USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= 0.294 X(o=0.29,f=-0.0011) USER MOD Set 1.2: A 74 TYR OH : rot 150:sc= -0.0011 USER MOD Set 2.1: A 24 THR OG1 : rot 9:sc= 0.194 USER MOD Set 2.2: A 27 SER OG : rot 36:sc= 0.35 USER MOD Single : A 1 MET CE :methyl -116:sc= -0.82 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.115 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 4 THR OG1 : rot 146:sc= 0.47 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 16 CYS SG : rot -90:sc= -1.85! USER MOD Single : A 22 THR OG1 : rot -27:sc= 1.17 USER MOD Single : A 28 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-8.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0.473 (180deg=0.367) USER MOD Single : A 61 THR OG1 : rot 83:sc= 0.477 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.0258 F(o=-0.74,f=0.026) USER MOD Single : A 65 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.51) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00967 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 1.07 (180deg=0.196) USER MOD Single : A 96 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.4) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc=-0.00217 X(o=-0.0022,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.32) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.742 18.837 6.772 1.00 0.00 N ATOM 2 CA MET A 1 -2.822 18.518 5.334 1.00 0.00 C ATOM 3 C MET A 1 -3.296 17.073 5.145 1.00 0.00 C ATOM 4 O MET A 1 -3.423 16.320 6.119 1.00 0.00 O ATOM 5 CB MET A 1 -1.447 18.729 4.646 1.00 0.00 C ATOM 6 CG MET A 1 -0.323 17.809 5.151 1.00 0.00 C ATOM 7 SD MET A 1 1.219 18.017 4.227 1.00 0.00 S ATOM 8 CE MET A 1 0.747 17.435 2.594 1.00 0.00 C ATOM 0 H1 MET A 1 -3.439 19.574 7.003 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.944 17.982 7.329 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.787 19.180 6.999 1.00 0.00 H new ATOM 0 HA MET A 1 -3.541 19.192 4.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.567 18.577 3.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.141 19.765 4.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.140 18.012 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.648 16.771 5.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.322 16.543 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.316 17.195 2.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.948 18.214 1.858 1.00 0.00 H new ATOM 20 N THR A 2 -3.577 16.710 3.889 1.00 0.00 N ATOM 21 CA THR A 2 -3.779 15.309 3.488 1.00 0.00 C ATOM 22 C THR A 2 -2.387 14.674 3.269 1.00 0.00 C ATOM 23 O THR A 2 -1.576 15.193 2.499 1.00 0.00 O ATOM 24 CB THR A 2 -4.695 15.190 2.209 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.769 13.831 1.755 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.252 16.099 1.047 1.00 0.00 C ATOM 0 H THR A 2 -3.671 17.375 3.122 1.00 0.00 H new ATOM 0 HA THR A 2 -4.308 14.770 4.274 1.00 0.00 H new ATOM 0 HB THR A 2 -5.682 15.530 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.343 13.782 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.927 15.964 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.277 17.140 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.238 15.837 0.746 1.00 0.00 H new ATOM 34 N SER A 3 -2.096 13.597 4.009 1.00 0.00 N ATOM 35 CA SER A 3 -0.761 12.970 4.045 1.00 0.00 C ATOM 36 C SER A 3 -0.645 11.835 2.999 1.00 0.00 C ATOM 37 O SER A 3 -1.592 11.573 2.243 1.00 0.00 O ATOM 38 CB SER A 3 -0.505 12.437 5.483 1.00 0.00 C ATOM 39 OG SER A 3 0.815 11.960 5.649 1.00 0.00 O ATOM 0 H SER A 3 -2.781 13.131 4.604 1.00 0.00 H new ATOM 0 HA SER A 3 -0.004 13.711 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.695 13.233 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.210 11.635 5.702 1.00 0.00 H new ATOM 0 HG SER A 3 0.933 11.636 6.567 1.00 0.00 H new ATOM 45 N THR A 4 0.544 11.187 2.962 1.00 0.00 N ATOM 46 CA THR A 4 0.811 10.012 2.107 1.00 0.00 C ATOM 47 C THR A 4 -0.170 8.868 2.427 1.00 0.00 C ATOM 48 O THR A 4 -0.684 8.224 1.516 1.00 0.00 O ATOM 49 CB THR A 4 2.287 9.513 2.271 1.00 0.00 C ATOM 50 OG1 THR A 4 3.196 10.593 1.970 1.00 0.00 O ATOM 51 CG2 THR A 4 2.592 8.308 1.354 1.00 0.00 C ATOM 0 H THR A 4 1.345 11.468 3.527 1.00 0.00 H new ATOM 0 HA THR A 4 0.666 10.321 1.072 1.00 0.00 H new ATOM 0 HB THR A 4 2.418 9.187 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.991 10.519 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.625 7.993 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.923 7.484 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.443 8.596 0.313 1.00 0.00 H new ATOM 59 N PHE A 5 -0.447 8.674 3.734 1.00 0.00 N ATOM 60 CA PHE A 5 -1.428 7.675 4.201 1.00 0.00 C ATOM 61 C PHE A 5 -2.824 7.964 3.624 1.00 0.00 C ATOM 62 O PHE A 5 -3.490 7.052 3.146 1.00 0.00 O ATOM 63 CB PHE A 5 -1.496 7.597 5.755 1.00 0.00 C ATOM 64 CG PHE A 5 -2.668 6.741 6.258 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.680 5.356 6.072 1.00 0.00 C ATOM 66 CD2 PHE A 5 -3.799 7.334 6.837 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.772 4.600 6.446 1.00 0.00 C ATOM 68 CE2 PHE A 5 -4.880 6.569 7.223 1.00 0.00 C ATOM 69 CZ PHE A 5 -4.871 5.204 7.017 1.00 0.00 C ATOM 0 H PHE A 5 -0.002 9.200 4.486 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.087 6.706 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.561 7.184 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.587 8.604 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.823 4.871 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.824 8.404 6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.765 3.531 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.735 7.039 7.687 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.726 4.609 7.304 1.00 0.00 H new ATOM 79 N ASP A 6 -3.239 9.235 3.682 1.00 0.00 N ATOM 80 CA ASP A 6 -4.555 9.687 3.183 1.00 0.00 C ATOM 81 C ASP A 6 -4.701 9.428 1.679 1.00 0.00 C ATOM 82 O ASP A 6 -5.797 9.089 1.206 1.00 0.00 O ATOM 83 CB ASP A 6 -4.758 11.187 3.482 1.00 0.00 C ATOM 84 CG ASP A 6 -4.817 11.498 4.982 1.00 0.00 C ATOM 85 OD1 ASP A 6 -3.751 11.511 5.639 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.924 11.710 5.514 1.00 0.00 O ATOM 0 H ASP A 6 -2.673 9.986 4.077 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.322 9.112 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.944 11.755 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.681 11.524 3.010 1.00 0.00 H new ATOM 91 N ARG A 7 -3.591 9.591 0.943 1.00 0.00 N ATOM 92 CA ARG A 7 -3.539 9.315 -0.501 1.00 0.00 C ATOM 93 C ARG A 7 -3.677 7.804 -0.792 1.00 0.00 C ATOM 94 O ARG A 7 -4.466 7.409 -1.646 1.00 0.00 O ATOM 95 CB ARG A 7 -2.229 9.841 -1.112 1.00 0.00 C ATOM 96 CG ARG A 7 -2.007 11.363 -1.034 1.00 0.00 C ATOM 97 CD ARG A 7 -3.188 12.189 -1.607 1.00 0.00 C ATOM 98 NE ARG A 7 -2.812 13.557 -2.015 1.00 0.00 N ATOM 99 CZ ARG A 7 -2.163 14.469 -1.271 1.00 0.00 C ATOM 100 NH1 ARG A 7 -1.769 14.218 -0.027 1.00 0.00 N ATOM 101 NH2 ARG A 7 -1.938 15.664 -1.775 1.00 0.00 N ATOM 0 H ARG A 7 -2.706 9.917 1.331 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.381 9.834 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.395 9.347 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.195 9.543 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.846 11.646 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.097 11.618 -1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.603 11.664 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.977 12.247 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.072 13.840 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.957 13.308 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.279 14.935 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.255 15.888 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.447 16.366 -1.222 1.00 0.00 H new ATOM 115 N VAL A 8 -2.901 6.975 -0.066 1.00 0.00 N ATOM 116 CA VAL A 8 -2.976 5.489 -0.159 1.00 0.00 C ATOM 117 C VAL A 8 -4.393 5.001 0.210 1.00 0.00 C ATOM 118 O VAL A 8 -4.935 4.071 -0.391 1.00 0.00 O ATOM 119 CB VAL A 8 -1.926 4.801 0.791 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.023 3.257 0.733 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.498 5.276 0.458 1.00 0.00 C ATOM 0 H VAL A 8 -2.205 7.307 0.601 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.748 5.212 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.161 5.101 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.282 2.820 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.020 2.943 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.835 2.919 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.212 4.789 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.261 5.019 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.435 6.357 0.587 1.00 0.00 H new ATOM 131 N ALA A 9 -4.974 5.689 1.195 1.00 0.00 N ATOM 132 CA ALA A 9 -6.299 5.395 1.730 1.00 0.00 C ATOM 133 C ALA A 9 -7.387 5.632 0.669 1.00 0.00 C ATOM 134 O ALA A 9 -8.233 4.766 0.450 1.00 0.00 O ATOM 135 CB ALA A 9 -6.551 6.245 2.984 1.00 0.00 C ATOM 0 H ALA A 9 -4.524 6.483 1.651 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.342 4.342 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.542 6.023 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.798 6.014 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.493 7.302 2.725 1.00 0.00 H new ATOM 141 N THR A 10 -7.340 6.800 -0.011 1.00 0.00 N ATOM 142 CA THR A 10 -8.319 7.145 -1.059 1.00 0.00 C ATOM 143 C THR A 10 -8.095 6.308 -2.346 1.00 0.00 C ATOM 144 O THR A 10 -9.029 6.144 -3.141 1.00 0.00 O ATOM 145 CB THR A 10 -8.334 8.682 -1.383 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.449 8.997 -2.238 1.00 0.00 O ATOM 147 CG2 THR A 10 -7.040 9.179 -2.044 1.00 0.00 C ATOM 0 H THR A 10 -6.633 7.518 0.150 1.00 0.00 H new ATOM 0 HA THR A 10 -9.301 6.893 -0.659 1.00 0.00 H new ATOM 0 HB THR A 10 -8.425 9.193 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.451 9.957 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.119 10.248 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.197 8.993 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.884 8.648 -2.983 1.00 0.00 H new ATOM 155 N ILE A 11 -6.856 5.788 -2.541 1.00 0.00 N ATOM 156 CA ILE A 11 -6.569 4.766 -3.570 1.00 0.00 C ATOM 157 C ILE A 11 -7.431 3.528 -3.285 1.00 0.00 C ATOM 158 O ILE A 11 -8.275 3.166 -4.094 1.00 0.00 O ATOM 159 CB ILE A 11 -5.036 4.354 -3.617 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.146 5.516 -4.164 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.805 3.045 -4.425 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.452 5.934 -5.590 1.00 0.00 C ATOM 0 H ILE A 11 -6.040 6.064 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.809 5.194 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.733 4.156 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.264 6.382 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.101 5.213 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.742 2.803 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.361 2.229 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.150 3.184 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.785 6.745 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.305 5.085 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.486 6.273 -5.656 1.00 0.00 H new ATOM 174 N ILE A 12 -7.255 2.961 -2.083 1.00 0.00 N ATOM 175 CA ILE A 12 -7.907 1.700 -1.675 1.00 0.00 C ATOM 176 C ILE A 12 -9.439 1.874 -1.577 1.00 0.00 C ATOM 177 O ILE A 12 -10.197 0.922 -1.825 1.00 0.00 O ATOM 178 CB ILE A 12 -7.295 1.200 -0.311 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.758 0.967 -0.477 1.00 0.00 C ATOM 180 CG2 ILE A 12 -8.000 -0.078 0.223 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.016 0.575 0.785 1.00 0.00 C ATOM 0 H ILE A 12 -6.656 3.362 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.718 0.943 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.463 1.977 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.605 0.188 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.311 1.879 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.541 -0.381 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.057 0.131 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.897 -0.882 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.959 0.438 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.128 1.361 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.427 -0.357 1.174 1.00 0.00 H new ATOM 193 N ALA A 13 -9.887 3.099 -1.243 1.00 0.00 N ATOM 194 CA ALA A 13 -11.302 3.473 -1.166 1.00 0.00 C ATOM 195 C ALA A 13 -12.003 3.320 -2.524 1.00 0.00 C ATOM 196 O ALA A 13 -13.017 2.641 -2.630 1.00 0.00 O ATOM 197 CB ALA A 13 -11.448 4.910 -0.632 1.00 0.00 C ATOM 0 H ALA A 13 -9.258 3.869 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.791 2.791 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.504 5.173 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.009 4.975 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.934 5.601 -1.301 1.00 0.00 H new ATOM 203 N GLU A 14 -11.440 3.946 -3.562 1.00 0.00 N ATOM 204 CA GLU A 14 -12.017 3.913 -4.916 1.00 0.00 C ATOM 205 C GLU A 14 -11.756 2.559 -5.616 1.00 0.00 C ATOM 206 O GLU A 14 -12.602 2.068 -6.368 1.00 0.00 O ATOM 207 CB GLU A 14 -11.452 5.087 -5.753 1.00 0.00 C ATOM 208 CG GLU A 14 -11.620 6.488 -5.105 1.00 0.00 C ATOM 209 CD GLU A 14 -13.078 6.848 -4.766 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.810 7.322 -5.666 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.505 6.650 -3.604 1.00 0.00 O ATOM 0 H GLU A 14 -10.578 4.487 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.098 4.024 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.392 4.910 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.943 5.091 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.024 6.529 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.218 7.241 -5.783 1.00 0.00 H new ATOM 218 N THR A 15 -10.584 1.957 -5.338 1.00 0.00 N ATOM 219 CA THR A 15 -10.143 0.698 -5.960 1.00 0.00 C ATOM 220 C THR A 15 -10.955 -0.500 -5.434 1.00 0.00 C ATOM 221 O THR A 15 -11.649 -1.181 -6.199 1.00 0.00 O ATOM 222 CB THR A 15 -8.612 0.471 -5.692 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.865 1.561 -6.256 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.080 -0.848 -6.271 1.00 0.00 C ATOM 0 H THR A 15 -9.913 2.335 -4.670 1.00 0.00 H new ATOM 0 HA THR A 15 -10.313 0.775 -7.034 1.00 0.00 H new ATOM 0 HB THR A 15 -8.487 0.420 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.863 2.315 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.017 -0.940 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.618 -1.684 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.228 -0.857 -7.351 1.00 0.00 H new ATOM 232 N CYS A 16 -10.882 -0.731 -4.118 1.00 0.00 N ATOM 233 CA CYS A 16 -11.482 -1.902 -3.463 1.00 0.00 C ATOM 234 C CYS A 16 -12.873 -1.595 -2.875 1.00 0.00 C ATOM 235 O CYS A 16 -13.466 -2.465 -2.228 1.00 0.00 O ATOM 236 CB CYS A 16 -10.505 -2.399 -2.377 1.00 0.00 C ATOM 237 SG CYS A 16 -8.857 -2.777 -3.013 1.00 0.00 S ATOM 0 H CYS A 16 -10.401 -0.106 -3.471 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.643 -2.684 -4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.421 -1.640 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.919 -3.292 -1.908 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.808 -4.024 -3.377 1.00 0.00 H new ATOM 243 N ASP A 17 -13.381 -0.359 -3.107 1.00 0.00 N ATOM 244 CA ASP A 17 -14.710 0.106 -2.622 1.00 0.00 C ATOM 245 C ASP A 17 -14.859 -0.018 -1.094 1.00 0.00 C ATOM 246 O ASP A 17 -15.955 -0.254 -0.577 1.00 0.00 O ATOM 247 CB ASP A 17 -15.872 -0.596 -3.381 1.00 0.00 C ATOM 248 CG ASP A 17 -16.108 0.005 -4.774 1.00 0.00 C ATOM 249 OD1 ASP A 17 -16.692 1.111 -4.860 1.00 0.00 O ATOM 250 OD2 ASP A 17 -15.695 -0.596 -5.790 1.00 0.00 O ATOM 0 H ASP A 17 -12.878 0.350 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.771 1.171 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.649 -1.658 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.787 -0.516 -2.794 1.00 0.00 H new ATOM 255 N ILE A 18 -13.746 0.175 -0.379 1.00 0.00 N ATOM 256 CA ILE A 18 -13.718 0.152 1.091 1.00 0.00 C ATOM 257 C ILE A 18 -13.898 1.595 1.614 1.00 0.00 C ATOM 258 O ILE A 18 -13.134 2.472 1.206 1.00 0.00 O ATOM 259 CB ILE A 18 -12.365 -0.474 1.614 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.189 -1.917 1.042 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.295 -0.477 3.166 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.880 -2.600 1.411 1.00 0.00 C ATOM 0 H ILE A 18 -12.835 0.352 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.531 -0.472 1.463 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.544 0.148 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.015 -2.534 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.265 -1.873 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.350 -0.915 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.364 0.546 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.121 -1.064 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.851 -3.595 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.044 -2.011 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.806 -2.683 2.495 1.00 0.00 H new ATOM 274 N PRO A 19 -14.925 1.873 2.491 1.00 0.00 N ATOM 275 CA PRO A 19 -15.148 3.223 3.073 1.00 0.00 C ATOM 276 C PRO A 19 -13.879 3.797 3.756 1.00 0.00 C ATOM 277 O PRO A 19 -13.164 3.073 4.448 1.00 0.00 O ATOM 278 CB PRO A 19 -16.296 2.997 4.095 1.00 0.00 C ATOM 279 CG PRO A 19 -17.017 1.791 3.575 1.00 0.00 C ATOM 280 CD PRO A 19 -15.946 0.906 2.972 1.00 0.00 C ATOM 0 HA PRO A 19 -15.395 3.961 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.908 2.827 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.956 3.863 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.547 1.275 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.761 2.070 2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.531 0.219 3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.339 0.299 2.156 1.00 0.00 H new ATOM 288 N ARG A 20 -13.608 5.095 3.532 1.00 0.00 N ATOM 289 CA ARG A 20 -12.443 5.797 4.111 1.00 0.00 C ATOM 290 C ARG A 20 -12.492 5.777 5.662 1.00 0.00 C ATOM 291 O ARG A 20 -11.448 5.706 6.329 1.00 0.00 O ATOM 292 CB ARG A 20 -12.391 7.258 3.572 1.00 0.00 C ATOM 293 CG ARG A 20 -11.245 8.117 4.160 1.00 0.00 C ATOM 294 CD ARG A 20 -9.838 7.578 3.823 1.00 0.00 C ATOM 295 NE ARG A 20 -8.859 7.913 4.877 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.016 8.962 4.884 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.992 9.840 3.884 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.193 9.127 5.909 1.00 0.00 N ATOM 0 H ARG A 20 -14.191 5.690 2.943 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.534 5.277 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.287 7.229 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.342 7.746 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.335 9.136 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.357 8.166 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.883 6.496 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.506 7.995 2.872 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.818 7.286 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.622 9.726 3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.344 10.627 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.202 8.462 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.550 9.919 5.924 1.00 0.00 H new ATOM 312 N GLU A 21 -13.725 5.817 6.213 1.00 0.00 N ATOM 313 CA GLU A 21 -13.984 5.747 7.674 1.00 0.00 C ATOM 314 C GLU A 21 -13.586 4.368 8.265 1.00 0.00 C ATOM 315 O GLU A 21 -13.226 4.274 9.446 1.00 0.00 O ATOM 316 CB GLU A 21 -15.479 6.062 7.970 1.00 0.00 C ATOM 317 CG GLU A 21 -16.474 5.125 7.259 1.00 0.00 C ATOM 318 CD GLU A 21 -17.942 5.430 7.597 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.456 4.900 8.610 1.00 0.00 O ATOM 320 OE2 GLU A 21 -18.583 6.205 6.858 1.00 0.00 O ATOM 0 H GLU A 21 -14.576 5.899 5.656 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.361 6.498 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.645 6.002 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.688 7.089 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.332 5.206 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.252 4.094 7.534 1.00 0.00 H new ATOM 327 N THR A 22 -13.651 3.303 7.433 1.00 0.00 N ATOM 328 CA THR A 22 -13.259 1.933 7.849 1.00 0.00 C ATOM 329 C THR A 22 -11.757 1.695 7.596 1.00 0.00 C ATOM 330 O THR A 22 -11.145 0.804 8.198 1.00 0.00 O ATOM 331 CB THR A 22 -14.128 0.835 7.133 1.00 0.00 C ATOM 332 OG1 THR A 22 -13.914 0.844 5.715 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.630 1.052 7.401 1.00 0.00 C ATOM 0 H THR A 22 -13.972 3.365 6.467 1.00 0.00 H new ATOM 0 HA THR A 22 -13.447 1.849 8.919 1.00 0.00 H new ATOM 0 HB THR A 22 -13.818 -0.126 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.647 1.743 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.206 0.278 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.819 1.001 8.473 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.929 2.031 7.026 1.00 0.00 H new ATOM 341 N ILE A 23 -11.173 2.515 6.703 1.00 0.00 N ATOM 342 CA ILE A 23 -9.735 2.506 6.415 1.00 0.00 C ATOM 343 C ILE A 23 -8.979 3.177 7.581 1.00 0.00 C ATOM 344 O ILE A 23 -9.272 4.319 7.946 1.00 0.00 O ATOM 345 CB ILE A 23 -9.446 3.240 5.051 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.048 2.419 3.863 1.00 0.00 C ATOM 347 CG2 ILE A 23 -7.938 3.512 4.844 1.00 0.00 C ATOM 348 CD1 ILE A 23 -9.948 3.082 2.503 1.00 0.00 C ATOM 0 H ILE A 23 -11.692 3.205 6.160 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.387 1.478 6.317 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.933 4.215 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.543 1.454 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.098 2.220 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.787 4.019 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.567 4.142 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.395 2.567 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.393 2.433 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.479 4.034 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.900 3.256 2.259 1.00 0.00 H new ATOM 360 N THR A 24 -8.031 2.434 8.170 1.00 0.00 N ATOM 361 CA THR A 24 -7.238 2.868 9.335 1.00 0.00 C ATOM 362 C THR A 24 -5.758 2.495 9.121 1.00 0.00 C ATOM 363 O THR A 24 -5.461 1.596 8.324 1.00 0.00 O ATOM 364 CB THR A 24 -7.753 2.179 10.645 1.00 0.00 C ATOM 365 OG1 THR A 24 -7.844 0.767 10.430 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.115 2.717 11.111 1.00 0.00 C ATOM 0 H THR A 24 -7.788 1.498 7.846 1.00 0.00 H new ATOM 0 HA THR A 24 -7.342 3.948 9.438 1.00 0.00 H new ATOM 0 HB THR A 24 -7.036 2.406 11.434 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.427 0.539 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.418 2.201 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.036 3.786 11.309 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.859 2.546 10.333 1.00 0.00 H new ATOM 374 N PRO A 25 -4.791 3.183 9.814 1.00 0.00 N ATOM 375 CA PRO A 25 -3.368 2.779 9.794 1.00 0.00 C ATOM 376 C PRO A 25 -3.158 1.346 10.337 1.00 0.00 C ATOM 377 O PRO A 25 -2.307 0.608 9.835 1.00 0.00 O ATOM 378 CB PRO A 25 -2.667 3.842 10.686 1.00 0.00 C ATOM 379 CG PRO A 25 -3.598 5.012 10.666 1.00 0.00 C ATOM 380 CD PRO A 25 -4.985 4.415 10.618 1.00 0.00 C ATOM 0 HA PRO A 25 -2.963 2.746 8.782 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.514 3.472 11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.686 4.107 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.468 5.634 11.552 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.413 5.648 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.362 4.191 11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.700 5.093 10.152 1.00 0.00 H new ATOM 388 N GLU A 26 -4.006 0.948 11.308 1.00 0.00 N ATOM 389 CA GLU A 26 -3.871 -0.335 12.032 1.00 0.00 C ATOM 390 C GLU A 26 -4.299 -1.539 11.166 1.00 0.00 C ATOM 391 O GLU A 26 -3.793 -2.645 11.360 1.00 0.00 O ATOM 392 CB GLU A 26 -4.711 -0.317 13.339 1.00 0.00 C ATOM 393 CG GLU A 26 -6.230 -0.188 13.125 1.00 0.00 C ATOM 394 CD GLU A 26 -7.027 -0.174 14.433 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.152 0.907 15.049 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.509 -1.245 14.866 1.00 0.00 O ATOM 0 H GLU A 26 -4.804 1.506 11.613 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.815 -0.450 12.275 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.513 -1.233 13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.374 0.512 13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.436 0.729 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.574 -1.017 12.507 1.00 0.00 H new ATOM 403 N SER A 27 -5.228 -1.311 10.217 1.00 0.00 N ATOM 404 CA SER A 27 -5.834 -2.394 9.423 1.00 0.00 C ATOM 405 C SER A 27 -4.839 -2.962 8.389 1.00 0.00 C ATOM 406 O SER A 27 -4.310 -2.230 7.551 1.00 0.00 O ATOM 407 CB SER A 27 -7.132 -1.899 8.736 1.00 0.00 C ATOM 408 OG SER A 27 -6.921 -0.704 8.002 1.00 0.00 O ATOM 0 H SER A 27 -5.575 -0.381 9.982 1.00 0.00 H new ATOM 0 HA SER A 27 -6.093 -3.206 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.507 -2.674 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.900 -1.730 9.491 1.00 0.00 H new ATOM 0 HG SER A 27 -6.033 -0.727 7.588 1.00 0.00 H new ATOM 414 N HIS A 28 -4.535 -4.260 8.538 1.00 0.00 N ATOM 415 CA HIS A 28 -3.834 -5.062 7.525 1.00 0.00 C ATOM 416 C HIS A 28 -4.753 -5.258 6.308 1.00 0.00 C ATOM 417 O HIS A 28 -5.929 -5.613 6.482 1.00 0.00 O ATOM 418 CB HIS A 28 -3.432 -6.432 8.125 1.00 0.00 C ATOM 419 CG HIS A 28 -2.495 -7.261 7.267 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.903 -7.858 6.108 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.200 -7.572 7.481 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.848 -8.516 5.654 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.793 -8.376 6.456 1.00 0.00 N ATOM 0 H HIS A 28 -4.773 -4.789 9.377 1.00 0.00 H new ATOM 0 HA HIS A 28 -2.929 -4.544 7.208 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.959 -6.263 9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.338 -7.010 8.309 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.595 -7.244 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.843 -9.096 4.743 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.132 -8.787 6.329 1.00 0.00 H new ATOM 431 N ALA A 29 -4.237 -4.966 5.099 1.00 0.00 N ATOM 432 CA ALA A 29 -4.975 -5.163 3.834 1.00 0.00 C ATOM 433 C ALA A 29 -5.607 -6.566 3.733 1.00 0.00 C ATOM 434 O ALA A 29 -6.823 -6.685 3.622 1.00 0.00 O ATOM 435 CB ALA A 29 -4.056 -4.906 2.634 1.00 0.00 C ATOM 0 H ALA A 29 -3.299 -4.588 4.970 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.792 -4.441 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.614 -5.055 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.685 -3.882 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.215 -5.598 2.665 1.00 0.00 H new ATOM 441 N ILE A 30 -4.779 -7.618 3.823 1.00 0.00 N ATOM 442 CA ILE A 30 -5.244 -9.008 3.631 1.00 0.00 C ATOM 443 C ILE A 30 -6.082 -9.494 4.833 1.00 0.00 C ATOM 444 O ILE A 30 -7.154 -10.072 4.646 1.00 0.00 O ATOM 445 CB ILE A 30 -4.048 -10.002 3.348 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.232 -9.526 2.097 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.545 -11.464 3.181 1.00 0.00 C ATOM 448 CD1 ILE A 30 -2.148 -10.482 1.624 1.00 0.00 C ATOM 0 H ILE A 30 -3.783 -7.537 4.027 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.883 -9.004 2.748 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.386 -9.992 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.927 -9.355 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.771 -8.566 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.694 -12.118 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.048 -11.784 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.242 -11.518 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.644 -10.059 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.424 -10.636 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.598 -11.437 1.353 1.00 0.00 H new ATOM 460 N ASP A 31 -5.607 -9.218 6.056 1.00 0.00 N ATOM 461 CA ASP A 31 -6.244 -9.734 7.285 1.00 0.00 C ATOM 462 C ASP A 31 -7.543 -8.961 7.607 1.00 0.00 C ATOM 463 O ASP A 31 -8.637 -9.539 7.567 1.00 0.00 O ATOM 464 CB ASP A 31 -5.256 -9.669 8.477 1.00 0.00 C ATOM 465 CG ASP A 31 -5.824 -10.262 9.783 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.719 -11.493 9.986 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.371 -9.503 10.613 1.00 0.00 O ATOM 0 H ASP A 31 -4.783 -8.640 6.225 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.511 -10.777 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.344 -10.204 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.977 -8.630 8.651 1.00 0.00 H new ATOM 472 N ASP A 32 -7.412 -7.650 7.897 1.00 0.00 N ATOM 473 CA ASP A 32 -8.533 -6.808 8.389 1.00 0.00 C ATOM 474 C ASP A 32 -9.499 -6.387 7.264 1.00 0.00 C ATOM 475 O ASP A 32 -10.718 -6.509 7.414 1.00 0.00 O ATOM 476 CB ASP A 32 -8.001 -5.554 9.118 1.00 0.00 C ATOM 477 CG ASP A 32 -7.234 -5.887 10.406 1.00 0.00 C ATOM 478 OD1 ASP A 32 -7.870 -6.033 11.476 1.00 0.00 O ATOM 479 OD2 ASP A 32 -6.000 -6.001 10.366 1.00 0.00 O ATOM 0 H ASP A 32 -6.532 -7.143 7.799 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.095 -7.425 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.346 -5.000 8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.838 -4.899 9.360 1.00 0.00 H new ATOM 484 N LEU A 33 -8.956 -5.874 6.145 1.00 0.00 N ATOM 485 CA LEU A 33 -9.785 -5.391 5.011 1.00 0.00 C ATOM 486 C LEU A 33 -10.274 -6.565 4.134 1.00 0.00 C ATOM 487 O LEU A 33 -11.328 -6.469 3.491 1.00 0.00 O ATOM 488 CB LEU A 33 -8.990 -4.371 4.157 1.00 0.00 C ATOM 489 CG LEU A 33 -8.500 -3.078 4.883 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.760 -2.147 3.898 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.665 -2.342 5.601 1.00 0.00 C ATOM 0 H LEU A 33 -7.951 -5.781 5.996 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.663 -4.894 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.119 -4.879 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.615 -4.072 3.315 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.794 -3.378 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.427 -1.252 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.896 -2.668 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.434 -1.863 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.282 -1.448 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.421 -2.057 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.110 -3.003 6.344 1.00 0.00 H new ATOM 503 N GLY A 34 -9.497 -7.663 4.116 1.00 0.00 N ATOM 504 CA GLY A 34 -9.846 -8.870 3.355 1.00 0.00 C ATOM 505 C GLY A 34 -9.462 -8.789 1.879 1.00 0.00 C ATOM 506 O GLY A 34 -10.070 -9.450 1.036 1.00 0.00 O ATOM 0 H GLY A 34 -8.616 -7.736 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.350 -9.730 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.919 -9.043 3.435 1.00 0.00 H new ATOM 510 N ILE A 35 -8.444 -7.976 1.572 1.00 0.00 N ATOM 511 CA ILE A 35 -7.918 -7.794 0.204 1.00 0.00 C ATOM 512 C ILE A 35 -6.970 -8.956 -0.148 1.00 0.00 C ATOM 513 O ILE A 35 -6.120 -9.317 0.652 1.00 0.00 O ATOM 514 CB ILE A 35 -7.152 -6.423 0.079 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.082 -5.246 0.516 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.599 -6.208 -1.354 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.402 -3.889 0.597 1.00 0.00 C ATOM 0 H ILE A 35 -7.954 -7.418 2.271 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.757 -7.786 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.292 -6.449 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.913 -5.178 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.508 -5.482 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.077 -5.252 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.907 -7.013 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.424 -6.207 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.127 -3.137 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.590 -3.932 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.001 -3.624 -0.381 1.00 0.00 H new ATOM 529 N ASP A 36 -7.133 -9.544 -1.337 1.00 0.00 N ATOM 530 CA ASP A 36 -6.243 -10.617 -1.837 1.00 0.00 C ATOM 531 C ASP A 36 -5.088 -9.982 -2.633 1.00 0.00 C ATOM 532 O ASP A 36 -5.257 -8.886 -3.164 1.00 0.00 O ATOM 533 CB ASP A 36 -7.058 -11.601 -2.716 1.00 0.00 C ATOM 534 CG ASP A 36 -6.264 -12.853 -3.115 1.00 0.00 C ATOM 535 OD1 ASP A 36 -6.235 -13.830 -2.335 1.00 0.00 O ATOM 536 OD2 ASP A 36 -5.641 -12.858 -4.190 1.00 0.00 O ATOM 0 H ASP A 36 -7.881 -9.296 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.822 -11.179 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.955 -11.904 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.388 -11.085 -3.618 1.00 0.00 H new ATOM 541 N SER A 37 -3.919 -10.654 -2.719 1.00 0.00 N ATOM 542 CA SER A 37 -2.745 -10.146 -3.466 1.00 0.00 C ATOM 543 C SER A 37 -3.007 -9.955 -4.983 1.00 0.00 C ATOM 544 O SER A 37 -2.243 -9.251 -5.643 1.00 0.00 O ATOM 545 CB SER A 37 -1.516 -11.049 -3.234 1.00 0.00 C ATOM 546 OG SER A 37 -1.159 -11.090 -1.860 1.00 0.00 O ATOM 0 H SER A 37 -3.762 -11.559 -2.276 1.00 0.00 H new ATOM 0 HA SER A 37 -2.542 -9.152 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.731 -12.058 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.674 -10.679 -3.820 1.00 0.00 H new ATOM 0 HG SER A 37 -0.378 -11.671 -1.742 1.00 0.00 H new ATOM 552 N LEU A 38 -4.095 -10.550 -5.531 1.00 0.00 N ATOM 553 CA LEU A 38 -4.476 -10.368 -6.951 1.00 0.00 C ATOM 554 C LEU A 38 -5.301 -9.075 -7.105 1.00 0.00 C ATOM 555 O LEU A 38 -5.246 -8.389 -8.133 1.00 0.00 O ATOM 556 CB LEU A 38 -5.294 -11.581 -7.467 1.00 0.00 C ATOM 557 CG LEU A 38 -4.646 -12.996 -7.301 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.492 -14.083 -8.011 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.180 -13.011 -7.773 1.00 0.00 C ATOM 0 H LEU A 38 -4.724 -11.160 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.566 -10.293 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.255 -11.586 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.501 -11.425 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.636 -13.232 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.019 -15.056 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.493 -14.105 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.561 -13.854 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.766 -14.011 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.134 -12.735 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.601 -12.298 -7.185 1.00 0.00 H new ATOM 571 N ASP A 39 -6.068 -8.778 -6.051 1.00 0.00 N ATOM 572 CA ASP A 39 -6.896 -7.562 -5.944 1.00 0.00 C ATOM 573 C ASP A 39 -6.018 -6.353 -5.534 1.00 0.00 C ATOM 574 O ASP A 39 -6.310 -5.200 -5.874 1.00 0.00 O ATOM 575 CB ASP A 39 -8.012 -7.821 -4.899 1.00 0.00 C ATOM 576 CG ASP A 39 -9.024 -6.672 -4.768 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.977 -6.614 -5.575 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.881 -5.825 -3.862 1.00 0.00 O ATOM 0 H ASP A 39 -6.135 -9.383 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.350 -7.327 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.545 -8.732 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.552 -7.999 -3.927 1.00 0.00 H new ATOM 583 N PHE A 40 -4.923 -6.656 -4.812 1.00 0.00 N ATOM 584 CA PHE A 40 -3.955 -5.662 -4.313 1.00 0.00 C ATOM 585 C PHE A 40 -3.084 -5.132 -5.475 1.00 0.00 C ATOM 586 O PHE A 40 -2.478 -4.068 -5.359 1.00 0.00 O ATOM 587 CB PHE A 40 -3.080 -6.275 -3.180 1.00 0.00 C ATOM 588 CG PHE A 40 -2.395 -5.248 -2.267 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.178 -4.666 -2.610 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.981 -4.855 -1.065 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.569 -3.736 -1.793 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.370 -3.924 -0.247 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.169 -3.369 -0.613 1.00 0.00 C ATOM 0 H PHE A 40 -4.683 -7.613 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.501 -4.818 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.706 -6.924 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.314 -6.905 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.700 -4.949 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.927 -5.284 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.376 -3.298 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.838 -3.633 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.694 -2.642 0.029 1.00 0.00 H new ATOM 603 N LEU A 41 -3.004 -5.909 -6.579 1.00 0.00 N ATOM 604 CA LEU A 41 -2.302 -5.489 -7.814 1.00 0.00 C ATOM 605 C LEU A 41 -2.878 -4.146 -8.324 1.00 0.00 C ATOM 606 O LEU A 41 -2.127 -3.246 -8.705 1.00 0.00 O ATOM 607 CB LEU A 41 -2.442 -6.572 -8.923 1.00 0.00 C ATOM 608 CG LEU A 41 -1.792 -7.962 -8.626 1.00 0.00 C ATOM 609 CD1 LEU A 41 -2.182 -9.014 -9.693 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.261 -7.846 -8.504 1.00 0.00 C ATOM 0 H LEU A 41 -3.421 -6.838 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.245 -5.363 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.503 -6.726 -9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.004 -6.179 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.183 -8.304 -7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.711 -9.967 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.265 -9.137 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.845 -8.680 -10.674 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.163 -8.829 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.150 -7.462 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.011 -7.165 -7.691 1.00 0.00 H new ATOM 622 N ASP A 42 -4.227 -4.029 -8.282 1.00 0.00 N ATOM 623 CA ASP A 42 -4.965 -2.809 -8.693 1.00 0.00 C ATOM 624 C ASP A 42 -4.631 -1.623 -7.766 1.00 0.00 C ATOM 625 O ASP A 42 -4.507 -0.485 -8.225 1.00 0.00 O ATOM 626 CB ASP A 42 -6.497 -3.063 -8.692 1.00 0.00 C ATOM 627 CG ASP A 42 -6.926 -4.162 -9.678 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.874 -5.356 -9.309 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.296 -3.839 -10.838 1.00 0.00 O ATOM 0 H ASP A 42 -4.837 -4.781 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.651 -2.559 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.813 -3.342 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.013 -2.136 -8.943 1.00 0.00 H new ATOM 634 N ILE A 43 -4.482 -1.912 -6.460 1.00 0.00 N ATOM 635 CA ILE A 43 -4.082 -0.904 -5.447 1.00 0.00 C ATOM 636 C ILE A 43 -2.685 -0.356 -5.762 1.00 0.00 C ATOM 637 O ILE A 43 -2.493 0.861 -5.877 1.00 0.00 O ATOM 638 CB ILE A 43 -4.082 -1.521 -3.997 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.518 -1.968 -3.605 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.470 -0.562 -2.933 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.617 -2.616 -2.240 1.00 0.00 C ATOM 0 H ILE A 43 -4.633 -2.844 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.810 -0.094 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.435 -2.398 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.176 -1.100 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.885 -2.669 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.497 -1.040 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.437 -0.336 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.047 0.362 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.652 -2.898 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.988 -3.505 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.283 -1.912 -1.478 1.00 0.00 H new ATOM 653 N ALA A 44 -1.739 -1.296 -5.950 1.00 0.00 N ATOM 654 CA ALA A 44 -0.319 -0.995 -6.179 1.00 0.00 C ATOM 655 C ALA A 44 -0.135 -0.191 -7.478 1.00 0.00 C ATOM 656 O ALA A 44 0.604 0.789 -7.503 1.00 0.00 O ATOM 657 CB ALA A 44 0.489 -2.300 -6.213 1.00 0.00 C ATOM 0 H ALA A 44 -1.945 -2.295 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 44 0.051 -0.380 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.541 -2.072 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.380 -2.821 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.121 -2.935 -7.019 1.00 0.00 H new ATOM 663 N PHE A 45 -0.908 -0.574 -8.513 1.00 0.00 N ATOM 664 CA PHE A 45 -0.872 0.063 -9.847 1.00 0.00 C ATOM 665 C PHE A 45 -1.412 1.502 -9.794 1.00 0.00 C ATOM 666 O PHE A 45 -0.877 2.402 -10.458 1.00 0.00 O ATOM 667 CB PHE A 45 -1.682 -0.786 -10.868 1.00 0.00 C ATOM 668 CG PHE A 45 -1.655 -0.259 -12.301 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.450 -0.140 -12.991 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.825 0.116 -12.957 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.417 0.342 -14.285 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.792 0.596 -14.250 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.588 0.707 -14.917 1.00 0.00 C ATOM 0 H PHE A 45 -1.580 -1.339 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 45 0.167 0.110 -10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.293 -1.804 -10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.718 -0.839 -10.534 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.471 -0.429 -12.507 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.772 0.030 -12.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.526 0.433 -14.803 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.709 0.885 -14.741 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.563 1.079 -15.931 1.00 0.00 H new ATOM 683 N ALA A 46 -2.474 1.704 -8.999 1.00 0.00 N ATOM 684 CA ALA A 46 -3.092 3.031 -8.810 1.00 0.00 C ATOM 685 C ALA A 46 -2.150 3.964 -8.011 1.00 0.00 C ATOM 686 O ALA A 46 -2.148 5.177 -8.214 1.00 0.00 O ATOM 687 CB ALA A 46 -4.449 2.892 -8.112 1.00 0.00 C ATOM 0 H ALA A 46 -2.928 0.959 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.256 3.480 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.893 3.879 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.110 2.276 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.311 2.423 -7.138 1.00 0.00 H new ATOM 693 N ILE A 47 -1.356 3.357 -7.111 1.00 0.00 N ATOM 694 CA ILE A 47 -0.317 4.054 -6.324 1.00 0.00 C ATOM 695 C ILE A 47 0.861 4.488 -7.230 1.00 0.00 C ATOM 696 O ILE A 47 1.375 5.614 -7.093 1.00 0.00 O ATOM 697 CB ILE A 47 0.177 3.131 -5.135 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.955 2.999 -4.063 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.506 3.628 -4.505 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.741 1.913 -3.029 1.00 0.00 C ATOM 0 H ILE A 47 -1.416 2.360 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.749 4.958 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 47 0.393 2.145 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.058 3.954 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.898 2.810 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.798 2.959 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.287 3.640 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.368 4.635 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.580 1.903 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.671 0.946 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.182 2.108 -2.483 1.00 0.00 H new ATOM 712 N ASP A 48 1.253 3.599 -8.167 1.00 0.00 N ATOM 713 CA ASP A 48 2.291 3.889 -9.188 1.00 0.00 C ATOM 714 C ASP A 48 1.952 5.165 -9.976 1.00 0.00 C ATOM 715 O ASP A 48 2.822 6.005 -10.231 1.00 0.00 O ATOM 716 CB ASP A 48 2.450 2.703 -10.187 1.00 0.00 C ATOM 717 CG ASP A 48 3.265 1.530 -9.628 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.494 1.660 -9.521 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.702 0.460 -9.350 1.00 0.00 O ATOM 0 H ASP A 48 0.861 2.660 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 48 3.230 4.034 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.461 2.344 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.930 3.067 -11.096 1.00 0.00 H new ATOM 724 N LYS A 49 0.666 5.292 -10.331 1.00 0.00 N ATOM 725 CA LYS A 49 0.145 6.412 -11.134 1.00 0.00 C ATOM 726 C LYS A 49 -0.005 7.693 -10.286 1.00 0.00 C ATOM 727 O LYS A 49 0.471 8.769 -10.678 1.00 0.00 O ATOM 728 CB LYS A 49 -1.219 6.012 -11.757 1.00 0.00 C ATOM 729 CG LYS A 49 -1.152 4.762 -12.666 1.00 0.00 C ATOM 730 CD LYS A 49 -2.537 4.250 -13.113 1.00 0.00 C ATOM 731 CE LYS A 49 -3.314 5.273 -13.954 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.671 4.784 -14.309 1.00 0.00 N ATOM 0 H LYS A 49 -0.050 4.615 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 49 0.859 6.628 -11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.933 5.827 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.602 6.851 -12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.558 4.997 -13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.633 3.964 -12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.410 3.335 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.124 3.992 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.399 6.208 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.757 5.491 -14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.162 5.504 -14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.590 3.905 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.212 4.600 -13.440 1.00 0.00 H new ATOM 746 N ALA A 50 -0.637 7.540 -9.105 1.00 0.00 N ATOM 747 CA ALA A 50 -1.041 8.674 -8.246 1.00 0.00 C ATOM 748 C ALA A 50 0.177 9.441 -7.719 1.00 0.00 C ATOM 749 O ALA A 50 0.267 10.667 -7.861 1.00 0.00 O ATOM 750 CB ALA A 50 -1.905 8.176 -7.073 1.00 0.00 C ATOM 0 H ALA A 50 -0.882 6.628 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.630 9.359 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.195 9.022 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.799 7.688 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.334 7.465 -6.477 1.00 0.00 H new ATOM 756 N PHE A 51 1.123 8.691 -7.137 1.00 0.00 N ATOM 757 CA PHE A 51 2.344 9.252 -6.529 1.00 0.00 C ATOM 758 C PHE A 51 3.442 9.447 -7.591 1.00 0.00 C ATOM 759 O PHE A 51 4.324 10.285 -7.420 1.00 0.00 O ATOM 760 CB PHE A 51 2.854 8.326 -5.397 1.00 0.00 C ATOM 761 CG PHE A 51 1.858 8.102 -4.258 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.857 7.139 -4.355 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.944 8.836 -3.076 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.026 6.920 -3.320 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.057 8.618 -2.044 1.00 0.00 C ATOM 766 CZ PHE A 51 0.081 7.654 -2.165 1.00 0.00 C ATOM 0 H PHE A 51 1.066 7.675 -7.073 1.00 0.00 H new ATOM 0 HA PHE A 51 2.099 10.226 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.117 7.360 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.769 8.750 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.771 6.553 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.715 9.584 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.800 6.173 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.127 9.204 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.603 7.475 -1.348 1.00 0.00 H new ATOM 776 N GLY A 52 3.366 8.659 -8.683 1.00 0.00 N ATOM 777 CA GLY A 52 4.349 8.726 -9.769 1.00 0.00 C ATOM 778 C GLY A 52 5.656 8.038 -9.402 1.00 0.00 C ATOM 779 O GLY A 52 6.733 8.472 -9.806 1.00 0.00 O ATOM 0 H GLY A 52 2.630 7.969 -8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.933 8.260 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.546 9.769 -10.015 1.00 0.00 H new ATOM 783 N ILE A 53 5.538 6.961 -8.617 1.00 0.00 N ATOM 784 CA ILE A 53 6.679 6.179 -8.092 1.00 0.00 C ATOM 785 C ILE A 53 6.555 4.717 -8.545 1.00 0.00 C ATOM 786 O ILE A 53 5.542 4.334 -9.123 1.00 0.00 O ATOM 787 CB ILE A 53 6.719 6.227 -6.517 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.388 5.639 -5.929 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.994 7.667 -6.004 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.307 5.593 -4.421 1.00 0.00 C ATOM 0 H ILE A 53 4.633 6.596 -8.320 1.00 0.00 H new ATOM 0 HA ILE A 53 7.599 6.616 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 53 7.545 5.608 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.553 6.232 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.257 4.627 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.016 7.667 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.955 8.012 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.205 8.334 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.348 5.170 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.115 4.973 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.400 6.603 -4.021 1.00 0.00 H new ATOM 802 N LYS A 54 7.583 3.909 -8.262 1.00 0.00 N ATOM 803 CA LYS A 54 7.555 2.459 -8.482 1.00 0.00 C ATOM 804 C LYS A 54 7.271 1.763 -7.145 1.00 0.00 C ATOM 805 O LYS A 54 8.107 1.811 -6.241 1.00 0.00 O ATOM 806 CB LYS A 54 8.907 1.965 -9.076 1.00 0.00 C ATOM 807 CG LYS A 54 8.974 0.437 -9.346 1.00 0.00 C ATOM 808 CD LYS A 54 10.369 -0.034 -9.828 1.00 0.00 C ATOM 809 CE LYS A 54 10.805 0.625 -11.149 1.00 0.00 C ATOM 810 NZ LYS A 54 12.135 0.147 -11.594 1.00 0.00 N ATOM 0 H LYS A 54 8.463 4.245 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 54 6.770 2.216 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.093 2.494 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.710 2.235 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.711 -0.099 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.229 0.174 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.107 0.188 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.357 -1.116 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.066 0.413 -11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.832 1.707 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.391 0.615 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.845 0.372 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.103 -0.882 -11.740 1.00 0.00 H new ATOM 824 N LEU A 55 6.078 1.163 -7.004 1.00 0.00 N ATOM 825 CA LEU A 55 5.756 0.256 -5.895 1.00 0.00 C ATOM 826 C LEU A 55 5.988 -1.176 -6.415 1.00 0.00 C ATOM 827 O LEU A 55 5.173 -1.675 -7.199 1.00 0.00 O ATOM 828 CB LEU A 55 4.279 0.466 -5.390 1.00 0.00 C ATOM 829 CG LEU A 55 3.867 -0.273 -4.051 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.612 0.359 -3.426 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.633 -1.801 -4.220 1.00 0.00 C ATOM 0 H LEU A 55 5.308 1.295 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 55 6.391 0.455 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.117 1.535 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.601 0.141 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 55 4.723 -0.146 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.356 -0.171 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.808 1.407 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.782 0.290 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.354 -2.235 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.832 -1.969 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.548 -2.272 -4.579 1.00 0.00 H new ATOM 843 N PRO A 56 7.109 -1.857 -6.022 1.00 0.00 N ATOM 844 CA PRO A 56 7.355 -3.245 -6.421 1.00 0.00 C ATOM 845 C PRO A 56 6.633 -4.239 -5.487 1.00 0.00 C ATOM 846 O PRO A 56 7.216 -4.763 -4.533 1.00 0.00 O ATOM 847 CB PRO A 56 8.900 -3.343 -6.353 1.00 0.00 C ATOM 848 CG PRO A 56 9.285 -2.427 -5.229 1.00 0.00 C ATOM 849 CD PRO A 56 8.226 -1.330 -5.180 1.00 0.00 C ATOM 0 HA PRO A 56 6.968 -3.502 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.225 -4.366 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.359 -3.034 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.326 -2.969 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.275 -2.003 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.898 -1.139 -4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.610 -0.388 -5.573 1.00 0.00 H new ATOM 857 N LEU A 57 5.348 -4.489 -5.783 1.00 0.00 N ATOM 858 CA LEU A 57 4.532 -5.464 -5.038 1.00 0.00 C ATOM 859 C LEU A 57 5.034 -6.884 -5.327 1.00 0.00 C ATOM 860 O LEU A 57 4.961 -7.766 -4.470 1.00 0.00 O ATOM 861 CB LEU A 57 3.032 -5.345 -5.405 1.00 0.00 C ATOM 862 CG LEU A 57 2.078 -6.327 -4.653 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.113 -6.089 -3.124 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.645 -6.252 -5.219 1.00 0.00 C ATOM 0 H LEU A 57 4.847 -4.025 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 57 4.632 -5.250 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.706 -4.324 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.924 -5.510 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 57 2.439 -7.341 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.438 -6.789 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.127 -6.242 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.798 -5.068 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.003 -6.946 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.261 -5.238 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.657 -6.519 -6.276 1.00 0.00 H new ATOM 876 N GLU A 58 5.570 -7.069 -6.545 1.00 0.00 N ATOM 877 CA GLU A 58 6.206 -8.317 -6.978 1.00 0.00 C ATOM 878 C GLU A 58 7.386 -8.690 -6.051 1.00 0.00 C ATOM 879 O GLU A 58 7.602 -9.863 -5.749 1.00 0.00 O ATOM 880 CB GLU A 58 6.690 -8.174 -8.446 1.00 0.00 C ATOM 881 CG GLU A 58 7.740 -7.060 -8.678 1.00 0.00 C ATOM 882 CD GLU A 58 8.301 -7.038 -10.103 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.142 -7.904 -10.426 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.908 -6.166 -10.913 1.00 0.00 O ATOM 0 H GLU A 58 5.572 -6.345 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 58 5.472 -9.121 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.113 -9.125 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.826 -7.978 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.287 -6.093 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.562 -7.194 -7.974 1.00 0.00 H new ATOM 891 N LYS A 59 8.114 -7.661 -5.581 1.00 0.00 N ATOM 892 CA LYS A 59 9.248 -7.812 -4.662 1.00 0.00 C ATOM 893 C LYS A 59 8.748 -8.054 -3.233 1.00 0.00 C ATOM 894 O LYS A 59 9.224 -8.958 -2.560 1.00 0.00 O ATOM 895 CB LYS A 59 10.146 -6.541 -4.708 1.00 0.00 C ATOM 896 CG LYS A 59 11.193 -6.448 -3.572 1.00 0.00 C ATOM 897 CD LYS A 59 12.063 -5.178 -3.651 1.00 0.00 C ATOM 898 CE LYS A 59 12.979 -5.016 -2.425 1.00 0.00 C ATOM 899 NZ LYS A 59 13.831 -6.212 -2.185 1.00 0.00 N ATOM 0 H LYS A 59 7.926 -6.691 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 59 9.839 -8.673 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.666 -6.514 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.507 -5.659 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.680 -6.470 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.838 -7.326 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.672 -5.214 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.418 -4.304 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.616 -4.143 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.368 -4.827 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.554 -5.986 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.240 -6.996 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.295 -6.491 -3.073 1.00 0.00 H new ATOM 913 N TRP A 60 7.766 -7.242 -2.794 1.00 0.00 N ATOM 914 CA TRP A 60 7.289 -7.234 -1.389 1.00 0.00 C ATOM 915 C TRP A 60 6.583 -8.556 -1.023 1.00 0.00 C ATOM 916 O TRP A 60 6.742 -9.066 0.094 1.00 0.00 O ATOM 917 CB TRP A 60 6.368 -6.010 -1.142 1.00 0.00 C ATOM 918 CG TRP A 60 7.051 -4.664 -1.305 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.367 -4.414 -1.616 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.446 -3.383 -1.137 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.591 -3.072 -1.687 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.430 -2.412 -1.385 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.158 -2.958 -0.807 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.177 -1.053 -1.321 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.909 -1.600 -0.729 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.914 -0.662 -0.995 1.00 0.00 C ATOM 0 H TRP A 60 7.281 -6.576 -3.396 1.00 0.00 H new ATOM 0 HA TRP A 60 8.156 -7.147 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.525 -6.061 -1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.960 -6.076 -0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.117 -5.174 -1.781 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.479 -2.631 -1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.373 -3.675 -0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.953 -0.329 -1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.922 -1.257 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.683 0.392 -0.941 1.00 0.00 H new ATOM 937 N THR A 61 5.813 -9.091 -1.980 1.00 0.00 N ATOM 938 CA THR A 61 5.201 -10.422 -1.884 1.00 0.00 C ATOM 939 C THR A 61 6.291 -11.523 -1.894 1.00 0.00 C ATOM 940 O THR A 61 6.170 -12.516 -1.183 1.00 0.00 O ATOM 941 CB THR A 61 4.179 -10.644 -3.054 1.00 0.00 C ATOM 942 OG1 THR A 61 3.186 -9.600 -3.027 1.00 0.00 O ATOM 943 CG2 THR A 61 3.469 -12.015 -2.973 1.00 0.00 C ATOM 0 H THR A 61 5.596 -8.607 -2.851 1.00 0.00 H new ATOM 0 HA THR A 61 4.659 -10.485 -0.940 1.00 0.00 H new ATOM 0 HB THR A 61 4.746 -10.620 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.532 -8.808 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.774 -12.115 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.211 -12.812 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.921 -12.086 -2.033 1.00 0.00 H new ATOM 951 N GLN A 62 7.379 -11.309 -2.667 1.00 0.00 N ATOM 952 CA GLN A 62 8.518 -12.256 -2.784 1.00 0.00 C ATOM 953 C GLN A 62 9.301 -12.335 -1.452 1.00 0.00 C ATOM 954 O GLN A 62 9.799 -13.400 -1.075 1.00 0.00 O ATOM 955 CB GLN A 62 9.461 -11.811 -3.937 1.00 0.00 C ATOM 956 CG GLN A 62 10.572 -12.813 -4.329 1.00 0.00 C ATOM 957 CD GLN A 62 10.081 -14.070 -5.055 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.016 -13.956 -5.833 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 10.684 -15.136 -4.947 1.00 0.00 N flip ATOM 0 H GLN A 62 7.495 -10.468 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 62 8.125 -13.247 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.853 -11.609 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.932 -10.870 -3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.294 -12.302 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.102 -13.116 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.502 -15.200 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.366 -15.956 -5.463 1.00 0.00 H new ATOM 968 N GLU A 63 9.384 -11.184 -0.742 1.00 0.00 N ATOM 969 CA GLU A 63 9.983 -11.100 0.607 1.00 0.00 C ATOM 970 C GLU A 63 9.247 -12.050 1.571 1.00 0.00 C ATOM 971 O GLU A 63 9.865 -12.752 2.369 1.00 0.00 O ATOM 972 CB GLU A 63 9.912 -9.651 1.170 1.00 0.00 C ATOM 973 CG GLU A 63 10.546 -8.546 0.299 1.00 0.00 C ATOM 974 CD GLU A 63 12.041 -8.743 0.010 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.827 -8.878 0.972 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.446 -8.734 -1.177 1.00 0.00 O ATOM 0 H GLU A 63 9.037 -10.290 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 63 11.030 -11.391 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.864 -9.399 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.399 -9.639 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.009 -8.495 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.408 -7.586 0.796 1.00 0.00 H new ATOM 983 N VAL A 64 7.909 -12.071 1.455 1.00 0.00 N ATOM 984 CA VAL A 64 7.032 -12.948 2.253 1.00 0.00 C ATOM 985 C VAL A 64 7.252 -14.426 1.865 1.00 0.00 C ATOM 986 O VAL A 64 7.437 -15.291 2.739 1.00 0.00 O ATOM 987 CB VAL A 64 5.520 -12.553 2.056 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.568 -13.468 2.873 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.299 -11.056 2.388 1.00 0.00 C ATOM 0 H VAL A 64 7.401 -11.476 0.801 1.00 0.00 H new ATOM 0 HA VAL A 64 7.287 -12.820 3.305 1.00 0.00 H new ATOM 0 HB VAL A 64 5.272 -12.706 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.536 -13.160 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.694 -14.502 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.805 -13.385 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.248 -10.803 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.580 -10.868 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.912 -10.443 1.728 1.00 0.00 H new ATOM 999 N ASN A 65 7.265 -14.677 0.537 1.00 0.00 N ATOM 1000 CA ASN A 65 7.392 -16.031 -0.073 1.00 0.00 C ATOM 1001 C ASN A 65 8.712 -16.734 0.302 1.00 0.00 C ATOM 1002 O ASN A 65 8.777 -17.970 0.311 1.00 0.00 O ATOM 1003 CB ASN A 65 7.267 -15.950 -1.627 1.00 0.00 C ATOM 1004 CG ASN A 65 5.913 -15.417 -2.104 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.899 -15.572 -1.430 1.00 0.00 O ATOM 1006 ND2 ASN A 65 5.882 -14.790 -3.275 1.00 0.00 N ATOM 0 H ASN A 65 7.186 -13.935 -0.158 1.00 0.00 H new ATOM 0 HA ASN A 65 6.575 -16.628 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.058 -15.308 -2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.427 -16.942 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.000 -14.424 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.740 -14.675 -3.815 1.00 0.00 H new ATOM 1013 N ASP A 66 9.757 -15.940 0.575 1.00 0.00 N ATOM 1014 CA ASP A 66 11.103 -16.446 0.961 1.00 0.00 C ATOM 1015 C ASP A 66 11.344 -16.363 2.482 1.00 0.00 C ATOM 1016 O ASP A 66 12.354 -16.884 2.979 1.00 0.00 O ATOM 1017 CB ASP A 66 12.198 -15.642 0.198 1.00 0.00 C ATOM 1018 CG ASP A 66 12.332 -16.044 -1.277 1.00 0.00 C ATOM 1019 OD1 ASP A 66 11.438 -15.728 -2.090 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.335 -16.705 -1.633 1.00 0.00 O ATOM 0 H ASP A 66 9.703 -14.922 0.537 1.00 0.00 H new ATOM 0 HA ASP A 66 11.155 -17.500 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.965 -14.579 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.157 -15.787 0.695 1.00 0.00 H new ATOM 1025 N GLY A 67 10.430 -15.706 3.213 1.00 0.00 N ATOM 1026 CA GLY A 67 10.585 -15.500 4.663 1.00 0.00 C ATOM 1027 C GLY A 67 11.587 -14.396 5.010 1.00 0.00 C ATOM 1028 O GLY A 67 12.051 -14.303 6.152 1.00 0.00 O ATOM 0 H GLY A 67 9.575 -15.308 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.615 -15.251 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.908 -16.433 5.124 1.00 0.00 H new ATOM 1032 N LYS A 68 11.919 -13.569 3.998 1.00 0.00 N ATOM 1033 CA LYS A 68 12.785 -12.377 4.137 1.00 0.00 C ATOM 1034 C LYS A 68 12.043 -11.261 4.902 1.00 0.00 C ATOM 1035 O LYS A 68 12.670 -10.359 5.468 1.00 0.00 O ATOM 1036 CB LYS A 68 13.196 -11.870 2.727 1.00 0.00 C ATOM 1037 CG LYS A 68 13.858 -12.938 1.829 1.00 0.00 C ATOM 1038 CD LYS A 68 15.264 -13.375 2.311 1.00 0.00 C ATOM 1039 CE LYS A 68 16.329 -12.280 2.124 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.668 -12.718 2.586 1.00 0.00 N ATOM 0 H LYS A 68 11.588 -13.712 3.044 1.00 0.00 H new ATOM 0 HA LYS A 68 13.678 -12.649 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.310 -11.486 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.885 -11.033 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.211 -13.814 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.937 -12.548 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.212 -13.648 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.568 -14.268 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.382 -12.003 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.031 -11.387 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.354 -11.950 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.625 -12.958 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.966 -13.554 2.044 1.00 0.00 H new ATOM 1054 N ALA A 69 10.704 -11.347 4.890 1.00 0.00 N ATOM 1055 CA ALA A 69 9.809 -10.424 5.590 1.00 0.00 C ATOM 1056 C ALA A 69 8.439 -11.092 5.790 1.00 0.00 C ATOM 1057 O ALA A 69 8.164 -12.154 5.216 1.00 0.00 O ATOM 1058 CB ALA A 69 9.663 -9.092 4.822 1.00 0.00 C ATOM 0 H ALA A 69 10.206 -12.078 4.381 1.00 0.00 H new ATOM 0 HA ALA A 69 10.240 -10.191 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.992 -8.429 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.640 -8.619 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.253 -9.287 3.831 1.00 0.00 H new ATOM 1064 N THR A 70 7.597 -10.461 6.613 1.00 0.00 N ATOM 1065 CA THR A 70 6.215 -10.896 6.857 1.00 0.00 C ATOM 1066 C THR A 70 5.250 -10.024 6.047 1.00 0.00 C ATOM 1067 O THR A 70 5.591 -8.900 5.635 1.00 0.00 O ATOM 1068 CB THR A 70 5.850 -10.850 8.391 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.500 -11.304 8.603 1.00 0.00 O ATOM 1070 CG2 THR A 70 5.995 -9.444 8.997 1.00 0.00 C ATOM 0 H THR A 70 7.857 -9.624 7.135 1.00 0.00 H new ATOM 0 HA THR A 70 6.123 -11.933 6.535 1.00 0.00 H new ATOM 0 HB THR A 70 6.559 -11.510 8.891 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.290 -11.271 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.731 -9.474 10.054 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.026 -9.106 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.331 -8.753 8.477 1.00 0.00 H new ATOM 1078 N THR A 71 4.054 -10.571 5.828 1.00 0.00 N ATOM 1079 CA THR A 71 2.972 -9.903 5.107 1.00 0.00 C ATOM 1080 C THR A 71 2.548 -8.617 5.857 1.00 0.00 C ATOM 1081 O THR A 71 2.149 -7.624 5.242 1.00 0.00 O ATOM 1082 CB THR A 71 1.750 -10.876 4.958 1.00 0.00 C ATOM 1083 OG1 THR A 71 2.195 -12.202 4.629 1.00 0.00 O ATOM 1084 CG2 THR A 71 0.780 -10.409 3.879 1.00 0.00 C ATOM 0 H THR A 71 3.807 -11.506 6.152 1.00 0.00 H new ATOM 0 HA THR A 71 3.324 -9.626 4.113 1.00 0.00 H new ATOM 0 HB THR A 71 1.234 -10.880 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.420 -12.795 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.051 -11.111 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.399 -9.420 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.297 -10.362 2.921 1.00 0.00 H new ATOM 1092 N GLU A 72 2.674 -8.660 7.199 1.00 0.00 N ATOM 1093 CA GLU A 72 2.342 -7.538 8.093 1.00 0.00 C ATOM 1094 C GLU A 72 3.245 -6.312 7.836 1.00 0.00 C ATOM 1095 O GLU A 72 2.776 -5.174 7.880 1.00 0.00 O ATOM 1096 CB GLU A 72 2.459 -7.996 9.574 1.00 0.00 C ATOM 1097 CG GLU A 72 1.963 -6.972 10.614 1.00 0.00 C ATOM 1098 CD GLU A 72 2.200 -7.411 12.068 1.00 0.00 C ATOM 1099 OE1 GLU A 72 1.368 -8.161 12.624 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.229 -7.014 12.657 1.00 0.00 O ATOM 0 H GLU A 72 3.013 -9.484 7.695 1.00 0.00 H new ATOM 0 HA GLU A 72 1.316 -7.234 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.894 -8.920 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.503 -8.229 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.466 -6.020 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.897 -6.801 10.464 1.00 0.00 H new ATOM 1107 N GLN A 73 4.531 -6.560 7.525 1.00 0.00 N ATOM 1108 CA GLN A 73 5.550 -5.496 7.385 1.00 0.00 C ATOM 1109 C GLN A 73 5.222 -4.532 6.222 1.00 0.00 C ATOM 1110 O GLN A 73 5.617 -3.367 6.248 1.00 0.00 O ATOM 1111 CB GLN A 73 6.963 -6.113 7.187 1.00 0.00 C ATOM 1112 CG GLN A 73 8.114 -5.077 7.102 1.00 0.00 C ATOM 1113 CD GLN A 73 9.493 -5.699 6.870 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.210 -6.028 7.816 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.885 -5.845 5.611 1.00 0.00 N ATOM 0 H GLN A 73 4.895 -7.499 7.364 1.00 0.00 H new ATOM 0 HA GLN A 73 5.540 -4.917 8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.166 -6.795 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.960 -6.709 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.901 -4.378 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.138 -4.499 8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.268 -5.563 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.803 -6.239 5.405 1.00 0.00 H new ATOM 1124 N TYR A 74 4.529 -5.040 5.191 1.00 0.00 N ATOM 1125 CA TYR A 74 4.142 -4.227 4.021 1.00 0.00 C ATOM 1126 C TYR A 74 2.629 -3.928 4.018 1.00 0.00 C ATOM 1127 O TYR A 74 2.223 -2.776 4.153 1.00 0.00 O ATOM 1128 CB TYR A 74 4.581 -4.935 2.711 1.00 0.00 C ATOM 1129 CG TYR A 74 6.106 -5.118 2.607 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.945 -4.008 2.469 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.704 -6.384 2.648 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.313 -4.151 2.378 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.073 -6.527 2.556 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.873 -5.411 2.418 1.00 0.00 C ATOM 1135 OH TYR A 74 10.241 -5.551 2.328 1.00 0.00 O ATOM 0 H TYR A 74 4.223 -6.012 5.141 1.00 0.00 H new ATOM 0 HA TYR A 74 4.656 -3.268 4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.099 -5.911 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.231 -4.355 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.513 -3.019 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.084 -7.262 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.944 -3.280 2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.518 -7.510 2.592 1.00 0.00 H new ATOM 0 HH TYR A 74 10.522 -6.349 2.824 1.00 0.00 H new ATOM 1145 N PHE A 75 1.814 -4.989 3.894 1.00 0.00 N ATOM 1146 CA PHE A 75 0.361 -4.906 3.597 1.00 0.00 C ATOM 1147 C PHE A 75 -0.485 -4.148 4.657 1.00 0.00 C ATOM 1148 O PHE A 75 -1.593 -3.714 4.326 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.216 -6.330 3.342 1.00 0.00 C ATOM 1150 CG PHE A 75 0.273 -7.001 2.049 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.567 -7.521 1.946 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.571 -7.122 0.943 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.997 -8.141 0.785 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.138 -7.742 -0.218 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.145 -8.248 -0.298 1.00 0.00 C ATOM 0 H PHE A 75 2.145 -5.948 3.998 1.00 0.00 H new ATOM 0 HA PHE A 75 0.282 -4.300 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.043 -6.968 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.304 -6.266 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.242 -7.438 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.575 -6.727 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.998 -8.541 0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.805 -7.830 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.482 -8.727 -1.206 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.007 -3.993 5.919 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.705 -3.112 6.900 1.00 0.00 C ATOM 1167 C VAL A 76 -0.621 -1.659 6.411 1.00 0.00 C ATOM 1168 O VAL A 76 0.459 -1.210 6.078 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.138 -3.201 8.363 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.933 -2.290 9.329 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.135 -4.647 8.879 1.00 0.00 C ATOM 0 H VAL A 76 0.832 -4.450 6.276 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.736 -3.461 6.953 1.00 0.00 H new ATOM 0 HB VAL A 76 0.893 -2.850 8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.517 -2.373 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.865 -1.255 8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.978 -2.599 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.263 -4.671 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.154 -5.035 8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.487 -5.263 8.230 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.755 -0.939 6.410 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.882 0.350 5.690 1.00 0.00 C ATOM 1183 C LEU A 77 -0.882 1.426 6.176 1.00 0.00 C ATOM 1184 O LEU A 77 -0.414 2.223 5.362 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.324 0.889 5.770 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.445 -0.065 5.254 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.785 0.679 5.125 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.048 -0.773 3.937 1.00 0.00 C ATOM 0 H LEU A 77 -2.603 -1.225 6.900 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.634 0.136 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.539 1.140 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.375 1.817 5.201 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.573 -0.851 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.550 -0.009 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.080 1.070 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.677 1.504 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.859 -1.427 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.857 -0.027 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.148 -1.365 4.099 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.595 1.455 7.498 1.00 0.00 N ATOM 1201 CA LYS A 78 0.459 2.351 8.066 1.00 0.00 C ATOM 1202 C LYS A 78 1.836 2.062 7.428 1.00 0.00 C ATOM 1203 O LYS A 78 2.556 2.984 7.035 1.00 0.00 O ATOM 1204 CB LYS A 78 0.552 2.206 9.616 1.00 0.00 C ATOM 1205 CG LYS A 78 0.922 0.788 10.113 1.00 0.00 C ATOM 1206 CD LYS A 78 0.958 0.648 11.646 1.00 0.00 C ATOM 1207 CE LYS A 78 1.307 -0.782 12.104 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.323 -0.899 13.580 1.00 0.00 N ATOM 0 H LYS A 78 -1.069 0.877 8.192 1.00 0.00 H new ATOM 0 HA LYS A 78 0.172 3.376 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.294 2.912 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.406 2.490 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.203 0.075 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.898 0.517 9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.691 1.345 12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.012 0.930 12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.581 -1.483 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.282 -1.063 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.562 -1.875 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.034 -0.249 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.385 -0.656 13.958 1.00 0.00 H new ATOM 1222 N ASN A 79 2.148 0.768 7.277 1.00 0.00 N ATOM 1223 CA ASN A 79 3.453 0.280 6.811 1.00 0.00 C ATOM 1224 C ASN A 79 3.579 0.464 5.300 1.00 0.00 C ATOM 1225 O ASN A 79 4.602 0.921 4.818 1.00 0.00 O ATOM 1226 CB ASN A 79 3.618 -1.207 7.187 1.00 0.00 C ATOM 1227 CG ASN A 79 3.593 -1.458 8.692 1.00 0.00 C ATOM 1228 OD1 ASN A 79 4.007 -0.617 9.483 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.101 -2.612 9.096 1.00 0.00 N ATOM 0 H ASN A 79 1.488 0.017 7.479 1.00 0.00 H new ATOM 0 HA ASN A 79 4.241 0.857 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.821 -1.784 6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.560 -1.575 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.056 -2.827 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.765 -3.290 8.413 1.00 0.00 H new ATOM 1236 N LEU A 80 2.520 0.075 4.577 1.00 0.00 N ATOM 1237 CA LEU A 80 2.347 0.311 3.134 1.00 0.00 C ATOM 1238 C LEU A 80 2.592 1.792 2.796 1.00 0.00 C ATOM 1239 O LEU A 80 3.449 2.117 1.981 1.00 0.00 O ATOM 1240 CB LEU A 80 0.903 -0.113 2.726 1.00 0.00 C ATOM 1241 CG LEU A 80 0.502 0.060 1.227 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.377 -0.815 0.297 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.010 -0.220 1.024 1.00 0.00 C ATOM 0 H LEU A 80 1.735 -0.428 4.991 1.00 0.00 H new ATOM 0 HA LEU A 80 3.073 -0.282 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.772 -1.162 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.200 0.459 3.331 1.00 0.00 H new ATOM 0 HG LEU A 80 0.687 1.098 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.068 -0.668 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.423 -0.530 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.257 -1.865 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.265 -0.093 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.235 -1.241 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.593 0.477 1.626 1.00 0.00 H new ATOM 1255 N ALA A 81 1.888 2.671 3.527 1.00 0.00 N ATOM 1256 CA ALA A 81 1.961 4.133 3.356 1.00 0.00 C ATOM 1257 C ALA A 81 3.323 4.693 3.789 1.00 0.00 C ATOM 1258 O ALA A 81 3.729 5.742 3.317 1.00 0.00 O ATOM 1259 CB ALA A 81 0.834 4.817 4.147 1.00 0.00 C ATOM 0 H ALA A 81 1.243 2.384 4.263 1.00 0.00 H new ATOM 0 HA ALA A 81 1.839 4.345 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.899 5.897 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.131 4.463 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.934 4.576 5.205 1.00 0.00 H new ATOM 1265 N ALA A 82 3.997 3.974 4.703 1.00 0.00 N ATOM 1266 CA ALA A 82 5.352 4.336 5.177 1.00 0.00 C ATOM 1267 C ALA A 82 6.416 4.023 4.107 1.00 0.00 C ATOM 1268 O ALA A 82 7.330 4.824 3.886 1.00 0.00 O ATOM 1269 CB ALA A 82 5.680 3.610 6.493 1.00 0.00 C ATOM 0 H ALA A 82 3.624 3.129 5.135 1.00 0.00 H new ATOM 0 HA ALA A 82 5.366 5.410 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.680 3.890 6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.954 3.892 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.639 2.532 6.334 1.00 0.00 H new ATOM 1275 N ARG A 83 6.294 2.845 3.454 1.00 0.00 N ATOM 1276 CA ARG A 83 7.192 2.432 2.356 1.00 0.00 C ATOM 1277 C ARG A 83 7.022 3.374 1.149 1.00 0.00 C ATOM 1278 O ARG A 83 7.999 3.790 0.531 1.00 0.00 O ATOM 1279 CB ARG A 83 6.917 0.965 1.908 1.00 0.00 C ATOM 1280 CG ARG A 83 6.969 -0.112 3.017 1.00 0.00 C ATOM 1281 CD ARG A 83 8.272 -0.065 3.833 1.00 0.00 C ATOM 1282 NE ARG A 83 9.481 -0.259 2.994 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.650 0.391 3.162 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.779 1.338 4.082 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.683 0.094 2.398 1.00 0.00 N ATOM 0 H ARG A 83 5.573 2.158 3.674 1.00 0.00 H new ATOM 0 HA ARG A 83 8.214 2.490 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.932 0.929 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.643 0.700 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.121 0.023 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.864 -1.098 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.341 0.895 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.242 -0.836 4.603 1.00 0.00 H new ATOM 0 HE ARG A 83 9.423 -0.935 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.987 1.584 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.671 1.820 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.597 -0.627 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.568 0.585 2.524 1.00 0.00 H new ATOM 1299 N ILE A 84 5.756 3.696 0.849 1.00 0.00 N ATOM 1300 CA ILE A 84 5.375 4.632 -0.227 1.00 0.00 C ATOM 1301 C ILE A 84 5.877 6.051 0.089 1.00 0.00 C ATOM 1302 O ILE A 84 6.383 6.747 -0.791 1.00 0.00 O ATOM 1303 CB ILE A 84 3.814 4.624 -0.420 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.348 3.214 -0.901 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.311 5.738 -1.375 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.852 2.990 -0.830 1.00 0.00 C ATOM 0 H ILE A 84 4.956 3.311 1.351 1.00 0.00 H new ATOM 0 HA ILE A 84 5.842 4.307 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 84 3.367 4.842 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.676 3.068 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.846 2.455 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.226 5.678 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.588 6.713 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.765 5.607 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.617 1.986 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.516 3.100 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.344 3.723 -1.457 1.00 0.00 H new ATOM 1318 N ASP A 85 5.709 6.466 1.358 1.00 0.00 N ATOM 1319 CA ASP A 85 6.269 7.733 1.884 1.00 0.00 C ATOM 1320 C ASP A 85 7.790 7.810 1.692 1.00 0.00 C ATOM 1321 O ASP A 85 8.321 8.876 1.416 1.00 0.00 O ATOM 1322 CB ASP A 85 5.922 7.911 3.384 1.00 0.00 C ATOM 1323 CG ASP A 85 6.334 9.289 3.945 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.578 10.256 3.759 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.414 9.410 4.573 1.00 0.00 O ATOM 0 H ASP A 85 5.182 5.935 2.051 1.00 0.00 H new ATOM 0 HA ASP A 85 5.813 8.542 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.849 7.777 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.417 7.129 3.960 1.00 0.00 H new ATOM 1330 N GLU A 86 8.462 6.663 1.845 1.00 0.00 N ATOM 1331 CA GLU A 86 9.919 6.571 1.642 1.00 0.00 C ATOM 1332 C GLU A 86 10.268 6.740 0.138 1.00 0.00 C ATOM 1333 O GLU A 86 11.249 7.398 -0.213 1.00 0.00 O ATOM 1334 CB GLU A 86 10.448 5.225 2.189 1.00 0.00 C ATOM 1335 CG GLU A 86 11.980 5.081 2.145 1.00 0.00 C ATOM 1336 CD GLU A 86 12.477 3.748 2.717 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.614 3.629 3.957 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.713 2.797 1.938 1.00 0.00 O ATOM 0 H GLU A 86 8.022 5.782 2.109 1.00 0.00 H new ATOM 0 HA GLU A 86 10.405 7.377 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.113 5.109 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.002 4.413 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.318 5.175 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.432 5.900 2.704 1.00 0.00 H new ATOM 1345 N LEU A 87 9.430 6.153 -0.738 1.00 0.00 N ATOM 1346 CA LEU A 87 9.579 6.261 -2.207 1.00 0.00 C ATOM 1347 C LEU A 87 9.339 7.707 -2.710 1.00 0.00 C ATOM 1348 O LEU A 87 10.025 8.172 -3.624 1.00 0.00 O ATOM 1349 CB LEU A 87 8.616 5.267 -2.922 1.00 0.00 C ATOM 1350 CG LEU A 87 8.833 3.753 -2.590 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.721 2.864 -3.187 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.237 3.284 -3.032 1.00 0.00 C ATOM 0 H LEU A 87 8.630 5.590 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 87 10.608 5.999 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.591 5.533 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.718 5.402 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 87 8.772 3.645 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.912 1.822 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.756 3.166 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.709 2.976 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.361 2.229 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.346 3.424 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.996 3.868 -2.511 1.00 0.00 H new ATOM 1364 N VAL A 88 8.354 8.418 -2.115 1.00 0.00 N ATOM 1365 CA VAL A 88 8.055 9.823 -2.484 1.00 0.00 C ATOM 1366 C VAL A 88 9.043 10.795 -1.796 1.00 0.00 C ATOM 1367 O VAL A 88 9.291 11.895 -2.300 1.00 0.00 O ATOM 1368 CB VAL A 88 6.558 10.233 -2.176 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.572 9.240 -2.828 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.270 10.399 -0.662 1.00 0.00 C ATOM 0 H VAL A 88 7.754 8.044 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 88 8.184 9.896 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 88 6.408 11.217 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.549 9.542 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.720 9.237 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.750 8.239 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.227 10.680 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.465 9.457 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.915 11.176 -0.252 1.00 0.00 H new ATOM 1380 N ALA A 89 9.600 10.368 -0.647 1.00 0.00 N ATOM 1381 CA ALA A 89 10.647 11.122 0.072 1.00 0.00 C ATOM 1382 C ALA A 89 11.947 11.103 -0.735 1.00 0.00 C ATOM 1383 O ALA A 89 12.670 12.089 -0.768 1.00 0.00 O ATOM 1384 CB ALA A 89 10.886 10.542 1.479 1.00 0.00 C ATOM 0 H ALA A 89 9.339 9.494 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 89 10.308 12.152 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.662 11.118 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.963 10.594 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.203 9.502 1.395 1.00 0.00 H new ATOM 1390 N ALA A 90 12.219 9.944 -1.363 1.00 0.00 N ATOM 1391 CA ALA A 90 13.394 9.730 -2.236 1.00 0.00 C ATOM 1392 C ALA A 90 13.518 10.805 -3.347 1.00 0.00 C ATOM 1393 O ALA A 90 14.587 11.406 -3.518 1.00 0.00 O ATOM 1394 CB ALA A 90 13.333 8.323 -2.849 1.00 0.00 C ATOM 0 H ALA A 90 11.624 9.120 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 90 14.285 9.822 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.200 8.168 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.334 7.579 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.422 8.222 -3.438 1.00 0.00 H new ATOM 1400 N LYS A 91 12.406 11.055 -4.068 1.00 0.00 N ATOM 1401 CA LYS A 91 12.376 12.029 -5.187 1.00 0.00 C ATOM 1402 C LYS A 91 12.426 13.487 -4.660 1.00 0.00 C ATOM 1403 O LYS A 91 13.002 14.368 -5.314 1.00 0.00 O ATOM 1404 CB LYS A 91 11.128 11.804 -6.089 1.00 0.00 C ATOM 1405 CG LYS A 91 9.779 11.967 -5.361 1.00 0.00 C ATOM 1406 CD LYS A 91 8.562 11.888 -6.305 1.00 0.00 C ATOM 1407 CE LYS A 91 7.225 12.087 -5.569 1.00 0.00 C ATOM 1408 NZ LYS A 91 6.075 12.112 -6.504 1.00 0.00 N ATOM 0 H LYS A 91 11.512 10.595 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 91 13.264 11.864 -5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.165 12.507 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.178 10.802 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.690 11.193 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.767 12.926 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.660 12.646 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.557 10.919 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.086 11.284 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.256 13.021 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.338 12.743 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.390 12.459 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.690 11.151 -6.606 1.00 0.00 H new ATOM 1422 N GLY A 92 11.811 13.729 -3.481 1.00 0.00 N ATOM 1423 CA GLY A 92 11.911 15.027 -2.788 1.00 0.00 C ATOM 1424 C GLY A 92 13.297 15.297 -2.193 1.00 0.00 C ATOM 1425 O GLY A 92 13.715 16.450 -2.055 1.00 0.00 O ATOM 0 H GLY A 92 11.240 13.040 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.664 15.824 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.169 15.062 -1.991 1.00 0.00 H new ATOM 1429 N ALA A 93 14.007 14.204 -1.870 1.00 0.00 N ATOM 1430 CA ALA A 93 15.363 14.263 -1.275 1.00 0.00 C ATOM 1431 C ALA A 93 16.396 14.687 -2.327 1.00 0.00 C ATOM 1432 O ALA A 93 17.463 15.216 -1.992 1.00 0.00 O ATOM 1433 CB ALA A 93 15.746 12.908 -0.679 1.00 0.00 C ATOM 0 H ALA A 93 13.663 13.254 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 93 15.353 15.006 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.745 12.970 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.031 12.637 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.736 12.150 -1.462 1.00 0.00 H new ATOM 1439 N LEU A 94 16.062 14.419 -3.608 1.00 0.00 N ATOM 1440 CA LEU A 94 16.851 14.867 -4.776 1.00 0.00 C ATOM 1441 C LEU A 94 16.983 16.402 -4.844 1.00 0.00 C ATOM 1442 O LEU A 94 17.875 16.907 -5.535 1.00 0.00 O ATOM 1443 CB LEU A 94 16.240 14.318 -6.091 1.00 0.00 C ATOM 1444 CG LEU A 94 16.108 12.765 -6.179 1.00 0.00 C ATOM 1445 CD1 LEU A 94 15.519 12.332 -7.534 1.00 0.00 C ATOM 1446 CD2 LEU A 94 17.453 12.061 -5.900 1.00 0.00 C ATOM 0 H LEU A 94 15.232 13.883 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 94 17.856 14.463 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.251 14.756 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.852 14.660 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 94 15.413 12.453 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.439 11.245 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.530 12.772 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 94 16.171 12.671 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.320 10.981 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.192 12.384 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.798 12.319 -4.899 1.00 0.00 H new ATOM 1458 N GLU A 95 16.102 17.135 -4.134 1.00 0.00 N ATOM 1459 CA GLU A 95 16.272 18.578 -3.942 1.00 0.00 C ATOM 1460 C GLU A 95 17.453 18.827 -2.986 1.00 0.00 C ATOM 1461 O GLU A 95 17.383 18.501 -1.792 1.00 0.00 O ATOM 1462 CB GLU A 95 14.980 19.254 -3.407 1.00 0.00 C ATOM 1463 CG GLU A 95 15.089 20.788 -3.243 1.00 0.00 C ATOM 1464 CD GLU A 95 15.514 21.507 -4.536 1.00 0.00 C ATOM 1465 OE1 GLU A 95 14.655 21.701 -5.421 1.00 0.00 O ATOM 1466 OE2 GLU A 95 16.712 21.869 -4.682 1.00 0.00 O ATOM 0 H GLU A 95 15.271 16.748 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 95 16.482 19.029 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.158 19.030 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.725 18.814 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.127 21.181 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.809 21.013 -2.456 1.00 0.00 H new ATOM 1473 N HIS A 96 18.530 19.395 -3.541 1.00 0.00 N ATOM 1474 CA HIS A 96 19.794 19.625 -2.827 1.00 0.00 C ATOM 1475 C HIS A 96 19.672 20.779 -1.815 1.00 0.00 C ATOM 1476 O HIS A 96 18.895 21.726 -2.025 1.00 0.00 O ATOM 1477 CB HIS A 96 20.942 19.894 -3.841 1.00 0.00 C ATOM 1478 CG HIS A 96 20.608 20.924 -4.899 1.00 0.00 C ATOM 1479 ND1 HIS A 96 20.232 20.575 -6.175 1.00 0.00 N ATOM 1480 CD2 HIS A 96 20.606 22.277 -4.872 1.00 0.00 C ATOM 1481 CE1 HIS A 96 20.011 21.663 -6.884 1.00 0.00 C ATOM 1482 NE2 HIS A 96 20.233 22.712 -6.120 1.00 0.00 N ATOM 0 H HIS A 96 18.550 19.712 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 96 20.031 18.724 -2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 96 21.825 20.225 -3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 96 21.204 18.957 -4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 96 20.852 22.900 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 96 19.700 21.690 -7.918 1.00 0.00 H new ATOM 0 HE2 HIS A 96 20.143 23.686 -6.407 1.00 0.00 H new ATOM 1491 N HIS A 97 20.416 20.632 -0.699 1.00 0.00 N ATOM 1492 CA HIS A 97 20.663 21.687 0.314 1.00 0.00 C ATOM 1493 C HIS A 97 19.417 21.980 1.198 1.00 0.00 C ATOM 1494 O HIS A 97 19.508 22.811 2.109 1.00 0.00 O ATOM 1495 CB HIS A 97 21.209 22.980 -0.387 1.00 0.00 C ATOM 1496 CG HIS A 97 21.900 23.974 0.519 1.00 0.00 C ATOM 1497 ND1 HIS A 97 23.215 23.836 0.908 1.00 0.00 N ATOM 1498 CD2 HIS A 97 21.474 25.137 1.076 1.00 0.00 C ATOM 1499 CE1 HIS A 97 23.566 24.855 1.666 1.00 0.00 C ATOM 1500 NE2 HIS A 97 22.529 25.662 1.781 1.00 0.00 N ATOM 0 H HIS A 97 20.876 19.751 -0.468 1.00 0.00 H new ATOM 0 HA HIS A 97 21.423 21.317 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 97 21.908 22.680 -1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 97 20.377 23.483 -0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 97 20.489 25.569 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 97 24.536 25.004 2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 97 22.513 26.535 2.308 1.00 0.00 H new ATOM 1509 N HIS A 98 18.308 21.216 0.961 1.00 0.00 N ATOM 1510 CA HIS A 98 16.945 21.410 1.548 1.00 0.00 C ATOM 1511 C HIS A 98 16.486 22.897 1.560 1.00 0.00 C ATOM 1512 O HIS A 98 17.015 23.726 2.305 1.00 0.00 O ATOM 1513 CB HIS A 98 16.772 20.725 2.957 1.00 0.00 C ATOM 1514 CG HIS A 98 17.699 21.177 4.061 1.00 0.00 C ATOM 1515 ND1 HIS A 98 18.866 20.517 4.382 1.00 0.00 N ATOM 1516 CD2 HIS A 98 17.618 22.222 4.926 1.00 0.00 C ATOM 1517 CE1 HIS A 98 19.454 21.124 5.396 1.00 0.00 C ATOM 1518 NE2 HIS A 98 18.720 22.164 5.741 1.00 0.00 N ATOM 0 H HIS A 98 18.341 20.415 0.330 1.00 0.00 H new ATOM 0 HA HIS A 98 16.270 20.888 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 98 15.747 20.888 3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 98 16.898 19.650 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 98 16.832 22.961 4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 98 20.379 20.821 5.864 1.00 0.00 H new ATOM 0 HE2 HIS A 98 18.937 22.819 6.492 1.00 0.00 H new ATOM 1527 N HIS A 99 15.491 23.228 0.715 1.00 0.00 N ATOM 1528 CA HIS A 99 14.929 24.588 0.631 1.00 0.00 C ATOM 1529 C HIS A 99 13.936 24.815 1.787 1.00 0.00 C ATOM 1530 O HIS A 99 12.719 24.816 1.603 1.00 0.00 O ATOM 1531 CB HIS A 99 14.283 24.836 -0.765 1.00 0.00 C ATOM 1532 CG HIS A 99 15.254 24.819 -1.922 1.00 0.00 C ATOM 1533 ND1 HIS A 99 15.060 25.558 -3.064 1.00 0.00 N ATOM 1534 CD2 HIS A 99 16.416 24.142 -2.117 1.00 0.00 C ATOM 1535 CE1 HIS A 99 16.045 25.336 -3.909 1.00 0.00 C ATOM 1536 NE2 HIS A 99 16.888 24.479 -3.361 1.00 0.00 N ATOM 0 H HIS A 99 15.057 22.563 0.075 1.00 0.00 H new ATOM 0 HA HIS A 99 15.732 25.318 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.520 24.077 -0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 99 13.775 25.800 -0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.883 23.462 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.147 25.781 -4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 99 17.744 24.127 -3.790 1.00 0.00 H new ATOM 1545 N HIS A 100 14.507 24.944 2.990 1.00 0.00 N ATOM 1546 CA HIS A 100 13.800 25.186 4.254 1.00 0.00 C ATOM 1547 C HIS A 100 14.759 25.991 5.139 1.00 0.00 C ATOM 1548 O HIS A 100 15.655 25.417 5.771 1.00 0.00 O ATOM 1549 CB HIS A 100 13.374 23.837 4.924 1.00 0.00 C ATOM 1550 CG HIS A 100 12.760 23.951 6.313 1.00 0.00 C ATOM 1551 ND1 HIS A 100 11.406 23.890 6.544 1.00 0.00 N ATOM 1552 CD2 HIS A 100 13.334 24.083 7.537 1.00 0.00 C ATOM 1553 CE1 HIS A 100 11.172 23.984 7.838 1.00 0.00 C ATOM 1554 NE2 HIS A 100 12.326 24.102 8.465 1.00 0.00 N ATOM 0 H HIS A 100 15.517 24.880 3.115 1.00 0.00 H new ATOM 0 HA HIS A 100 12.876 25.741 4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 100 12.658 23.339 4.271 1.00 0.00 H new ATOM 0 HB3 HIS A 100 14.250 23.192 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.392 24.159 7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.199 23.967 8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 100 12.448 24.192 9.474 1.00 0.00 H new ATOM 1563 N HIS A 101 14.629 27.327 5.101 1.00 0.00 N ATOM 1564 CA HIS A 101 15.483 28.248 5.864 1.00 0.00 C ATOM 1565 C HIS A 101 14.606 29.382 6.435 1.00 0.00 C ATOM 1566 O HIS A 101 14.463 30.437 5.786 1.00 0.00 O ATOM 1567 CB HIS A 101 16.644 28.787 4.969 1.00 0.00 C ATOM 1568 CG HIS A 101 17.634 27.740 4.541 1.00 0.00 C ATOM 1569 ND1 HIS A 101 17.617 27.142 3.302 1.00 0.00 N ATOM 1570 CD2 HIS A 101 18.660 27.175 5.207 1.00 0.00 C ATOM 1571 CE1 HIS A 101 18.589 26.265 3.227 1.00 0.00 C ATOM 1572 NE2 HIS A 101 19.244 26.261 4.370 1.00 0.00 N ATOM 1573 OXT HIS A 101 14.029 29.194 7.528 1.00 0.00 O ATOM 0 H HIS A 101 13.924 27.800 4.536 1.00 0.00 H new ATOM 0 HA HIS A 101 15.952 27.725 6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.216 29.250 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 101 17.173 29.569 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 101 18.966 27.402 6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 101 18.815 25.648 2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 101 20.049 25.677 4.594 1.00 0.00 H new TER 1582 HIS A 101