USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 536 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 48 ASN : amide:sc= -1.89! C(o=-1.8!,f=-3.4!) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0572 K(o=-1.8,f=-5.3!) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= -0.0189 (180deg=-0.168) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.11 (180deg=1.01) USER MOD Single : A 5 SER OG : rot 160:sc= -0.016 USER MOD Single : A 12 SER OG : rot 86:sc= 0.979 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= 0.355 (180deg=0.0897) USER MOD Single : A 24 CYS SG : rot 18:sc= 0.151 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= -0.163 (180deg=-0.55) USER MOD Single : A 35 ASN : amide:sc= -0.0654 K(o=-0.065,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= -0.0149 (180deg=-0.155) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0835 (180deg=-0.313) USER MOD Single : A 47 SER OG : rot 180:sc= -0.719 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -66:sc= 0.854 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.444 (180deg=-1.14) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.3 (180deg=0.897) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -9.830 -9.316 6.091 1.00 0.00 N ATOM 2 CA LYS A 3 -9.299 -7.980 6.316 1.00 0.00 C ATOM 3 C LYS A 3 -10.155 -6.945 5.600 1.00 0.00 C ATOM 4 O LYS A 3 -10.515 -7.121 4.436 1.00 0.00 O ATOM 5 CB LYS A 3 -7.847 -7.883 5.838 1.00 0.00 C ATOM 6 CG LYS A 3 -6.901 -8.852 6.533 1.00 0.00 C ATOM 7 CD LYS A 3 -5.454 -8.592 6.150 1.00 0.00 C ATOM 8 CE LYS A 3 -4.513 -9.616 6.767 1.00 0.00 C ATOM 9 NZ LYS A 3 -4.649 -9.686 8.247 1.00 0.00 N ATOM 0 HA LYS A 3 -9.323 -7.780 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.816 -8.068 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.490 -6.865 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.014 -8.760 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.169 -9.875 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.356 -8.616 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.166 -7.592 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.716 -10.598 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.484 -9.363 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.870 -10.252 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.615 -8.726 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.557 -10.130 8.492 1.00 0.00 H new ATOM 23 N LYS A 4 -10.489 -5.874 6.302 1.00 0.00 N ATOM 24 CA LYS A 4 -11.313 -4.823 5.729 1.00 0.00 C ATOM 25 C LYS A 4 -10.459 -3.701 5.160 1.00 0.00 C ATOM 26 O LYS A 4 -9.249 -3.647 5.399 1.00 0.00 O ATOM 27 CB LYS A 4 -12.269 -4.257 6.782 1.00 0.00 C ATOM 28 CG LYS A 4 -11.562 -3.584 7.951 1.00 0.00 C ATOM 29 CD LYS A 4 -12.549 -2.984 8.936 1.00 0.00 C ATOM 30 CE LYS A 4 -13.354 -1.857 8.309 1.00 0.00 C ATOM 31 NZ LYS A 4 -12.503 -0.689 7.954 1.00 0.00 N ATOM 0 H LYS A 4 -10.203 -5.710 7.267 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.891 -5.264 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.933 -3.536 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.895 -5.064 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.934 -4.312 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.902 -2.802 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.226 -3.761 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.011 -2.607 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.855 -2.225 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.133 -1.540 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.107 0.098 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.954 -0.394 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.853 -0.954 7.186 1.00 0.00 H new ATOM 45 N SER A 5 -11.105 -2.827 4.395 1.00 0.00 N ATOM 46 CA SER A 5 -10.477 -1.621 3.876 1.00 0.00 C ATOM 47 C SER A 5 -9.853 -0.821 5.018 1.00 0.00 C ATOM 48 O SER A 5 -10.408 -0.756 6.123 1.00 0.00 O ATOM 49 CB SER A 5 -11.526 -0.775 3.142 1.00 0.00 C ATOM 50 OG SER A 5 -10.974 0.436 2.663 1.00 0.00 O ATOM 0 H SER A 5 -12.080 -2.937 4.118 1.00 0.00 H new ATOM 0 HA SER A 5 -9.688 -1.896 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.935 -1.345 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.355 -0.557 3.816 1.00 0.00 H new ATOM 0 HG SER A 5 -11.541 0.794 1.949 1.00 0.00 H new ATOM 56 N ARG A 6 -8.705 -0.221 4.750 1.00 0.00 N ATOM 57 CA ARG A 6 -7.935 0.453 5.780 1.00 0.00 C ATOM 58 C ARG A 6 -7.324 1.742 5.256 1.00 0.00 C ATOM 59 O ARG A 6 -7.504 2.100 4.099 1.00 0.00 O ATOM 60 CB ARG A 6 -6.844 -0.472 6.294 1.00 0.00 C ATOM 61 CG ARG A 6 -5.976 -1.045 5.197 1.00 0.00 C ATOM 62 CD ARG A 6 -5.384 -2.375 5.614 1.00 0.00 C ATOM 63 NE ARG A 6 -6.425 -3.307 6.047 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.466 -3.862 7.255 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.587 -3.511 8.182 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.422 -4.731 7.550 1.00 0.00 N ATOM 0 H ARG A 6 -8.284 -0.188 3.821 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.608 0.710 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.215 0.075 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.303 -1.290 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.567 -1.174 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.175 -0.345 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.830 -2.807 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.671 -2.220 6.424 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.162 -3.545 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.875 -2.812 7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.623 -3.940 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.125 -4.973 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.455 -5.158 8.476 1.00 0.00 H new ATOM 80 N LEU A 7 -6.584 2.412 6.120 1.00 0.00 N ATOM 81 CA LEU A 7 -6.072 3.745 5.836 1.00 0.00 C ATOM 82 C LEU A 7 -4.594 3.668 5.454 1.00 0.00 C ATOM 83 O LEU A 7 -3.733 3.459 6.305 1.00 0.00 O ATOM 84 CB LEU A 7 -6.287 4.642 7.073 1.00 0.00 C ATOM 85 CG LEU A 7 -6.223 6.164 6.849 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.799 6.631 6.604 1.00 0.00 C ATOM 87 CD2 LEU A 7 -7.119 6.576 5.692 1.00 0.00 C ATOM 0 H LEU A 7 -6.320 2.051 7.037 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.609 4.179 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.261 4.403 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.537 4.377 7.819 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.582 6.644 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.791 7.710 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.181 6.383 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.401 6.135 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.059 7.655 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.793 6.073 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.149 6.296 5.912 1.00 0.00 H new ATOM 99 N TRP A 8 -4.320 3.830 4.169 1.00 0.00 N ATOM 100 CA TRP A 8 -2.955 3.784 3.654 1.00 0.00 C ATOM 101 C TRP A 8 -2.365 5.184 3.632 1.00 0.00 C ATOM 102 O TRP A 8 -3.080 6.157 3.383 1.00 0.00 O ATOM 103 CB TRP A 8 -2.934 3.192 2.243 1.00 0.00 C ATOM 104 CG TRP A 8 -3.504 1.808 2.168 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.821 1.467 2.226 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.779 0.582 2.006 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.962 0.107 2.130 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.724 -0.462 1.988 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.423 0.266 1.877 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.355 -1.797 1.849 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -1.060 -1.060 1.738 1.00 0.00 C ATOM 112 CH2 TRP A 8 -2.021 -2.076 1.723 1.00 0.00 C ATOM 0 H TRP A 8 -5.030 3.996 3.456 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.357 3.149 4.308 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.496 3.845 1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.906 3.174 1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.637 2.167 2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.847 -0.400 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.674 1.044 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.095 -2.584 1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.016 -1.316 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.704 -3.102 1.610 1.00 0.00 H new ATOM 123 N VAL A 9 -1.069 5.278 3.896 1.00 0.00 N ATOM 124 CA VAL A 9 -0.382 6.566 3.983 1.00 0.00 C ATOM 125 C VAL A 9 0.951 6.510 3.236 1.00 0.00 C ATOM 126 O VAL A 9 1.602 5.469 3.196 1.00 0.00 O ATOM 127 CB VAL A 9 -0.135 6.958 5.466 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.764 8.179 5.586 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.449 7.212 6.185 1.00 0.00 C ATOM 0 H VAL A 9 -0.465 4.472 4.055 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.019 7.321 3.522 1.00 0.00 H new ATOM 0 HB VAL A 9 0.372 6.117 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.912 8.420 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.728 7.968 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.297 9.025 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.250 7.485 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.982 8.025 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.059 6.309 6.158 1.00 0.00 H new ATOM 139 N ASP A 10 1.346 7.627 2.627 1.00 0.00 N ATOM 140 CA ASP A 10 2.626 7.696 1.929 1.00 0.00 C ATOM 141 C ASP A 10 3.717 8.165 2.886 1.00 0.00 C ATOM 142 O ASP A 10 3.429 8.526 4.026 1.00 0.00 O ATOM 143 CB ASP A 10 2.553 8.625 0.707 1.00 0.00 C ATOM 144 CG ASP A 10 2.983 10.055 1.005 1.00 0.00 C ATOM 145 OD1 ASP A 10 2.232 10.781 1.687 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.076 10.458 0.545 1.00 0.00 O ATOM 0 H ASP A 10 0.802 8.490 2.603 1.00 0.00 H new ATOM 0 HA ASP A 10 2.868 6.696 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.185 8.222 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.531 8.633 0.327 1.00 0.00 H new ATOM 151 N ARG A 11 4.960 8.165 2.436 1.00 0.00 N ATOM 152 CA ARG A 11 6.072 8.541 3.294 1.00 0.00 C ATOM 153 C ARG A 11 5.940 9.985 3.777 1.00 0.00 C ATOM 154 O ARG A 11 6.150 10.272 4.959 1.00 0.00 O ATOM 155 CB ARG A 11 7.408 8.366 2.568 1.00 0.00 C ATOM 156 CG ARG A 11 8.611 8.773 3.411 1.00 0.00 C ATOM 157 CD ARG A 11 8.958 7.735 4.477 1.00 0.00 C ATOM 158 NE ARG A 11 7.840 7.431 5.377 1.00 0.00 N ATOM 159 CZ ARG A 11 7.923 6.586 6.407 1.00 0.00 C ATOM 160 NH1 ARG A 11 9.098 6.086 6.759 1.00 0.00 N ATOM 161 NH2 ARG A 11 6.840 6.281 7.108 1.00 0.00 N ATOM 0 H ARG A 11 5.225 7.910 1.485 1.00 0.00 H new ATOM 0 HA ARG A 11 6.047 7.879 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.518 7.323 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.397 8.959 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.473 8.922 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.406 9.729 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.282 6.816 3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.801 8.097 5.066 1.00 0.00 H new ATOM 0 HE ARG A 11 6.947 7.893 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.938 6.347 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.162 5.440 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.940 6.692 6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.907 5.635 7.894 1.00 0.00 H new ATOM 175 N SER A 12 5.567 10.877 2.869 1.00 0.00 N ATOM 176 CA SER A 12 5.541 12.305 3.156 1.00 0.00 C ATOM 177 C SER A 12 4.458 12.644 4.174 1.00 0.00 C ATOM 178 O SER A 12 4.594 13.589 4.951 1.00 0.00 O ATOM 179 CB SER A 12 5.298 13.084 1.864 1.00 0.00 C ATOM 180 OG SER A 12 5.951 12.461 0.769 1.00 0.00 O ATOM 0 H SER A 12 5.277 10.635 1.922 1.00 0.00 H new ATOM 0 HA SER A 12 6.505 12.586 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.228 13.146 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.661 14.106 1.976 1.00 0.00 H new ATOM 0 HG SER A 12 5.368 11.771 0.390 1.00 0.00 H new ATOM 186 N GLY A 13 3.392 11.857 4.174 1.00 0.00 N ATOM 187 CA GLY A 13 2.282 12.118 5.063 1.00 0.00 C ATOM 188 C GLY A 13 1.194 12.907 4.368 1.00 0.00 C ATOM 189 O GLY A 13 0.278 13.425 5.009 1.00 0.00 O ATOM 0 H GLY A 13 3.277 11.041 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.874 11.174 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.634 12.670 5.935 1.00 0.00 H new ATOM 193 N THR A 14 1.298 12.995 3.051 1.00 0.00 N ATOM 194 CA THR A 14 0.332 13.720 2.250 1.00 0.00 C ATOM 195 C THR A 14 -0.768 12.770 1.797 1.00 0.00 C ATOM 196 O THR A 14 -1.951 13.119 1.771 1.00 0.00 O ATOM 197 CB THR A 14 0.998 14.346 1.012 1.00 0.00 C ATOM 198 OG1 THR A 14 2.225 14.993 1.382 1.00 0.00 O ATOM 199 CG2 THR A 14 0.072 15.352 0.345 1.00 0.00 C ATOM 0 H THR A 14 2.051 12.567 2.512 1.00 0.00 H new ATOM 0 HA THR A 14 -0.087 14.519 2.862 1.00 0.00 H new ATOM 0 HB THR A 14 1.210 13.545 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.641 15.386 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.567 15.780 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.845 14.852 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.171 16.147 1.050 1.00 0.00 H new ATOM 207 N PHE A 15 -0.359 11.560 1.448 1.00 0.00 N ATOM 208 CA PHE A 15 -1.284 10.533 1.014 1.00 0.00 C ATOM 209 C PHE A 15 -1.920 9.830 2.191 1.00 0.00 C ATOM 210 O PHE A 15 -1.237 9.407 3.123 1.00 0.00 O ATOM 211 CB PHE A 15 -0.569 9.500 0.155 1.00 0.00 C ATOM 212 CG PHE A 15 -0.683 9.752 -1.309 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.182 10.913 -1.867 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.292 8.822 -2.128 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.289 11.144 -3.220 1.00 0.00 C ATOM 216 CE2 PHE A 15 -1.403 9.046 -3.485 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.900 10.210 -4.033 1.00 0.00 C ATOM 0 H PHE A 15 0.618 11.267 1.458 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.063 11.026 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.486 9.480 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.975 8.513 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.298 11.646 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.685 7.911 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.105 12.055 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.882 8.313 -4.117 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.984 10.389 -5.095 1.00 0.00 H new ATOM 227 N LYS A 16 -3.232 9.724 2.139 1.00 0.00 N ATOM 228 CA LYS A 16 -3.975 8.899 3.063 1.00 0.00 C ATOM 229 C LYS A 16 -5.310 8.541 2.438 1.00 0.00 C ATOM 230 O LYS A 16 -6.036 9.414 1.954 1.00 0.00 O ATOM 231 CB LYS A 16 -4.153 9.615 4.405 1.00 0.00 C ATOM 232 CG LYS A 16 -4.625 11.054 4.275 1.00 0.00 C ATOM 233 CD LYS A 16 -4.225 11.890 5.479 1.00 0.00 C ATOM 234 CE LYS A 16 -2.710 11.999 5.603 1.00 0.00 C ATOM 235 NZ LYS A 16 -2.304 13.078 6.541 1.00 0.00 N ATOM 0 H LYS A 16 -3.812 10.209 1.454 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.424 7.980 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.871 9.060 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.205 9.601 4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.204 11.494 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.709 11.072 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.657 12.887 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.634 11.444 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.305 11.048 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.279 12.191 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.370 13.443 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.001 13.849 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.257 12.698 7.508 1.00 0.00 H new ATOM 249 N VAL A 17 -5.620 7.256 2.433 1.00 0.00 N ATOM 250 CA VAL A 17 -6.807 6.761 1.748 1.00 0.00 C ATOM 251 C VAL A 17 -7.301 5.461 2.338 1.00 0.00 C ATOM 252 O VAL A 17 -6.514 4.629 2.783 1.00 0.00 O ATOM 253 CB VAL A 17 -6.564 6.529 0.240 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.043 7.721 -0.566 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.095 6.233 -0.048 1.00 0.00 C ATOM 0 H VAL A 17 -5.067 6.534 2.895 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.557 7.541 1.882 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.141 5.655 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.864 7.539 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.110 7.868 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.500 8.613 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.959 6.075 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.484 7.076 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.792 5.337 0.493 1.00 0.00 H new ATOM 265 N ASP A 18 -8.611 5.305 2.326 1.00 0.00 N ATOM 266 CA ASP A 18 -9.246 4.071 2.750 1.00 0.00 C ATOM 267 C ASP A 18 -9.363 3.118 1.579 1.00 0.00 C ATOM 268 O ASP A 18 -10.029 3.407 0.583 1.00 0.00 O ATOM 269 CB ASP A 18 -10.624 4.341 3.357 1.00 0.00 C ATOM 270 CG ASP A 18 -11.466 5.279 2.510 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.303 6.512 2.637 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.284 4.795 1.701 1.00 0.00 O ATOM 0 H ASP A 18 -9.264 6.028 2.023 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.624 3.614 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.153 3.396 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.500 4.769 4.352 1.00 0.00 H new ATOM 277 N ALA A 19 -8.702 1.985 1.703 1.00 0.00 N ATOM 278 CA ALA A 19 -8.667 1.000 0.633 1.00 0.00 C ATOM 279 C ALA A 19 -8.171 -0.343 1.141 1.00 0.00 C ATOM 280 O ALA A 19 -7.600 -0.436 2.228 1.00 0.00 O ATOM 281 CB ALA A 19 -7.782 1.487 -0.502 1.00 0.00 C ATOM 0 H ALA A 19 -8.178 1.720 2.537 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.684 0.870 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.765 0.740 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.176 2.425 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.769 1.646 -0.131 1.00 0.00 H new ATOM 287 N GLU A 20 -8.408 -1.381 0.365 1.00 0.00 N ATOM 288 CA GLU A 20 -7.872 -2.695 0.666 1.00 0.00 C ATOM 289 C GLU A 20 -7.011 -3.163 -0.501 1.00 0.00 C ATOM 290 O GLU A 20 -7.356 -2.933 -1.662 1.00 0.00 O ATOM 291 CB GLU A 20 -9.006 -3.690 0.921 1.00 0.00 C ATOM 292 CG GLU A 20 -8.804 -4.543 2.166 1.00 0.00 C ATOM 293 CD GLU A 20 -7.520 -5.348 2.136 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.441 -4.761 2.370 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.582 -6.569 1.884 1.00 0.00 O ATOM 0 H GLU A 20 -8.972 -1.340 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.262 -2.637 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.944 -3.142 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.105 -4.345 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.800 -3.897 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.649 -5.223 2.274 1.00 0.00 H new ATOM 302 N PHE A 21 -5.892 -3.802 -0.193 1.00 0.00 N ATOM 303 CA PHE A 21 -4.978 -4.287 -1.227 1.00 0.00 C ATOM 304 C PHE A 21 -5.606 -5.439 -1.989 1.00 0.00 C ATOM 305 O PHE A 21 -6.152 -6.377 -1.403 1.00 0.00 O ATOM 306 CB PHE A 21 -3.638 -4.723 -0.624 1.00 0.00 C ATOM 307 CG PHE A 21 -2.741 -5.472 -1.581 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.856 -4.808 -2.421 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.789 -6.857 -1.637 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.047 -5.509 -3.288 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.982 -7.559 -2.505 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.110 -6.885 -3.331 1.00 0.00 C ATOM 0 H PHE A 21 -5.592 -3.998 0.762 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.788 -3.465 -1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.110 -3.840 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.831 -5.354 0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.802 -3.730 -2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.469 -7.393 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.363 -4.980 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.033 -8.637 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.476 -7.434 -4.012 1.00 0.00 H new ATOM 322 N ILE A 22 -5.523 -5.356 -3.299 1.00 0.00 N ATOM 323 CA ILE A 22 -6.067 -6.390 -4.156 1.00 0.00 C ATOM 324 C ILE A 22 -4.943 -7.110 -4.881 1.00 0.00 C ATOM 325 O ILE A 22 -4.838 -8.337 -4.840 1.00 0.00 O ATOM 326 CB ILE A 22 -7.032 -5.810 -5.211 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.507 -4.412 -4.821 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.232 -6.727 -5.383 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.357 -3.755 -5.887 1.00 0.00 C ATOM 0 H ILE A 22 -5.083 -4.582 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.617 -7.081 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.490 -5.737 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.079 -4.474 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.640 -3.784 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.906 -6.308 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.894 -7.710 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.757 -6.821 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.663 -2.765 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.780 -3.663 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.242 -4.364 -6.073 1.00 0.00 H new ATOM 341 N GLY A 23 -4.099 -6.325 -5.532 1.00 0.00 N ATOM 342 CA GLY A 23 -3.001 -6.876 -6.294 1.00 0.00 C ATOM 343 C GLY A 23 -1.973 -5.818 -6.610 1.00 0.00 C ATOM 344 O GLY A 23 -2.321 -4.664 -6.844 1.00 0.00 O ATOM 0 H GLY A 23 -4.157 -5.307 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.534 -7.685 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.378 -7.309 -7.221 1.00 0.00 H new ATOM 348 N CYS A 24 -0.710 -6.191 -6.596 1.00 0.00 N ATOM 349 CA CYS A 24 0.361 -5.241 -6.836 1.00 0.00 C ATOM 350 C CYS A 24 0.934 -5.460 -8.235 1.00 0.00 C ATOM 351 O CYS A 24 1.047 -6.602 -8.688 1.00 0.00 O ATOM 352 CB CYS A 24 1.437 -5.403 -5.758 1.00 0.00 C ATOM 353 SG CYS A 24 2.384 -6.938 -5.882 1.00 0.00 S ATOM 0 H CYS A 24 -0.398 -7.146 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.022 -4.222 -6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.124 -4.559 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.963 -5.360 -4.778 1.00 0.00 H new ATOM 0 HG CYS A 24 2.236 -7.444 -7.070 1.00 0.00 H new ATOM 359 N ALA A 25 1.288 -4.378 -8.921 1.00 0.00 N ATOM 360 CA ALA A 25 1.705 -4.472 -10.313 1.00 0.00 C ATOM 361 C ALA A 25 2.893 -3.566 -10.600 1.00 0.00 C ATOM 362 O ALA A 25 2.777 -2.343 -10.546 1.00 0.00 O ATOM 363 CB ALA A 25 0.547 -4.131 -11.238 1.00 0.00 C ATOM 0 H ALA A 25 1.294 -3.433 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 25 2.015 -5.500 -10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.875 -4.206 -12.275 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.273 -4.828 -11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.208 -3.115 -11.037 1.00 0.00 H new ATOM 369 N LYS A 26 4.029 -4.193 -10.880 1.00 0.00 N ATOM 370 CA LYS A 26 5.250 -3.498 -11.286 1.00 0.00 C ATOM 371 C LYS A 26 5.627 -2.390 -10.301 1.00 0.00 C ATOM 372 O LYS A 26 5.816 -1.231 -10.682 1.00 0.00 O ATOM 373 CB LYS A 26 5.089 -2.927 -12.698 1.00 0.00 C ATOM 374 CG LYS A 26 6.410 -2.587 -13.369 1.00 0.00 C ATOM 375 CD LYS A 26 7.306 -3.810 -13.447 1.00 0.00 C ATOM 376 CE LYS A 26 8.594 -3.525 -14.198 1.00 0.00 C ATOM 377 NZ LYS A 26 9.436 -4.743 -14.304 1.00 0.00 N ATOM 0 H LYS A 26 4.132 -5.207 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 26 6.062 -4.226 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.553 -3.649 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.473 -2.029 -12.650 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.225 -2.202 -14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.913 -1.797 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.542 -4.151 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.770 -4.621 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.361 -3.153 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.150 -2.739 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.309 -4.517 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.677 -5.083 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.913 -5.483 -14.813 1.00 0.00 H new ATOM 391 N GLY A 27 5.727 -2.750 -9.032 1.00 0.00 N ATOM 392 CA GLY A 27 6.130 -1.794 -8.021 1.00 0.00 C ATOM 393 C GLY A 27 4.990 -0.912 -7.547 1.00 0.00 C ATOM 394 O GLY A 27 5.167 -0.085 -6.655 1.00 0.00 O ATOM 0 H GLY A 27 5.536 -3.689 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.545 -2.330 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.926 -1.165 -8.421 1.00 0.00 H new ATOM 398 N LYS A 28 3.822 -1.066 -8.152 1.00 0.00 N ATOM 399 CA LYS A 28 2.659 -0.306 -7.735 1.00 0.00 C ATOM 400 C LYS A 28 1.637 -1.214 -7.082 1.00 0.00 C ATOM 401 O LYS A 28 1.759 -2.435 -7.119 1.00 0.00 O ATOM 402 CB LYS A 28 2.031 0.413 -8.918 1.00 0.00 C ATOM 403 CG LYS A 28 3.006 1.298 -9.659 1.00 0.00 C ATOM 404 CD LYS A 28 2.307 2.132 -10.712 1.00 0.00 C ATOM 405 CE LYS A 28 3.217 3.230 -11.234 1.00 0.00 C ATOM 406 NZ LYS A 28 2.522 4.117 -12.197 1.00 0.00 N ATOM 0 H LYS A 28 3.657 -1.707 -8.928 1.00 0.00 H new ATOM 0 HA LYS A 28 2.986 0.438 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.622 -0.325 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.195 1.018 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.514 1.954 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.772 0.683 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.993 1.493 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.404 2.574 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.587 3.823 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.086 2.782 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.179 4.852 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.191 3.557 -13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.708 4.565 -11.731 1.00 0.00 H new ATOM 420 N ILE A 29 0.631 -0.607 -6.492 1.00 0.00 N ATOM 421 CA ILE A 29 -0.360 -1.328 -5.725 1.00 0.00 C ATOM 422 C ILE A 29 -1.768 -0.958 -6.173 1.00 0.00 C ATOM 423 O ILE A 29 -2.107 0.222 -6.267 1.00 0.00 O ATOM 424 CB ILE A 29 -0.191 -0.997 -4.229 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.228 -1.348 -3.770 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.222 -1.734 -3.394 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.618 -0.715 -2.456 1.00 0.00 C ATOM 0 H ILE A 29 0.477 0.401 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.216 -2.396 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.349 0.073 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.313 -2.431 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.936 -1.035 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.083 -1.485 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.223 -1.439 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.101 -2.808 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.635 -1.010 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.567 0.370 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.934 -1.047 -1.675 1.00 0.00 H new ATOM 439 N HIS A 30 -2.577 -1.966 -6.478 1.00 0.00 N ATOM 440 CA HIS A 30 -3.984 -1.742 -6.774 1.00 0.00 C ATOM 441 C HIS A 30 -4.780 -1.863 -5.493 1.00 0.00 C ATOM 442 O HIS A 30 -4.674 -2.867 -4.773 1.00 0.00 O ATOM 443 CB HIS A 30 -4.531 -2.736 -7.803 1.00 0.00 C ATOM 444 CG HIS A 30 -3.785 -2.752 -9.107 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.800 -3.827 -9.965 1.00 0.00 N ATOM 446 CD2 HIS A 30 -3.010 -1.812 -9.703 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.074 -3.548 -11.031 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.582 -2.331 -10.901 1.00 0.00 N ATOM 0 H HIS A 30 -2.283 -2.942 -6.526 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.079 -0.744 -7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.507 -3.737 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.577 -2.499 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.773 -0.835 -9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.910 -4.207 -11.871 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.984 -1.855 -11.577 1.00 0.00 H new ATOM 457 N LEU A 31 -5.582 -0.857 -5.219 1.00 0.00 N ATOM 458 CA LEU A 31 -6.307 -0.792 -3.968 1.00 0.00 C ATOM 459 C LEU A 31 -7.781 -0.581 -4.219 1.00 0.00 C ATOM 460 O LEU A 31 -8.171 0.215 -5.072 1.00 0.00 O ATOM 461 CB LEU A 31 -5.770 0.335 -3.084 1.00 0.00 C ATOM 462 CG LEU A 31 -4.323 0.174 -2.610 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.859 1.422 -1.879 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.199 -1.036 -1.703 1.00 0.00 C ATOM 0 H LEU A 31 -5.749 -0.071 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.165 -1.741 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.851 1.273 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.413 0.422 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.689 0.027 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.829 1.289 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.918 2.279 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.497 1.595 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.165 -1.139 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.846 -0.908 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.497 -1.932 -2.248 1.00 0.00 H new ATOM 476 N HIS A 32 -8.590 -1.302 -3.474 1.00 0.00 N ATOM 477 CA HIS A 32 -10.030 -1.192 -3.582 1.00 0.00 C ATOM 478 C HIS A 32 -10.550 -0.274 -2.483 1.00 0.00 C ATOM 479 O HIS A 32 -10.660 -0.675 -1.327 1.00 0.00 O ATOM 480 CB HIS A 32 -10.675 -2.585 -3.505 1.00 0.00 C ATOM 481 CG HIS A 32 -12.170 -2.576 -3.615 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.003 -3.007 -2.608 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.978 -2.204 -4.634 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.258 -2.900 -3.002 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.274 -2.418 -4.233 1.00 0.00 N ATOM 0 H HIS A 32 -8.271 -1.978 -2.780 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.296 -0.759 -4.546 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.267 -3.207 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.394 -3.052 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.662 -1.810 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.127 -3.162 -2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.108 -2.236 -4.791 1.00 0.00 H new ATOM 494 N LYS A 33 -10.834 0.969 -2.858 1.00 0.00 N ATOM 495 CA LYS A 33 -11.303 1.981 -1.915 1.00 0.00 C ATOM 496 C LYS A 33 -12.626 1.557 -1.300 1.00 0.00 C ATOM 497 O LYS A 33 -13.340 0.719 -1.855 1.00 0.00 O ATOM 498 CB LYS A 33 -11.490 3.327 -2.626 1.00 0.00 C ATOM 499 CG LYS A 33 -10.269 3.792 -3.397 1.00 0.00 C ATOM 500 CD LYS A 33 -9.134 4.221 -2.483 1.00 0.00 C ATOM 501 CE LYS A 33 -9.411 5.561 -1.818 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.634 6.650 -2.810 1.00 0.00 N ATOM 0 H LYS A 33 -10.747 1.303 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.554 2.086 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.333 3.250 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.750 4.084 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.924 2.987 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.546 4.625 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.979 3.461 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.211 4.286 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.288 5.471 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.572 5.825 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.087 7.490 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.325 6.331 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.646 6.890 -2.841 1.00 0.00 H new ATOM 516 N ALA A 34 -12.959 2.158 -0.167 1.00 0.00 N ATOM 517 CA ALA A 34 -14.214 1.868 0.508 1.00 0.00 C ATOM 518 C ALA A 34 -15.393 2.402 -0.294 1.00 0.00 C ATOM 519 O ALA A 34 -16.539 2.035 -0.050 1.00 0.00 O ATOM 520 CB ALA A 34 -14.212 2.459 1.905 1.00 0.00 C ATOM 0 H ALA A 34 -12.376 2.850 0.304 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.318 0.786 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.158 2.233 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.392 2.029 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.084 3.540 1.843 1.00 0.00 H new ATOM 526 N ASN A 35 -15.102 3.273 -1.253 1.00 0.00 N ATOM 527 CA ASN A 35 -16.134 3.811 -2.130 1.00 0.00 C ATOM 528 C ASN A 35 -16.385 2.848 -3.294 1.00 0.00 C ATOM 529 O ASN A 35 -17.303 3.040 -4.091 1.00 0.00 O ATOM 530 CB ASN A 35 -15.730 5.198 -2.647 1.00 0.00 C ATOM 531 CG ASN A 35 -16.875 5.925 -3.335 1.00 0.00 C ATOM 532 OD1 ASN A 35 -18.046 5.710 -3.015 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.545 6.798 -4.273 1.00 0.00 N ATOM 0 H ASN A 35 -14.162 3.621 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.059 3.919 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.371 5.801 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.900 5.093 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.272 7.322 -4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.564 6.947 -4.509 1.00 0.00 H new ATOM 540 N GLY A 36 -15.561 1.807 -3.388 1.00 0.00 N ATOM 541 CA GLY A 36 -15.780 0.772 -4.385 1.00 0.00 C ATOM 542 C GLY A 36 -14.980 0.971 -5.657 1.00 0.00 C ATOM 543 O GLY A 36 -15.168 0.241 -6.629 1.00 0.00 O ATOM 0 H GLY A 36 -14.746 1.662 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.524 -0.196 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.840 0.739 -4.635 1.00 0.00 H new ATOM 547 N VAL A 37 -14.082 1.945 -5.658 1.00 0.00 N ATOM 548 CA VAL A 37 -13.260 2.214 -6.831 1.00 0.00 C ATOM 549 C VAL A 37 -11.831 1.718 -6.605 1.00 0.00 C ATOM 550 O VAL A 37 -11.394 1.573 -5.462 1.00 0.00 O ATOM 551 CB VAL A 37 -13.256 3.718 -7.176 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.494 4.502 -6.130 1.00 0.00 C ATOM 553 CG2 VAL A 37 -12.684 3.964 -8.567 1.00 0.00 C ATOM 0 H VAL A 37 -13.904 2.560 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.691 1.675 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.289 4.066 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.502 5.560 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.966 4.364 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.464 4.147 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.695 5.033 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.659 3.596 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.289 3.440 -9.307 1.00 0.00 H new ATOM 563 N LYS A 38 -11.122 1.419 -7.684 1.00 0.00 N ATOM 564 CA LYS A 38 -9.730 0.998 -7.583 1.00 0.00 C ATOM 565 C LYS A 38 -8.795 2.161 -7.839 1.00 0.00 C ATOM 566 O LYS A 38 -9.076 3.027 -8.664 1.00 0.00 O ATOM 567 CB LYS A 38 -9.401 -0.127 -8.564 1.00 0.00 C ATOM 568 CG LYS A 38 -9.794 -1.512 -8.085 1.00 0.00 C ATOM 569 CD LYS A 38 -11.303 -1.690 -7.991 1.00 0.00 C ATOM 570 CE LYS A 38 -11.987 -1.506 -9.341 1.00 0.00 C ATOM 571 NZ LYS A 38 -11.488 -2.465 -10.359 1.00 0.00 N ATOM 0 H LYS A 38 -11.485 1.459 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.589 0.628 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.905 0.073 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.330 -0.116 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.385 -2.258 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.348 -1.695 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.527 -2.684 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.709 -0.972 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.063 -1.633 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.824 -0.487 -9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.102 -2.432 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.517 -2.209 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.495 -3.427 -9.963 1.00 0.00 H new ATOM 585 N ILE A 39 -7.688 2.170 -7.125 1.00 0.00 N ATOM 586 CA ILE A 39 -6.670 3.190 -7.301 1.00 0.00 C ATOM 587 C ILE A 39 -5.310 2.541 -7.525 1.00 0.00 C ATOM 588 O ILE A 39 -5.092 1.385 -7.134 1.00 0.00 O ATOM 589 CB ILE A 39 -6.586 4.140 -6.083 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.120 3.384 -4.835 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.935 4.807 -5.839 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.909 4.275 -3.630 1.00 0.00 C ATOM 0 H ILE A 39 -7.468 1.476 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.952 3.779 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.851 4.915 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.857 2.620 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.188 2.866 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.861 5.473 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.221 5.382 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.688 4.044 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.580 3.671 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.150 5.023 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.845 4.773 -3.378 1.00 0.00 H new ATOM 604 N ALA A 40 -4.412 3.276 -8.165 1.00 0.00 N ATOM 605 CA ALA A 40 -3.055 2.805 -8.389 1.00 0.00 C ATOM 606 C ALA A 40 -2.071 3.648 -7.597 1.00 0.00 C ATOM 607 O ALA A 40 -1.765 4.789 -7.962 1.00 0.00 O ATOM 608 CB ALA A 40 -2.711 2.837 -9.872 1.00 0.00 C ATOM 0 H ALA A 40 -4.601 4.206 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.987 1.772 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.691 2.481 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.401 2.195 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.794 3.859 -10.243 1.00 0.00 H new ATOM 614 N VAL A 41 -1.590 3.089 -6.504 1.00 0.00 N ATOM 615 CA VAL A 41 -0.627 3.766 -5.659 1.00 0.00 C ATOM 616 C VAL A 41 0.722 3.087 -5.794 1.00 0.00 C ATOM 617 O VAL A 41 0.830 1.880 -5.616 1.00 0.00 O ATOM 618 CB VAL A 41 -1.065 3.760 -4.180 1.00 0.00 C ATOM 619 CG1 VAL A 41 -0.015 4.415 -3.296 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.402 4.459 -4.018 1.00 0.00 C ATOM 0 H VAL A 41 -1.854 2.159 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.560 4.805 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.173 2.722 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.350 4.397 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.925 3.870 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.133 5.448 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.695 4.445 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.316 5.491 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.156 3.943 -4.612 1.00 0.00 H new ATOM 630 N ALA A 42 1.743 3.848 -6.134 1.00 0.00 N ATOM 631 CA ALA A 42 3.066 3.280 -6.298 1.00 0.00 C ATOM 632 C ALA A 42 3.716 3.084 -4.939 1.00 0.00 C ATOM 633 O ALA A 42 3.734 3.998 -4.114 1.00 0.00 O ATOM 634 CB ALA A 42 3.916 4.160 -7.194 1.00 0.00 C ATOM 0 H ALA A 42 1.684 4.853 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 42 2.979 2.306 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.906 3.717 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.444 4.246 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.010 5.150 -6.748 1.00 0.00 H new ATOM 640 N ALA A 43 4.245 1.887 -4.722 1.00 0.00 N ATOM 641 CA ALA A 43 4.808 1.498 -3.429 1.00 0.00 C ATOM 642 C ALA A 43 6.061 2.295 -3.075 1.00 0.00 C ATOM 643 O ALA A 43 6.587 2.176 -1.973 1.00 0.00 O ATOM 644 CB ALA A 43 5.126 0.012 -3.434 1.00 0.00 C ATOM 0 H ALA A 43 4.297 1.158 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 43 4.059 1.718 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.545 -0.274 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.213 -0.555 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.849 -0.203 -4.221 1.00 0.00 H new ATOM 650 N ASP A 44 6.521 3.113 -4.007 1.00 0.00 N ATOM 651 CA ASP A 44 7.800 3.809 -3.853 1.00 0.00 C ATOM 652 C ASP A 44 7.705 4.962 -2.865 1.00 0.00 C ATOM 653 O ASP A 44 8.602 5.160 -2.045 1.00 0.00 O ATOM 654 CB ASP A 44 8.315 4.341 -5.192 1.00 0.00 C ATOM 655 CG ASP A 44 7.585 5.584 -5.681 1.00 0.00 C ATOM 656 OD1 ASP A 44 6.456 5.458 -6.196 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.141 6.699 -5.548 1.00 0.00 O ATOM 0 H ASP A 44 6.033 3.315 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 44 8.502 3.071 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.377 4.568 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.222 3.557 -5.944 1.00 0.00 H new ATOM 662 N LYS A 45 6.631 5.730 -2.947 1.00 0.00 N ATOM 663 CA LYS A 45 6.478 6.899 -2.095 1.00 0.00 C ATOM 664 C LYS A 45 5.587 6.577 -0.917 1.00 0.00 C ATOM 665 O LYS A 45 5.158 7.460 -0.184 1.00 0.00 O ATOM 666 CB LYS A 45 5.926 8.084 -2.902 1.00 0.00 C ATOM 667 CG LYS A 45 4.825 7.718 -3.886 1.00 0.00 C ATOM 668 CD LYS A 45 3.477 7.537 -3.210 1.00 0.00 C ATOM 669 CE LYS A 45 2.411 7.107 -4.207 1.00 0.00 C ATOM 670 NZ LYS A 45 2.355 8.004 -5.396 1.00 0.00 N ATOM 0 H LYS A 45 5.856 5.567 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 45 7.457 7.184 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.542 8.832 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.746 8.548 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.746 8.497 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.095 6.797 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.561 6.791 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.178 8.471 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.612 6.087 -4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.438 7.098 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.478 7.825 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.375 8.996 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.173 7.818 -6.010 1.00 0.00 H new ATOM 684 N LEU A 46 5.332 5.298 -0.737 1.00 0.00 N ATOM 685 CA LEU A 46 4.422 4.842 0.291 1.00 0.00 C ATOM 686 C LEU A 46 5.140 4.730 1.637 1.00 0.00 C ATOM 687 O LEU A 46 6.366 4.845 1.712 1.00 0.00 O ATOM 688 CB LEU A 46 3.844 3.502 -0.135 1.00 0.00 C ATOM 689 CG LEU A 46 2.486 3.150 0.455 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.469 4.249 0.174 1.00 0.00 C ATOM 691 CD2 LEU A 46 2.016 1.843 -0.135 1.00 0.00 C ATOM 0 H LEU A 46 5.746 4.551 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 46 3.613 5.562 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.761 3.492 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.552 2.719 0.137 1.00 0.00 H new ATOM 0 HG LEU A 46 2.583 3.053 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.507 3.973 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.812 5.184 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.360 4.377 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.043 1.584 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.931 1.942 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.734 1.058 0.102 1.00 0.00 H new ATOM 703 N SER A 47 4.370 4.534 2.698 1.00 0.00 N ATOM 704 CA SER A 47 4.925 4.423 4.035 1.00 0.00 C ATOM 705 C SER A 47 5.632 3.091 4.223 1.00 0.00 C ATOM 706 O SER A 47 5.139 2.045 3.786 1.00 0.00 O ATOM 707 CB SER A 47 3.826 4.617 5.083 1.00 0.00 C ATOM 708 OG SER A 47 4.328 4.500 6.401 1.00 0.00 O ATOM 0 H SER A 47 3.354 4.449 2.656 1.00 0.00 H new ATOM 0 HA SER A 47 5.667 5.210 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.370 5.599 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.040 3.878 4.927 1.00 0.00 H new ATOM 0 HG SER A 47 3.598 4.631 7.042 1.00 0.00 H new ATOM 714 N ASN A 48 6.784 3.144 4.870 1.00 0.00 N ATOM 715 CA ASN A 48 7.620 1.978 5.091 1.00 0.00 C ATOM 716 C ASN A 48 6.804 0.805 5.599 1.00 0.00 C ATOM 717 O ASN A 48 6.861 -0.309 5.066 1.00 0.00 O ATOM 718 CB ASN A 48 8.628 2.322 6.162 1.00 0.00 C ATOM 719 CG ASN A 48 9.930 1.582 6.021 1.00 0.00 C ATOM 720 OD1 ASN A 48 10.085 0.464 6.508 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.883 2.219 5.373 1.00 0.00 N ATOM 0 H ASN A 48 7.168 4.005 5.260 1.00 0.00 H new ATOM 0 HA ASN A 48 8.093 1.706 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.824 3.394 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.198 2.101 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.799 1.785 5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.705 3.146 4.987 1.00 0.00 H new ATOM 728 N GLU A 49 6.021 1.088 6.624 1.00 0.00 N ATOM 729 CA GLU A 49 5.271 0.086 7.319 1.00 0.00 C ATOM 730 C GLU A 49 4.155 -0.458 6.442 1.00 0.00 C ATOM 731 O GLU A 49 3.777 -1.627 6.547 1.00 0.00 O ATOM 732 CB GLU A 49 4.715 0.715 8.582 1.00 0.00 C ATOM 733 CG GLU A 49 3.907 1.972 8.333 1.00 0.00 C ATOM 734 CD GLU A 49 3.427 2.608 9.615 1.00 0.00 C ATOM 735 OE1 GLU A 49 2.596 1.992 10.309 1.00 0.00 O ATOM 736 OE2 GLU A 49 3.891 3.721 9.943 1.00 0.00 O ATOM 0 H GLU A 49 5.894 2.031 6.992 1.00 0.00 H new ATOM 0 HA GLU A 49 5.913 -0.757 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.087 -0.014 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.541 0.952 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.515 2.688 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.049 1.731 7.706 1.00 0.00 H new ATOM 743 N ASP A 50 3.651 0.393 5.561 1.00 0.00 N ATOM 744 CA ASP A 50 2.629 0.021 4.634 1.00 0.00 C ATOM 745 C ASP A 50 3.169 -1.012 3.660 1.00 0.00 C ATOM 746 O ASP A 50 2.470 -1.970 3.317 1.00 0.00 O ATOM 747 CB ASP A 50 2.148 1.271 3.913 1.00 0.00 C ATOM 748 CG ASP A 50 1.263 2.147 4.784 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.724 2.578 5.864 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.107 2.416 4.395 1.00 0.00 O ATOM 0 H ASP A 50 3.951 1.364 5.480 1.00 0.00 H new ATOM 0 HA ASP A 50 1.785 -0.429 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.011 1.849 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.597 0.980 3.019 1.00 0.00 H new ATOM 755 N LEU A 51 4.435 -0.859 3.247 1.00 0.00 N ATOM 756 CA LEU A 51 5.043 -1.852 2.382 1.00 0.00 C ATOM 757 C LEU A 51 5.280 -3.130 3.156 1.00 0.00 C ATOM 758 O LEU A 51 4.959 -4.208 2.678 1.00 0.00 O ATOM 759 CB LEU A 51 6.365 -1.361 1.769 1.00 0.00 C ATOM 760 CG LEU A 51 6.246 -0.288 0.683 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.908 -0.395 -0.022 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.450 1.103 1.259 1.00 0.00 C ATOM 0 H LEU A 51 5.037 -0.074 3.496 1.00 0.00 H new ATOM 0 HA LEU A 51 4.351 -2.036 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.991 -0.970 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.888 -2.220 1.347 1.00 0.00 H new ATOM 0 HG LEU A 51 7.035 -0.458 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.839 0.375 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.818 -1.378 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.104 -0.258 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.360 1.843 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.695 1.295 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.442 1.170 1.706 1.00 0.00 H new ATOM 774 N ALA A 52 5.794 -3.003 4.375 1.00 0.00 N ATOM 775 CA ALA A 52 6.071 -4.169 5.206 1.00 0.00 C ATOM 776 C ALA A 52 4.798 -4.980 5.417 1.00 0.00 C ATOM 777 O ALA A 52 4.832 -6.204 5.560 1.00 0.00 O ATOM 778 CB ALA A 52 6.656 -3.738 6.542 1.00 0.00 C ATOM 0 H ALA A 52 6.026 -2.109 4.808 1.00 0.00 H new ATOM 0 HA ALA A 52 6.801 -4.797 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.858 -4.619 7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.585 -3.193 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.945 -3.093 7.059 1.00 0.00 H new ATOM 784 N TYR A 53 3.677 -4.277 5.417 1.00 0.00 N ATOM 785 CA TYR A 53 2.373 -4.892 5.567 1.00 0.00 C ATOM 786 C TYR A 53 1.951 -5.632 4.288 1.00 0.00 C ATOM 787 O TYR A 53 1.560 -6.808 4.327 1.00 0.00 O ATOM 788 CB TYR A 53 1.370 -3.797 5.923 1.00 0.00 C ATOM 789 CG TYR A 53 -0.072 -4.232 5.876 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.649 -4.928 6.926 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.853 -3.938 4.770 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.970 -5.325 6.873 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.169 -4.327 4.707 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.728 -5.023 5.761 1.00 0.00 C ATOM 795 OH TYR A 53 -4.044 -5.417 5.710 1.00 0.00 O ATOM 0 H TYR A 53 3.648 -3.263 5.313 1.00 0.00 H new ATOM 0 HA TYR A 53 2.409 -5.638 6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.593 -3.429 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.506 -2.960 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.057 -5.163 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.420 -3.394 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.407 -5.869 7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.764 -4.090 3.837 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.440 -5.127 4.862 1.00 0.00 H new ATOM 805 N VAL A 54 2.054 -4.962 3.146 1.00 0.00 N ATOM 806 CA VAL A 54 1.649 -5.574 1.887 1.00 0.00 C ATOM 807 C VAL A 54 2.619 -6.689 1.487 1.00 0.00 C ATOM 808 O VAL A 54 2.233 -7.661 0.823 1.00 0.00 O ATOM 809 CB VAL A 54 1.480 -4.514 0.774 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.640 -3.563 0.742 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.263 -5.156 -0.589 1.00 0.00 C ATOM 0 H VAL A 54 2.409 -4.009 3.066 1.00 0.00 H new ATOM 0 HA VAL A 54 0.671 -6.034 2.030 1.00 0.00 H new ATOM 0 HB VAL A 54 0.584 -3.941 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.489 -2.831 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.715 -3.049 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.560 -4.117 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.149 -4.378 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.121 -5.780 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.363 -5.771 -0.563 1.00 0.00 H new ATOM 821 N GLU A 55 3.870 -6.560 1.918 1.00 0.00 N ATOM 822 CA GLU A 55 4.831 -7.658 1.831 1.00 0.00 C ATOM 823 C GLU A 55 4.298 -8.899 2.539 1.00 0.00 C ATOM 824 O GLU A 55 4.601 -10.020 2.148 1.00 0.00 O ATOM 825 CB GLU A 55 6.172 -7.269 2.456 1.00 0.00 C ATOM 826 CG GLU A 55 6.861 -6.113 1.762 1.00 0.00 C ATOM 827 CD GLU A 55 8.294 -5.934 2.215 1.00 0.00 C ATOM 828 OE1 GLU A 55 9.042 -6.935 2.243 1.00 0.00 O ATOM 829 OE2 GLU A 55 8.687 -4.793 2.529 1.00 0.00 O ATOM 0 H GLU A 55 4.244 -5.706 2.332 1.00 0.00 H new ATOM 0 HA GLU A 55 4.979 -7.875 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.012 -7.008 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.833 -8.135 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.842 -6.277 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.305 -5.195 1.954 1.00 0.00 H new ATOM 836 N LYS A 56 3.507 -8.700 3.587 1.00 0.00 N ATOM 837 CA LYS A 56 2.933 -9.820 4.316 1.00 0.00 C ATOM 838 C LYS A 56 1.709 -10.357 3.600 1.00 0.00 C ATOM 839 O LYS A 56 1.425 -11.554 3.653 1.00 0.00 O ATOM 840 CB LYS A 56 2.587 -9.420 5.754 1.00 0.00 C ATOM 841 CG LYS A 56 3.802 -9.185 6.644 1.00 0.00 C ATOM 842 CD LYS A 56 4.690 -10.421 6.734 1.00 0.00 C ATOM 843 CE LYS A 56 5.638 -10.530 5.547 1.00 0.00 C ATOM 844 NZ LYS A 56 6.247 -11.878 5.445 1.00 0.00 N ATOM 0 H LYS A 56 3.251 -7.781 3.947 1.00 0.00 H new ATOM 0 HA LYS A 56 3.680 -10.612 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.985 -8.512 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.970 -10.201 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.382 -8.349 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.471 -8.903 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.268 -10.386 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.066 -11.313 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.096 -10.307 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.426 -9.783 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.885 -11.909 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.786 -12.082 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.498 -12.590 5.328 1.00 0.00 H new ATOM 858 N ILE A 57 0.987 -9.469 2.932 1.00 0.00 N ATOM 859 CA ILE A 57 -0.149 -9.879 2.110 1.00 0.00 C ATOM 860 C ILE A 57 0.304 -10.772 0.955 1.00 0.00 C ATOM 861 O ILE A 57 -0.341 -11.772 0.640 1.00 0.00 O ATOM 862 CB ILE A 57 -0.904 -8.669 1.521 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.227 -7.660 2.619 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.185 -9.127 0.823 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.867 -6.393 2.098 1.00 0.00 C ATOM 0 H ILE A 57 1.164 -8.464 2.941 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.820 -10.430 2.769 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.263 -8.186 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.895 -8.124 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.309 -7.404 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.705 -8.261 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.933 -9.815 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.831 -9.632 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.070 -5.719 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.191 -5.907 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.801 -6.638 1.593 1.00 0.00 H new ATOM 877 N THR A 58 1.421 -10.417 0.333 1.00 0.00 N ATOM 878 CA THR A 58 1.842 -11.088 -0.894 1.00 0.00 C ATOM 879 C THR A 58 3.041 -12.012 -0.701 1.00 0.00 C ATOM 880 O THR A 58 3.045 -13.151 -1.173 1.00 0.00 O ATOM 881 CB THR A 58 2.190 -10.063 -1.983 1.00 0.00 C ATOM 882 OG1 THR A 58 3.101 -9.087 -1.462 1.00 0.00 O ATOM 883 CG2 THR A 58 0.942 -9.377 -2.507 1.00 0.00 C ATOM 0 H THR A 58 2.047 -9.677 0.652 1.00 0.00 H new ATOM 0 HA THR A 58 0.992 -11.700 -1.196 1.00 0.00 H new ATOM 0 HB THR A 58 2.661 -10.593 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.652 -8.556 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.219 -8.657 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.269 -10.122 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.441 -8.859 -1.689 1.00 0.00 H new ATOM 891 N GLY A 59 4.058 -11.522 -0.016 1.00 0.00 N ATOM 892 CA GLY A 59 5.298 -12.255 0.096 1.00 0.00 C ATOM 893 C GLY A 59 6.387 -11.619 -0.740 1.00 0.00 C ATOM 894 O GLY A 59 7.545 -12.030 -0.687 1.00 0.00 O ATOM 0 H GLY A 59 4.047 -10.624 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.610 -12.289 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.145 -13.285 -0.225 1.00 0.00 H new ATOM 898 N PHE A 60 6.016 -10.601 -1.510 1.00 0.00 N ATOM 899 CA PHE A 60 6.973 -9.897 -2.346 1.00 0.00 C ATOM 900 C PHE A 60 7.662 -8.804 -1.551 1.00 0.00 C ATOM 901 O PHE A 60 7.027 -8.082 -0.786 1.00 0.00 O ATOM 902 CB PHE A 60 6.293 -9.292 -3.572 1.00 0.00 C ATOM 903 CG PHE A 60 5.604 -10.305 -4.441 1.00 0.00 C ATOM 904 CD1 PHE A 60 6.338 -11.247 -5.142 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.225 -10.318 -4.551 1.00 0.00 C ATOM 906 CE1 PHE A 60 5.707 -12.181 -5.942 1.00 0.00 C ATOM 907 CE2 PHE A 60 3.588 -11.248 -5.348 1.00 0.00 C ATOM 908 CZ PHE A 60 4.330 -12.181 -6.045 1.00 0.00 C ATOM 0 H PHE A 60 5.061 -10.248 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 60 7.716 -10.619 -2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.563 -8.552 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.038 -8.763 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.415 -11.252 -5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.640 -9.592 -4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.290 -12.910 -6.486 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.511 -11.246 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.834 -12.909 -6.670 1.00 0.00 H new ATOM 918 N SER A 61 8.964 -8.698 -1.731 1.00 0.00 N ATOM 919 CA SER A 61 9.767 -7.753 -1.020 1.00 0.00 C ATOM 920 C SER A 61 9.585 -6.336 -1.565 1.00 0.00 C ATOM 921 O SER A 61 10.149 -5.978 -2.600 1.00 0.00 O ATOM 922 CB SER A 61 11.210 -8.199 -1.166 1.00 0.00 C ATOM 923 OG SER A 61 11.338 -9.592 -0.922 1.00 0.00 O ATOM 0 H SER A 61 9.490 -9.278 -2.385 1.00 0.00 H new ATOM 0 HA SER A 61 9.469 -7.722 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.566 -7.968 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.838 -7.645 -0.469 1.00 0.00 H new ATOM 0 HG SER A 61 12.276 -9.857 -1.023 1.00 0.00 H new ATOM 929 N LEU A 62 8.787 -5.531 -0.872 1.00 0.00 N ATOM 930 CA LEU A 62 8.658 -4.117 -1.210 1.00 0.00 C ATOM 931 C LEU A 62 9.608 -3.307 -0.354 1.00 0.00 C ATOM 932 O LEU A 62 9.473 -2.097 -0.211 1.00 0.00 O ATOM 933 CB LEU A 62 7.217 -3.612 -1.036 1.00 0.00 C ATOM 934 CG LEU A 62 6.160 -4.456 -1.755 1.00 0.00 C ATOM 935 CD1 LEU A 62 4.798 -3.804 -1.653 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.538 -4.668 -3.215 1.00 0.00 C ATOM 0 H LEU A 62 8.222 -5.830 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 62 8.914 -3.996 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.980 -3.584 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.157 -2.587 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 62 6.116 -5.430 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.061 -4.419 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.519 -3.707 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.832 -2.816 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.773 -5.270 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.615 -3.702 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.497 -5.184 -3.271 1.00 0.00 H new ATOM 948 N GLU A 63 10.590 -3.994 0.200 1.00 0.00 N ATOM 949 CA GLU A 63 11.577 -3.382 1.039 1.00 0.00 C ATOM 950 C GLU A 63 12.542 -2.571 0.194 1.00 0.00 C ATOM 951 O GLU A 63 13.076 -1.555 0.633 1.00 0.00 O ATOM 952 CB GLU A 63 12.280 -4.472 1.819 1.00 0.00 C ATOM 953 CG GLU A 63 13.390 -3.971 2.694 1.00 0.00 C ATOM 954 CD GLU A 63 13.820 -5.007 3.701 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.071 -5.227 4.676 1.00 0.00 O ATOM 956 OE2 GLU A 63 14.890 -5.620 3.513 1.00 0.00 O ATOM 0 H GLU A 63 10.717 -4.998 0.073 1.00 0.00 H new ATOM 0 HA GLU A 63 11.114 -2.692 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.549 -4.992 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.684 -5.204 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.242 -3.690 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.064 -3.071 3.215 1.00 0.00 H new ATOM 963 N LYS A 64 12.725 -3.010 -1.044 1.00 0.00 N ATOM 964 CA LYS A 64 13.446 -2.229 -2.034 1.00 0.00 C ATOM 965 C LYS A 64 12.689 -0.936 -2.330 1.00 0.00 C ATOM 966 O LYS A 64 13.236 0.002 -2.908 1.00 0.00 O ATOM 967 CB LYS A 64 13.644 -3.046 -3.316 1.00 0.00 C ATOM 968 CG LYS A 64 12.362 -3.665 -3.862 1.00 0.00 C ATOM 969 CD LYS A 64 12.634 -4.614 -5.027 1.00 0.00 C ATOM 970 CE LYS A 64 12.605 -3.910 -6.382 1.00 0.00 C ATOM 971 NZ LYS A 64 13.638 -2.843 -6.509 1.00 0.00 N ATOM 0 H LYS A 64 12.381 -3.908 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 64 14.429 -1.974 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.079 -2.403 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.364 -3.841 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.853 -4.207 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.688 -2.873 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.608 -5.084 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.891 -5.412 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.754 -4.647 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.619 -3.473 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.804 -2.639 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.307 -1.981 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.524 -3.164 -6.070 1.00 0.00 H new ATOM 985 N PHE A 65 11.428 -0.892 -1.910 1.00 0.00 N ATOM 986 CA PHE A 65 10.604 0.291 -2.098 1.00 0.00 C ATOM 987 C PHE A 65 10.434 1.030 -0.778 1.00 0.00 C ATOM 988 O PHE A 65 9.888 2.133 -0.749 1.00 0.00 O ATOM 989 CB PHE A 65 9.229 -0.077 -2.662 1.00 0.00 C ATOM 990 CG PHE A 65 9.270 -0.662 -4.043 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.384 0.158 -5.152 1.00 0.00 C ATOM 992 CD2 PHE A 65 9.191 -2.033 -4.230 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.418 -0.377 -6.424 1.00 0.00 C ATOM 994 CE2 PHE A 65 9.226 -2.573 -5.500 1.00 0.00 C ATOM 995 CZ PHE A 65 9.341 -1.743 -6.598 1.00 0.00 C ATOM 0 H PHE A 65 10.957 -1.664 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 65 11.109 0.939 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.752 -0.791 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.603 0.815 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.447 1.228 -5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.101 -2.685 -3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.505 0.273 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.164 -3.643 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.371 -2.163 -7.592 1.00 0.00 H new ATOM 1005 N LYS A 66 10.912 0.423 0.310 1.00 0.00 N ATOM 1006 CA LYS A 66 10.772 1.022 1.633 1.00 0.00 C ATOM 1007 C LYS A 66 11.461 2.371 1.691 1.00 0.00 C ATOM 1008 O LYS A 66 12.643 2.506 1.365 1.00 0.00 O ATOM 1009 CB LYS A 66 11.356 0.142 2.735 1.00 0.00 C ATOM 1010 CG LYS A 66 10.501 -1.047 3.158 1.00 0.00 C ATOM 1011 CD LYS A 66 11.065 -1.676 4.427 1.00 0.00 C ATOM 1012 CE LYS A 66 10.114 -2.681 5.062 1.00 0.00 C ATOM 1013 NZ LYS A 66 10.218 -4.035 4.458 1.00 0.00 N ATOM 0 H LYS A 66 11.395 -0.475 0.299 1.00 0.00 H new ATOM 0 HA LYS A 66 9.701 1.134 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.324 -0.231 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.539 0.764 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.474 -0.723 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.473 -1.787 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.007 -2.172 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.289 -0.890 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.323 -2.748 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.090 -2.320 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.736 -4.725 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.771 -4.032 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.220 -4.297 4.363 1.00 0.00 H new ATOM 1027 N ALA A 67 10.709 3.352 2.116 1.00 0.00 N ATOM 1028 CA ALA A 67 11.222 4.692 2.305 1.00 0.00 C ATOM 1029 C ALA A 67 11.298 4.995 3.788 1.00 0.00 C ATOM 1030 O ALA A 67 10.307 4.847 4.504 1.00 0.00 O ATOM 1031 CB ALA A 67 10.336 5.701 1.595 1.00 0.00 C ATOM 0 H ALA A 67 9.720 3.248 2.343 1.00 0.00 H new ATOM 0 HA ALA A 67 12.222 4.761 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.734 6.704 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.312 5.477 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.326 5.647 2.000 1.00 0.00 H new ATOM 1037 N ASN A 68 12.470 5.377 4.257 1.00 0.00 N ATOM 1038 CA ASN A 68 12.666 5.641 5.673 1.00 0.00 C ATOM 1039 C ASN A 68 12.526 7.127 5.948 1.00 0.00 C ATOM 1040 O ASN A 68 11.404 7.566 6.269 1.00 0.00 O ATOM 1041 CB ASN A 68 14.037 5.143 6.150 1.00 0.00 C ATOM 1042 CG ASN A 68 14.157 3.627 6.146 1.00 0.00 C ATOM 1043 OD1 ASN A 68 13.637 2.942 5.265 1.00 0.00 O ATOM 1044 ND2 ASN A 68 14.838 3.089 7.143 1.00 0.00 N ATOM 1045 OXT ASN A 68 13.527 7.860 5.816 1.00 0.00 O ATOM 0 H ASN A 68 13.301 5.512 3.681 1.00 0.00 H new ATOM 0 HA ASN A 68 11.900 5.098 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.812 5.564 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.220 5.513 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.946 2.076 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.256 3.687 7.856 1.00 0.00 H new TER 1052 ASN A 68