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.918 2.326 -10.812 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.595 0.646 -11.194 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.606 0.678 -9.655 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.929 2.358 -9.273 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.612 1.549 -12.183 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.177 1.725 -11.192 1.00 0.48 H new ATOM 0 HE2 LYS B 53 139.304 3.913 -11.300 1.00 0.92 H new ATOM 0 HE3 LYS B 53 138.014 3.838 -12.484 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 137.220 5.208 -10.759 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.441 3.721 -10.509 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 137.763 4.160 -9.539 1.00 1.71 H new ATOM 2240 N LYS B 54 143.603 0.625 -8.626 1.00 0.23 N ATOM 2241 CA LYS B 54 145.011 0.190 -8.878 1.00 0.26 C ATOM 2242 C LYS B 54 145.575 0.922 -10.096 1.00 0.28 C ATOM 2243 O LYS B 54 146.550 0.492 -10.682 1.00 0.34 O ATOM 2244 CB LYS B 54 145.065 -1.322 -9.129 1.00 0.36 C ATOM 2245 CG LYS B 54 144.527 -2.071 -7.907 1.00 0.67 C ATOM 2246 CD LYS B 54 144.602 -3.579 -8.160 1.00 0.83 C ATOM 2247 CE LYS B 54 144.028 -4.336 -6.958 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.974 -4.253 -5.810 1.00 2.25 N ATOM 0 H LYS B 54 143.445 1.020 -7.699 1.00 0.23 H new ATOM 0 HA LYS B 54 145.608 0.430 -7.998 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.475 -1.575 -10.010 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.091 -1.630 -9.333 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.108 -1.810 -7.022 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.497 -1.775 -7.710 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.045 -3.834 -9.062 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.637 -3.878 -8.329 1.00 0.83 H new ATOM 0 HE2 LYS B 54 143.063 -3.913 -6.677 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.854 -5.379 -7.223 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 144.995 -5.165 -5.311 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 145.927 -4.028 -6.161 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.661 -3.508 -5.156 1.00 2.25 H new ATOM 2262 N ASP B 55 145.003 2.029 -10.481 1.00 0.30 N ATOM 2263 CA ASP B 55 145.557 2.761 -11.653 1.00 0.39 C ATOM 2264 C ASP B 55 146.911 3.364 -11.244 1.00 0.38 C ATOM 2265 O ASP B 55 146.984 4.273 -10.442 1.00 0.37 O ATOM 2266 CB ASP B 55 144.582 3.860 -12.073 1.00 0.47 C ATOM 2267 CG ASP B 55 145.126 4.596 -13.298 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.333 4.755 -13.384 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.327 4.981 -14.135 1.00 1.54 O ATOM 0 H ASP B 55 144.187 2.454 -10.041 1.00 0.30 H new ATOM 0 HA ASP B 55 145.698 2.088 -12.499 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.608 3.427 -12.301 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.435 4.561 -11.252 1.00 0.47 H new ATOM 2274 N GLU B 56 147.979 2.821 -11.762 1.00 0.39 N ATOM 2275 CA GLU B 56 149.349 3.297 -11.392 1.00 0.38 C ATOM 2276 C GLU B 56 149.606 4.761 -11.788 1.00 0.38 C ATOM 2277 O GLU B 56 150.222 5.500 -11.052 1.00 0.38 O ATOM 2278 CB GLU B 56 150.381 2.401 -12.080 1.00 0.40 C ATOM 2279 CG GLU B 56 151.786 2.751 -11.584 1.00 0.41 C ATOM 2280 CD GLU B 56 152.804 1.821 -12.244 1.00 0.63 C ATOM 2281 OE1 GLU B 56 153.072 0.773 -11.679 1.00 0.88 O ATOM 2282 OE2 GLU B 56 153.300 2.172 -13.301 1.00 0.85 O ATOM 0 H GLU B 56 147.963 2.056 -12.436 1.00 0.39 H new ATOM 0 HA GLU B 56 149.433 3.242 -10.307 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.163 1.354 -11.872 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.325 2.530 -13.161 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.019 3.789 -11.820 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.836 2.652 -10.500 1.00 0.41 H new ATOM 2289 N ASP B 57 149.158 5.193 -12.934 1.00 0.40 N ATOM 2290 CA ASP B 57 149.417 6.611 -13.339 1.00 0.42 C ATOM 2291 C ASP B 57 148.644 7.564 -12.425 1.00 0.41 C ATOM 2292 O ASP B 57 149.149 8.590 -12.016 1.00 0.41 O ATOM 2293 CB ASP B 57 148.975 6.814 -14.790 1.00 0.45 C ATOM 2294 CG ASP B 57 149.974 6.133 -15.727 1.00 0.47 C ATOM 2295 OD1 ASP B 57 150.948 6.773 -16.089 1.00 0.74 O ATOM 2296 OD2 ASP B 57 149.747 4.985 -16.070 1.00 0.65 O ATOM 0 H ASP B 57 148.629 4.635 -13.604 1.00 0.40 H new ATOM 0 HA ASP B 57 150.483 6.822 -13.251 1.00 0.42 H new ATOM 0 HB2 ASP B 57 147.978 6.398 -14.939 1.00 0.45 H new ATOM 0 HB3 ASP B 57 148.914 7.878 -15.017 1.00 0.45 H new ATOM 2301 N LEU B 58 147.443 7.225 -12.084 1.00 0.40 N ATOM 2302 CA LEU B 58 146.672 8.114 -11.171 1.00 0.40 C ATOM 2303 C LEU B 58 147.287 8.045 -9.772 1.00 0.38 C ATOM 2304 O LEU B 58 147.423 9.043 -9.093 1.00 0.38 O ATOM 2305 CB LEU B 58 145.202 7.693 -11.113 1.00 0.41 C ATOM 2306 CG LEU B 58 144.563 7.807 -12.505 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.116 7.305 -12.435 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.577 9.274 -12.978 1.00 0.55 C ATOM 0 H LEU B 58 146.959 6.381 -12.391 1.00 0.40 H new ATOM 0 HA LEU B 58 146.718 9.135 -11.549 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.124 6.668 -10.752 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.663 8.323 -10.405 1.00 0.41 H new ATOM 0 HG LEU B 58 145.132 7.204 -13.213 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.656 7.383 -13.420 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.107 6.264 -12.112 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.555 7.911 -11.723 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.121 9.342 -13.966 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.014 9.888 -12.275 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.606 9.631 -13.028 1.00 0.55 H new ATOM 2320 N PHE B 59 147.693 6.877 -9.349 1.00 0.37 N ATOM 2321 CA PHE B 59 148.337 6.753 -8.011 1.00 0.35 C ATOM 2322 C PHE B 59 149.658 7.517 -8.019 1.00 0.36 C ATOM 2323 O PHE B 59 150.011 8.188 -7.071 1.00 0.35 O ATOM 2324 CB PHE B 59 148.604 5.280 -7.692 1.00 0.35 C ATOM 2325 CG PHE B 59 149.268 5.176 -6.339 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.492 5.045 -5.182 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.665 5.217 -6.243 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.110 4.955 -3.929 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.283 5.126 -4.991 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.507 4.994 -3.834 1.00 0.37 C ATOM 0 H PHE B 59 147.606 6.006 -9.872 1.00 0.37 H new ATOM 0 HA PHE B 59 147.673 7.166 -7.252 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.669 4.720 -7.695 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.242 4.840 -8.458 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.415 5.013 -5.256 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.265 5.319 -7.135 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.510 4.856 -3.036 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.360 5.158 -4.917 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.985 4.922 -2.868 1.00 0.37 H new ATOM 2340 N ARG B 60 150.402 7.399 -9.085 1.00 0.38 N ATOM 2341 CA ARG B 60 151.715 8.095 -9.164 1.00 0.39 C ATOM 2342 C ARG B 60 151.520 9.606 -9.033 1.00 0.40 C ATOM 2343 O ARG B 60 152.170 10.255 -8.237 1.00 0.39 O ATOM 2344 CB ARG B 60 152.356 7.789 -10.529 1.00 0.43 C ATOM 2345 CG ARG B 60 152.883 6.338 -10.574 1.00 0.44 C ATOM 2346 CD ARG B 60 154.309 6.274 -10.023 1.00 0.51 C ATOM 2347 NE ARG B 60 155.204 7.206 -10.789 1.00 1.31 N ATOM 2348 CZ ARG B 60 155.386 7.089 -12.077 1.00 1.54 C ATOM 2349 NH1 ARG B 60 154.916 6.058 -12.725 1.00 1.15 N ATOM 2350 NH2 ARG B 60 156.085 7.987 -12.715 1.00 2.64 N ATOM 0 H ARG B 60 150.155 6.848 -9.907 1.00 0.38 H new ATOM 0 HA ARG B 60 152.357 7.747 -8.355 1.00 0.39 H new ATOM 0 HB2 ARG B 60 151.623 7.939 -11.322 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.175 8.484 -10.715 1.00 0.43 H new ATOM 0 HG2 ARG B 60 152.231 5.689 -9.990 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.865 5.969 -11.599 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.311 6.543 -8.967 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.688 5.255 -10.093 1.00 0.51 H new ATOM 0 HE ARG B 60 155.684 7.953 -10.288 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.401 5.333 -12.225 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.064 5.977 -13.731 1.00 1.15 H new ATOM 0 HH21 ARG B 60 156.486 8.776 -12.208 1.00 2.64 H new ATOM 0 HH22 ARG B 60 156.230 7.900 -13.721 1.00 2.64 H new ATOM 2364 N GLU B 61 150.638 10.176 -9.807 1.00 0.42 N ATOM 2365 CA GLU B 61 150.410 11.646 -9.730 1.00 0.44 C ATOM 2366 C GLU B 61 149.793 12.011 -8.376 1.00 0.42 C ATOM 2367 O GLU B 61 150.098 13.039 -7.806 1.00 0.43 O ATOM 2368 CB GLU B 61 149.451 12.061 -10.846 1.00 0.48 C ATOM 2369 CG GLU B 61 150.150 11.920 -12.199 1.00 1.30 C ATOM 2370 CD GLU B 61 149.174 12.289 -13.317 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.020 12.538 -13.009 1.00 2.38 O ATOM 2372 OE2 GLU B 61 149.597 12.315 -14.460 1.00 2.33 O ATOM 0 H GLU B 61 150.063 9.685 -10.492 1.00 0.42 H new ATOM 0 HA GLU B 61 151.362 12.164 -9.841 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.556 11.439 -10.821 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.128 13.091 -10.698 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.026 12.568 -12.237 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.504 10.898 -12.333 1.00 1.30 H new ATOM 2379 N TRP B 62 148.923 11.191 -7.863 1.00 0.40 N ATOM 2380 CA TRP B 62 148.286 11.516 -6.553 1.00 0.39 C ATOM 2381 C TRP B 62 149.331 11.567 -5.436 1.00 0.36 C ATOM 2382 O TRP B 62 149.361 12.486 -4.645 1.00 0.36 O ATOM 2383 CB TRP B 62 147.230 10.454 -6.208 1.00 0.38 C ATOM 2384 CG TRP B 62 146.740 10.670 -4.806 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.788 11.559 -4.439 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.177 10.010 -3.581 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.611 11.485 -3.067 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.445 10.544 -2.493 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.127 9.007 -3.311 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.651 10.098 -1.185 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.334 8.558 -1.997 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.598 9.103 -0.938 1.00 0.32 C ATOM 0 H TRP B 62 148.624 10.313 -8.289 1.00 0.40 H new ATOM 0 HA TRP B 62 147.814 12.495 -6.639 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.397 10.513 -6.909 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.658 9.456 -6.305 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.254 12.218 -5.107 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.946 12.055 -2.544 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.701 8.580 -4.120 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.081 10.520 -0.371 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.065 7.788 -1.802 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.763 8.753 0.070 1.00 0.32 H new ATOM 2403 N LEU B 63 150.177 10.585 -5.354 1.00 0.34 N ATOM 2404 CA LEU B 63 151.198 10.581 -4.270 1.00 0.32 C ATOM 2405 C LEU B 63 152.187 11.728 -4.487 1.00 0.33 C ATOM 2406 O LEU B 63 152.497 12.475 -3.581 1.00 0.32 O ATOM 2407 CB LEU B 63 151.951 9.243 -4.293 1.00 0.31 C ATOM 2408 CG LEU B 63 152.904 9.141 -3.087 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.118 8.851 -1.799 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.909 8.010 -3.332 1.00 0.32 C ATOM 0 H LEU B 63 150.209 9.786 -5.987 1.00 0.34 H new ATOM 0 HA LEU B 63 150.706 10.711 -3.306 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.239 8.418 -4.273 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.517 9.153 -5.220 1.00 0.31 H new ATOM 0 HG LEU B 63 153.427 10.090 -2.972 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.809 8.783 -0.959 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.406 9.656 -1.618 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.581 7.908 -1.905 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.586 7.934 -2.481 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.374 7.068 -3.456 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.483 8.222 -4.234 1.00 0.32 H new ATOM 2422 N LYS B 64 152.677 11.876 -5.682 1.00 0.35 N ATOM 2423 CA LYS B 64 153.641 12.975 -5.966 1.00 0.37 C ATOM 2424 C LYS B 64 152.963 14.329 -5.752 1.00 0.38 C ATOM 2425 O LYS B 64 153.492 15.209 -5.102 1.00 0.38 O ATOM 2426 CB LYS B 64 154.138 12.867 -7.408 1.00 0.41 C ATOM 2427 CG LYS B 64 155.148 13.985 -7.692 1.00 0.43 C ATOM 2428 CD LYS B 64 155.681 13.832 -9.113 1.00 0.68 C ATOM 2429 CE LYS B 64 156.580 15.023 -9.453 1.00 1.24 C ATOM 2430 NZ LYS B 64 157.179 14.822 -10.802 1.00 2.10 N ATOM 0 H LYS B 64 152.452 11.281 -6.480 1.00 0.35 H new ATOM 0 HA LYS B 64 154.490 12.890 -5.287 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.602 11.894 -7.571 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.298 12.939 -8.099 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.673 14.959 -7.572 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.969 13.940 -6.976 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.242 12.902 -9.204 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.853 13.775 -9.819 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.001 15.947 -9.434 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.367 15.124 -8.705 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 157.790 15.631 -11.034 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.744 13.949 -10.804 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.421 14.746 -11.510 1.00 2.10 H new ATOM 2444 N ASP B 65 151.798 14.499 -6.309 1.00 0.41 N ATOM 2445 CA ASP B 65 151.074 15.792 -6.162 1.00 0.44 C ATOM 2446 C ASP B 65 150.650 15.984 -4.708 1.00 0.43 C ATOM 2447 O ASP B 65 150.553 17.093 -4.220 1.00 0.45 O ATOM 2448 CB ASP B 65 149.832 15.787 -7.057 1.00 0.48 C ATOM 2449 CG ASP B 65 149.272 17.207 -7.162 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.337 17.924 -6.178 1.00 1.90 O ATOM 2451 OD2 ASP B 65 148.793 17.557 -8.229 1.00 1.41 O ATOM 0 H ASP B 65 151.313 13.794 -6.863 1.00 0.41 H new ATOM 0 HA ASP B 65 151.734 16.608 -6.456 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.086 15.411 -8.048 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.077 15.117 -6.646 1.00 0.48 H new ATOM 2456 N THR B 66 150.360 14.914 -4.020 1.00 0.39 N ATOM 2457 CA THR B 66 149.900 15.035 -2.609 1.00 0.39 C ATOM 2458 C THR B 66 151.080 15.244 -1.654 1.00 0.38 C ATOM 2459 O THR B 66 150.932 15.916 -0.654 1.00 0.40 O ATOM 2460 CB THR B 66 149.138 13.765 -2.216 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.024 13.601 -3.084 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.636 13.884 -0.775 1.00 0.38 C ATOM 0 H THR B 66 150.422 13.960 -4.375 1.00 0.39 H new ATOM 0 HA THR B 66 149.247 15.904 -2.533 1.00 0.39 H new ATOM 0 HB THR B 66 149.805 12.906 -2.297 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.201 12.866 -3.707 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.095 12.978 -0.502 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.485 14.016 -0.104 1.00 0.38 H new ATOM 0 HG23 THR B 66 147.970 14.743 -0.691 1.00 0.38 H new ATOM 2470 N CYS B 67 152.233 14.656 -1.903 1.00 0.36 N ATOM 2471 CA CYS B 67 153.382 14.814 -0.945 1.00 0.37 C ATOM 2472 C CYS B 67 154.663 15.257 -1.655 1.00 0.37 C ATOM 2473 O CYS B 67 155.529 15.865 -1.057 1.00 0.39 O ATOM 2474 CB CYS B 67 153.643 13.469 -0.265 1.00 0.36 C ATOM 2475 SG CYS B 67 154.193 12.263 -1.498 1.00 0.36 S ATOM 0 H CYS B 67 152.427 14.078 -2.721 1.00 0.36 H new ATOM 0 HA CYS B 67 153.112 15.582 -0.220 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.401 13.583 0.510 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.736 13.116 0.225 1.00 0.36 H new ATOM 0 HG CYS B 67 153.463 12.373 -2.568 1.00 0.36 H new ATOM 2481 N GLY B 68 154.805 14.946 -2.918 1.00 0.35 N ATOM 2482 CA GLY B 68 156.046 15.334 -3.659 1.00 0.36 C ATOM 2483 C GLY B 68 156.961 14.112 -3.757 1.00 0.34 C ATOM 2484 O GLY B 68 158.123 14.220 -4.095 1.00 0.33 O ATOM 0 H GLY B 68 154.114 14.439 -3.471 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.793 15.698 -4.655 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.556 16.147 -3.143 1.00 0.36 H new ATOM 2488 N ALA B 69 156.447 12.948 -3.461 1.00 0.32 N ATOM 2489 CA ALA B 69 157.287 11.719 -3.535 1.00 0.31 C ATOM 2490 C ALA B 69 157.971 11.653 -4.899 1.00 0.31 C ATOM 2491 O ALA B 69 157.484 12.188 -5.875 1.00 0.32 O ATOM 2492 CB ALA B 69 156.404 10.484 -3.348 1.00 0.31 C ATOM 0 H ALA B 69 155.481 12.796 -3.171 1.00 0.32 H new ATOM 0 HA ALA B 69 158.042 11.747 -2.749 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.019 9.586 -3.402 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.915 10.531 -2.375 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.649 10.455 -4.133 1.00 0.31 H new ATOM 2498 N ASN B 70 159.104 11.011 -4.976 1.00 0.29 N ATOM 2499 CA ASN B 70 159.827 10.919 -6.279 1.00 0.29 C ATOM 2500 C ASN B 70 159.417 9.639 -7.008 1.00 0.29 C ATOM 2501 O ASN B 70 158.673 8.827 -6.496 1.00 0.29 O ATOM 2502 CB ASN B 70 161.335 10.895 -6.021 1.00 0.29 C ATOM 2503 CG ASN B 70 162.081 11.051 -7.347 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.618 11.731 -8.240 1.00 1.91 O ATOM 2505 ND2 ASN B 70 163.224 10.444 -7.515 1.00 1.78 N ATOM 0 H ASN B 70 159.562 10.545 -4.193 1.00 0.29 H new ATOM 0 HA ASN B 70 159.573 11.782 -6.895 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.611 11.699 -5.339 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.618 9.959 -5.540 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.728 10.541 -8.396 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.613 9.873 -6.765 1.00 1.78 H new ATOM 2512 N ALA B 71 159.889 9.466 -8.210 1.00 0.31 N ATOM 2513 CA ALA B 71 159.526 8.256 -8.999 1.00 0.33 C ATOM 2514 C ALA B 71 159.969 6.983 -8.272 1.00 0.31 C ATOM 2515 O ALA B 71 159.307 5.973 -8.336 1.00 0.31 O ATOM 2516 CB ALA B 71 160.211 8.317 -10.364 1.00 0.38 C ATOM 0 H ALA B 71 160.516 10.116 -8.684 1.00 0.31 H new ATOM 0 HA ALA B 71 158.443 8.233 -9.122 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.947 7.432 -10.943 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.883 9.210 -10.896 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.292 8.352 -10.227 1.00 0.38 H new ATOM 2522 N LYS B 72 161.078 7.008 -7.591 1.00 0.29 N ATOM 2523 CA LYS B 72 161.523 5.766 -6.894 1.00 0.28 C ATOM 2524 C LYS B 72 160.652 5.506 -5.662 1.00 0.26 C ATOM 2525 O LYS B 72 160.314 4.379 -5.358 1.00 0.26 O ATOM 2526 CB LYS B 72 162.994 5.890 -6.486 1.00 0.28 C ATOM 2527 CG LYS B 72 163.155 6.997 -5.449 1.00 1.18 C ATOM 2528 CD LYS B 72 164.644 7.269 -5.225 1.00 1.28 C ATOM 2529 CE LYS B 72 164.818 8.232 -4.051 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.335 9.586 -4.446 1.00 2.57 N ATOM 0 H LYS B 72 161.689 7.818 -7.486 1.00 0.29 H new ATOM 0 HA LYS B 72 161.417 4.924 -7.578 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.348 4.943 -6.078 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.606 6.108 -7.361 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.655 7.904 -5.788 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.682 6.704 -4.512 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.168 6.335 -5.023 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.086 7.694 -6.126 1.00 1.28 H new ATOM 0 HE2 LYS B 72 164.260 7.873 -3.186 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.867 8.279 -3.757 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 164.484 10.251 -3.660 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.862 9.913 -5.281 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 163.321 9.540 -4.673 1.00 2.57 H new ATOM 2544 N GLN B 73 160.298 6.533 -4.938 1.00 0.25 N ATOM 2545 CA GLN B 73 159.466 6.339 -3.716 1.00 0.24 C ATOM 2546 C GLN B 73 158.063 5.862 -4.088 1.00 0.25 C ATOM 2547 O GLN B 73 157.483 5.031 -3.418 1.00 0.25 O ATOM 2548 CB GLN B 73 159.352 7.664 -2.953 1.00 0.26 C ATOM 2549 CG GLN B 73 160.703 8.044 -2.339 1.00 0.28 C ATOM 2550 CD GLN B 73 161.092 7.029 -1.262 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.281 6.664 -0.433 1.00 2.12 O ATOM 2552 NE2 GLN B 73 162.309 6.559 -1.234 1.00 1.89 N ATOM 0 H GLN B 73 160.550 7.500 -5.141 1.00 0.25 H new ATOM 0 HA GLN B 73 159.946 5.586 -3.091 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.017 8.452 -3.628 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.601 7.576 -2.168 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.468 8.075 -3.114 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.647 9.043 -1.906 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.990 6.865 -1.929 1.00 1.89 H new ATOM 0 HE22 GLN B 73 162.579 5.886 -0.517 1.00 1.89 H new ATOM 2561 N SER B 74 157.499 6.398 -5.133 1.00 0.26 N ATOM 2562 CA SER B 74 156.124 5.989 -5.521 1.00 0.27 C ATOM 2563 C SER B 74 156.118 4.548 -6.035 1.00 0.26 C ATOM 2564 O SER B 74 155.199 3.797 -5.771 1.00 0.26 O ATOM 2565 CB SER B 74 155.603 6.923 -6.608 1.00 0.30 C ATOM 2566 OG SER B 74 155.828 8.271 -6.216 1.00 1.36 O ATOM 0 H SER B 74 157.931 7.100 -5.734 1.00 0.26 H new ATOM 0 HA SER B 74 155.479 6.049 -4.644 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.107 6.718 -7.552 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.539 6.752 -6.771 1.00 0.30 H new ATOM 0 HG SER B 74 156.758 8.516 -6.405 1.00 1.36 H new ATOM 2572 N ARG B 75 157.127 4.141 -6.763 1.00 0.27 N ATOM 2573 CA ARG B 75 157.147 2.741 -7.273 1.00 0.27 C ATOM 2574 C ARG B 75 157.118 1.770 -6.097 1.00 0.26 C ATOM 2575 O ARG B 75 156.508 0.722 -6.172 1.00 0.26 O ATOM 2576 CB ARG B 75 158.399 2.507 -8.122 1.00 0.29 C ATOM 2577 CG ARG B 75 158.261 3.266 -9.447 1.00 0.32 C ATOM 2578 CD ARG B 75 159.562 3.153 -10.250 1.00 0.61 C ATOM 2579 NE ARG B 75 159.640 4.268 -11.253 1.00 1.35 N ATOM 2580 CZ ARG B 75 158.671 4.499 -12.100 1.00 1.82 C ATOM 2581 NH1 ARG B 75 157.690 3.651 -12.237 1.00 1.89 N ATOM 2582 NH2 ARG B 75 158.718 5.561 -12.859 1.00 2.81 N ATOM 0 H ARG B 75 157.930 4.713 -7.023 1.00 0.27 H new ATOM 0 HA ARG B 75 156.269 2.573 -7.897 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.285 2.847 -7.586 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.530 1.442 -8.312 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.430 2.860 -10.024 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.032 4.314 -9.254 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.419 3.195 -9.578 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.603 2.190 -10.759 1.00 0.61 H new ATOM 0 HE ARG B 75 160.470 4.860 -11.274 1.00 1.35 H new ATOM 0 HH11 ARG B 75 157.673 2.797 -11.680 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.940 3.842 -12.901 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.507 6.204 -12.789 1.00 2.81 H new ATOM 0 HH22 ARG B 75 157.966 5.748 -13.522 1.00 2.81 H new ATOM 2596 N ASP B 76 157.785 2.077 -5.015 1.00 0.24 N ATOM 2597 CA ASP B 76 157.803 1.144 -3.857 1.00 0.24 C ATOM 2598 C ASP B 76 156.422 1.069 -3.208 1.00 0.22 C ATOM 2599 O ASP B 76 155.976 0.008 -2.816 1.00 0.22 O ATOM 2600 CB ASP B 76 158.822 1.634 -2.826 1.00 0.23 C ATOM 2601 CG ASP B 76 160.236 1.447 -3.379 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.395 0.652 -4.292 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.138 2.100 -2.880 1.00 0.39 O ATOM 0 H ASP B 76 158.318 2.937 -4.886 1.00 0.24 H new ATOM 0 HA ASP B 76 158.079 0.151 -4.211 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.646 2.685 -2.596 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.708 1.080 -1.894 1.00 0.23 H new ATOM 2608 N CYS B 77 155.731 2.169 -3.088 1.00 0.22 N ATOM 2609 CA CYS B 77 154.382 2.121 -2.462 1.00 0.21 C ATOM 2610 C CYS B 77 153.405 1.392 -3.389 1.00 0.22 C ATOM 2611 O CYS B 77 152.569 0.635 -2.942 1.00 0.21 O ATOM 2612 CB CYS B 77 153.885 3.548 -2.227 1.00 0.22 C ATOM 2613 SG CYS B 77 154.857 4.317 -0.908 1.00 0.23 S ATOM 0 H CYS B 77 156.040 3.092 -3.394 1.00 0.22 H new ATOM 0 HA CYS B 77 154.443 1.589 -1.513 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.972 4.130 -3.144 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.829 3.537 -1.956 1.00 0.22 H new ATOM 0 HG CYS B 77 155.216 3.410 -0.048 1.00 0.23 H new ATOM 2619 N PHE B 78 153.480 1.617 -4.670 1.00 0.23 N ATOM 2620 CA PHE B 78 152.524 0.931 -5.581 1.00 0.25 C ATOM 2621 C PHE B 78 152.671 -0.585 -5.441 1.00 0.24 C ATOM 2622 O PHE B 78 151.736 -1.281 -5.097 1.00 0.23 O ATOM 2623 CB PHE B 78 152.823 1.345 -7.025 1.00 0.28 C ATOM 2624 CG PHE B 78 151.945 0.565 -7.973 1.00 0.32 C ATOM 2625 CD1 PHE B 78 152.387 -0.662 -8.482 1.00 0.38 C ATOM 2626 CD2 PHE B 78 150.691 1.066 -8.342 1.00 0.36 C ATOM 2627 CE1 PHE B 78 151.574 -1.388 -9.360 1.00 0.43 C ATOM 2628 CE2 PHE B 78 149.878 0.338 -9.220 1.00 0.40 C ATOM 2629 CZ PHE B 78 150.320 -0.890 -9.729 1.00 0.42 C ATOM 0 H PHE B 78 154.152 2.238 -5.121 1.00 0.23 H new ATOM 0 HA PHE B 78 151.504 1.215 -5.320 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.649 2.414 -7.150 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.873 1.164 -7.255 1.00 0.28 H new ATOM 0 HD1 PHE B 78 153.355 -1.048 -8.197 1.00 0.38 H new ATOM 0 HD2 PHE B 78 150.351 2.013 -7.950 1.00 0.36 H new ATOM 0 HE1 PHE B 78 151.915 -2.334 -9.753 1.00 0.43 H new ATOM 0 HE2 PHE B 78 148.910 0.723 -9.505 1.00 0.40 H new ATOM 0 HZ PHE B 78 149.693 -1.452 -10.406 1.00 0.42 H new ATOM 2639 N GLY B 79 153.834 -1.101 -5.721 1.00 0.25 N ATOM 2640 CA GLY B 79 154.050 -2.572 -5.624 1.00 0.25 C ATOM 2641 C GLY B 79 153.863 -3.057 -4.180 1.00 0.23 C ATOM 2642 O GLY B 79 153.414 -4.159 -3.943 1.00 0.24 O ATOM 0 H GLY B 79 154.650 -0.564 -6.015 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.351 -3.091 -6.280 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.054 -2.820 -5.968 1.00 0.25 H new ATOM 2646 N CYS B 80 154.205 -2.250 -3.217 1.00 0.22 N ATOM 2647 CA CYS B 80 154.045 -2.686 -1.796 1.00 0.21 C ATOM 2648 C CYS B 80 152.563 -2.742 -1.425 1.00 0.21 C ATOM 2649 O CYS B 80 152.088 -3.722 -0.886 1.00 0.22 O ATOM 2650 CB CYS B 80 154.761 -1.703 -0.871 1.00 0.22 C ATOM 2651 SG CYS B 80 154.593 -2.266 0.841 1.00 0.24 S ATOM 0 H CYS B 80 154.586 -1.313 -3.347 1.00 0.22 H new ATOM 0 HA CYS B 80 154.480 -3.679 -1.683 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.815 -1.632 -1.141 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.336 -0.705 -0.982 1.00 0.22 H new ATOM 0 HG CYS B 80 155.473 -3.193 1.081 1.00 0.24 H new ATOM 2657 N LEU B 81 151.821 -1.714 -1.723 1.00 0.21 N ATOM 2658 CA LEU B 81 150.369 -1.752 -1.394 1.00 0.21 C ATOM 2659 C LEU B 81 149.695 -2.766 -2.324 1.00 0.21 C ATOM 2660 O LEU B 81 148.828 -3.515 -1.921 1.00 0.22 O ATOM 2661 CB LEU B 81 149.751 -0.364 -1.604 1.00 0.22 C ATOM 2662 CG LEU B 81 150.438 0.670 -0.696 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.880 2.062 -1.012 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.178 0.339 0.783 1.00 0.28 C ATOM 0 H LEU B 81 152.150 -0.860 -2.174 1.00 0.21 H new ATOM 0 HA LEU B 81 150.226 -2.042 -0.353 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.854 -0.067 -2.648 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.684 -0.397 -1.386 1.00 0.22 H new ATOM 0 HG LEU B 81 151.513 0.647 -0.877 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.362 2.801 -0.372 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.075 2.304 -2.057 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.805 2.073 -0.832 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.670 1.079 1.414 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.105 0.354 0.976 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.574 -0.651 1.009 1.00 0.28 H new ATOM 2676 N ARG B 82 150.091 -2.791 -3.568 1.00 0.22 N ATOM 2677 CA ARG B 82 149.479 -3.753 -4.531 1.00 0.24 C ATOM 2678 C ARG B 82 149.738 -5.193 -4.074 1.00 0.25 C ATOM 2679 O ARG B 82 148.878 -6.047 -4.174 1.00 0.26 O ATOM 2680 CB ARG B 82 150.094 -3.537 -5.916 1.00 0.28 C ATOM 2681 CG ARG B 82 149.433 -4.470 -6.937 1.00 0.32 C ATOM 2682 CD ARG B 82 150.042 -4.209 -8.317 1.00 0.85 C ATOM 2683 NE ARG B 82 149.412 -5.113 -9.341 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.499 -6.413 -9.260 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.235 -6.973 -8.340 1.00 2.26 N ATOM 2686 NH2 ARG B 82 148.876 -7.159 -10.132 1.00 2.74 N ATOM 0 H ARG B 82 150.813 -2.186 -3.960 1.00 0.22 H new ATOM 0 HA ARG B 82 148.403 -3.584 -4.573 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.964 -2.499 -6.222 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.167 -3.726 -5.880 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.584 -5.510 -6.649 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.357 -4.299 -6.962 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.890 -3.167 -8.598 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.118 -4.377 -8.285 1.00 0.85 H new ATOM 0 HE ARG B 82 148.902 -4.698 -10.121 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.749 -6.394 -7.676 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.296 -7.990 -8.285 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.324 -6.726 -10.872 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.941 -8.175 -10.073 1.00 2.74 H new ATOM 2700 N GLU B 83 150.913 -5.477 -3.578 1.00 0.25 N ATOM 2701 CA GLU B 83 151.215 -6.867 -3.125 1.00 0.27 C ATOM 2702 C GLU B 83 150.434 -7.209 -1.852 1.00 0.27 C ATOM 2703 O GLU B 83 149.956 -8.315 -1.704 1.00 0.28 O ATOM 2704 CB GLU B 83 152.723 -7.033 -2.878 1.00 0.29 C ATOM 2705 CG GLU B 83 153.452 -7.187 -4.219 1.00 0.33 C ATOM 2706 CD GLU B 83 154.952 -7.353 -3.972 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.372 -7.158 -2.844 1.00 1.91 O ATOM 2708 OE2 GLU B 83 155.656 -7.675 -4.916 1.00 1.57 O ATOM 0 H GLU B 83 151.675 -4.809 -3.467 1.00 0.25 H new ATOM 0 HA GLU B 83 150.907 -7.554 -3.913 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.111 -6.168 -2.339 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.905 -7.906 -2.252 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.064 -8.051 -4.758 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.271 -6.313 -4.845 1.00 0.33 H new ATOM 2715 N TRP B 84 150.272 -6.289 -0.931 1.00 0.25 N ATOM 2716 CA TRP B 84 149.495 -6.618 0.298 1.00 0.25 C ATOM 2717 C TRP B 84 148.078 -7.006 -0.115 1.00 0.26 C ATOM 2718 O TRP B 84 147.495 -7.936 0.406 1.00 0.28 O ATOM 2719 CB TRP B 84 149.432 -5.402 1.229 1.00 0.25 C ATOM 2720 CG TRP B 84 148.701 -5.781 2.480 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.287 -6.271 3.597 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.270 -5.727 2.762 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.313 -6.517 4.544 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.055 -6.200 4.079 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.151 -5.317 2.014 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.779 -6.267 4.635 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.862 -5.382 2.571 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.676 -5.856 3.879 1.00 0.36 C ATOM 0 H TRP B 84 150.640 -5.339 -0.978 1.00 0.25 H new ATOM 0 HA TRP B 84 149.980 -7.440 0.825 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.439 -5.060 1.470 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.925 -4.574 0.733 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.345 -6.442 3.727 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.502 -6.888 5.475 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.283 -4.950 1.007 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.643 -6.633 5.642 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.009 -5.065 1.989 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.683 -5.903 4.301 1.00 0.36 H new ATOM 2739 N CYS B 85 147.512 -6.277 -1.039 1.00 0.27 N ATOM 2740 CA CYS B 85 146.122 -6.577 -1.477 1.00 0.30 C ATOM 2741 C CYS B 85 146.047 -7.984 -2.073 1.00 0.33 C ATOM 2742 O CYS B 85 145.105 -8.714 -1.845 1.00 0.36 O ATOM 2743 CB CYS B 85 145.692 -5.559 -2.535 1.00 0.33 C ATOM 2744 SG CYS B 85 145.471 -3.940 -1.761 1.00 0.33 S ATOM 0 H CYS B 85 147.954 -5.487 -1.509 1.00 0.27 H new ATOM 0 HA CYS B 85 145.459 -6.519 -0.614 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.443 -5.498 -3.322 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.762 -5.879 -3.006 1.00 0.33 H new ATOM 0 HG CYS B 85 146.629 -3.367 -1.616 1.00 0.33 H new ATOM 2750 N ASP B 86 147.028 -8.370 -2.837 1.00 0.34 N ATOM 2751 CA ASP B 86 147.003 -9.727 -3.449 1.00 0.40 C ATOM 2752 C ASP B 86 146.956 -10.792 -2.352 1.00 0.41 C ATOM 2753 O ASP B 86 146.432 -11.871 -2.545 1.00 0.43 O ATOM 2754 CB ASP B 86 148.255 -9.932 -4.307 1.00 0.42 C ATOM 2755 CG ASP B 86 148.168 -9.048 -5.553 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.068 -8.641 -5.891 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.202 -8.798 -6.150 1.00 0.52 O ATOM 0 H ASP B 86 147.846 -7.805 -3.065 1.00 0.34 H new ATOM 0 HA ASP B 86 146.116 -9.817 -4.076 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.147 -9.683 -3.733 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.344 -10.979 -4.596 1.00 0.42 H new ATOM 2762 N ALA B 87 147.516 -10.506 -1.206 1.00 0.40 N ATOM 2763 CA ALA B 87 147.520 -11.515 -0.104 1.00 0.43 C ATOM 2764 C ALA B 87 146.304 -11.329 0.811 1.00 0.43 C ATOM 2765 O ALA B 87 145.776 -12.284 1.345 1.00 0.47 O ATOM 2766 CB ALA B 87 148.797 -11.348 0.722 1.00 0.40 C ATOM 0 H ALA B 87 147.970 -9.620 -0.985 1.00 0.40 H new ATOM 0 HA ALA B 87 147.477 -12.512 -0.543 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.807 -12.081 1.529 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.666 -11.500 0.082 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.828 -10.344 1.144 1.00 0.40 H new ATOM 2772 N PHE B 88 145.885 -10.106 1.034 1.00 0.39 N ATOM 2773 CA PHE B 88 144.732 -9.849 1.964 1.00 0.44 C ATOM 2774 C PHE B 88 143.463 -9.411 1.221 1.00 0.54 C ATOM 2775 O PHE B 88 142.431 -9.233 1.838 1.00 1.24 O ATOM 2776 CB PHE B 88 145.124 -8.740 2.940 1.00 0.41 C ATOM 2777 CG PHE B 88 146.186 -9.240 3.890 1.00 0.38 C ATOM 2778 CD1 PHE B 88 147.540 -9.103 3.564 1.00 0.35 C ATOM 2779 CD2 PHE B 88 145.813 -9.835 5.101 1.00 0.43 C ATOM 2780 CE1 PHE B 88 148.522 -9.561 4.452 1.00 0.39 C ATOM 2781 CE2 PHE B 88 146.794 -10.295 5.987 1.00 0.46 C ATOM 2782 CZ PHE B 88 148.148 -10.157 5.662 1.00 0.44 C ATOM 0 H PHE B 88 146.291 -9.271 0.612 1.00 0.39 H new ATOM 0 HA PHE B 88 144.514 -10.784 2.481 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.494 -7.875 2.390 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.249 -8.411 3.500 1.00 0.41 H new ATOM 0 HD1 PHE B 88 147.827 -8.645 2.629 1.00 0.35 H new ATOM 0 HD2 PHE B 88 144.768 -9.939 5.352 1.00 0.43 H new ATOM 0 HE1 PHE B 88 149.567 -9.454 4.203 1.00 0.39 H new ATOM 0 HE2 PHE B 88 146.506 -10.756 6.920 1.00 0.46 H new ATOM 0 HZ PHE B 88 148.905 -10.511 6.346 1.00 0.44 H new ATOM 2792 N LEU B 89 143.502 -9.229 -0.079 1.00 0.39 N ATOM 2793 CA LEU B 89 142.264 -8.797 -0.813 1.00 0.36 C ATOM 2794 C LEU B 89 141.630 -10.011 -1.499 1.00 0.87 C ATOM 2795 O LEU B 89 141.362 -9.923 -2.685 1.00 1.43 O ATOM 2796 CB LEU B 89 142.632 -7.734 -1.864 1.00 0.74 C ATOM 2797 CG LEU B 89 141.398 -6.880 -2.223 1.00 0.47 C ATOM 2798 CD1 LEU B 89 141.096 -5.858 -1.105 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.663 -6.129 -3.534 1.00 1.27 C ATOM 2800 OXT LEU B 89 141.424 -11.008 -0.825 1.00 1.67 O ATOM 0 H LEU B 89 144.329 -9.359 -0.661 1.00 0.39 H new ATOM 0 HA LEU B 89 141.551 -8.369 -0.108 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.426 -7.093 -1.480 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.019 -8.219 -2.760 1.00 0.74 H new ATOM 0 HG LEU B 89 140.539 -7.541 -2.336 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.222 -5.267 -1.379 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.899 -6.387 -0.172 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.954 -5.198 -0.974 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.792 -5.525 -3.790 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.531 -5.481 -3.413 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.854 -6.846 -4.332 1.00 1.27 H new TER 2812 LEU B 89