USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 852 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 67 LYS NZ :NH3+ 148:sc= 1.24 (180deg=-0.198) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 1.12 USER MOD Set 2.1: A 27 SER OG : rot 82:sc= 1.1 USER MOD Set 2.2: A 61 THR OG1 : rot 70:sc= 0.0188 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= -0.136 USER MOD Set 3.2: A 49 THR OG1 : rot 75:sc= 1.23 USER MOD Set 4.1: A 26 MET CE :methyl -116:sc= -3.11 (180deg=-3.57!) USER MOD Set 4.2: A 80 CYS SG : rot -53:sc= -0.109 USER MOD Set 4.3: A 88 THR OG1 : rot 87:sc= -0.231 USER MOD Single : A 10 THR OG1 : rot -18:sc= 0.283 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc=-0.00692 (180deg=-0.0715) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0463 (180deg=-0.341) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0224) USER MOD Single : A 28 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.1!) USER MOD Single : A 32 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.19) USER MOD Single : A 33 CYS SG : rot 75:sc= 0.347 USER MOD Single : A 35 ASN : amide:sc= 1.22 K(o=1.2,f=-3.3!) USER MOD Single : A 37 TYR OH : rot -60:sc= -0.337 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 72:sc= -3.79! USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 1.28 (180deg=0.665) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= -0.415 (180deg=-2.33!) USER MOD Single : A 55 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.012) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.05) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc=-0.00381 (180deg=-0.133) USER MOD Single : A 72 CYS SG : rot -90:sc= 0.7 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.6!) USER MOD Single : A 81 ASN : amide:sc= -4.33! C(o=-4.3!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -1.75! C(o=-1.8!,f=-5.5!) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.18) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0278) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.146 (180deg=-0.561) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.0107 (180deg=-0.145) USER MOD Single : A 95 TYR OH : rot 49:sc= 0.976 USER MOD Single : A 96 MET CE :methyl 164:sc= -2.19 (180deg=-2.73!) USER MOD Single : A 97 GLN : amide:sc= 0.151 K(o=0.15,f=-3.9!) USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= 0.103 (180deg=-0.0479) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= -0.0164 (180deg=-0.215) USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.00547 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -2.771 -23.181 4.448 1.00 0.00 N ATOM 2 CA THR A 10 -3.163 -22.447 5.598 1.00 0.00 C ATOM 3 C THR A 10 -2.778 -21.003 5.398 1.00 0.00 C ATOM 4 O THR A 10 -1.648 -20.590 5.697 1.00 0.00 O ATOM 5 CB THR A 10 -2.529 -23.032 6.882 1.00 0.00 C ATOM 6 OG1 THR A 10 -1.143 -23.354 6.635 1.00 0.00 O ATOM 7 CG2 THR A 10 -3.271 -24.281 7.349 1.00 0.00 C ATOM 0 HA THR A 10 -4.243 -22.519 5.727 1.00 0.00 H new ATOM 0 HB THR A 10 -2.601 -22.281 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.986 -23.403 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.800 -24.667 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.310 -24.029 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.233 -25.040 6.568 1.00 0.00 H new ATOM 15 N SER A 11 -3.692 -20.256 4.845 1.00 0.00 N ATOM 16 CA SER A 11 -3.462 -18.876 4.485 1.00 0.00 C ATOM 17 C SER A 11 -3.547 -17.970 5.641 1.00 0.00 C ATOM 18 O SER A 11 -3.256 -16.799 5.529 1.00 0.00 O ATOM 19 CB SER A 11 -4.423 -18.457 3.447 1.00 0.00 C ATOM 20 OG SER A 11 -4.274 -19.250 2.286 1.00 0.00 O ATOM 0 H SER A 11 -4.631 -20.588 4.627 1.00 0.00 H new ATOM 0 HA SER A 11 -2.445 -18.811 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.440 -18.546 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.266 -17.407 3.200 1.00 0.00 H new ATOM 0 HG SER A 11 -4.919 -18.961 1.607 1.00 0.00 H new ATOM 26 N SER A 12 -3.952 -18.485 6.726 1.00 0.00 N ATOM 27 CA SER A 12 -3.969 -17.750 7.900 1.00 0.00 C ATOM 28 C SER A 12 -2.519 -17.394 8.268 1.00 0.00 C ATOM 29 O SER A 12 -2.163 -16.216 8.423 1.00 0.00 O ATOM 30 CB SER A 12 -4.679 -18.597 8.929 1.00 0.00 C ATOM 31 OG SER A 12 -4.146 -19.930 8.936 1.00 0.00 O ATOM 0 H SER A 12 -4.285 -19.445 6.818 1.00 0.00 H new ATOM 0 HA SER A 12 -4.503 -16.803 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.568 -18.149 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.746 -18.627 8.711 1.00 0.00 H new ATOM 0 HG SER A 12 -4.615 -20.466 9.609 1.00 0.00 H new ATOM 37 N GLU A 13 -1.676 -18.409 8.334 1.00 0.00 N ATOM 38 CA GLU A 13 -0.265 -18.251 8.645 1.00 0.00 C ATOM 39 C GLU A 13 0.559 -17.810 7.432 1.00 0.00 C ATOM 40 O GLU A 13 1.453 -16.983 7.567 1.00 0.00 O ATOM 41 CB GLU A 13 0.284 -19.528 9.268 1.00 0.00 C ATOM 42 CG GLU A 13 0.079 -20.777 8.401 1.00 0.00 C ATOM 43 CD GLU A 13 0.486 -22.044 9.101 1.00 0.00 C ATOM 44 OE1 GLU A 13 -0.072 -22.336 10.179 1.00 0.00 O ATOM 45 OE2 GLU A 13 1.372 -22.769 8.607 1.00 0.00 O ATOM 0 H GLU A 13 -1.954 -19.377 8.172 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.177 -17.446 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.350 -19.400 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.195 -19.685 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.970 -20.847 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.655 -20.674 7.481 1.00 0.00 H new ATOM 52 N LEU A 14 0.230 -18.353 6.248 1.00 0.00 N ATOM 53 CA LEU A 14 0.953 -18.047 4.993 1.00 0.00 C ATOM 54 C LEU A 14 0.887 -16.562 4.760 1.00 0.00 C ATOM 55 O LEU A 14 1.893 -15.888 4.537 1.00 0.00 O ATOM 56 CB LEU A 14 0.260 -18.798 3.822 1.00 0.00 C ATOM 57 CG LEU A 14 0.968 -18.885 2.435 1.00 0.00 C ATOM 58 CD1 LEU A 14 0.248 -19.901 1.561 1.00 0.00 C ATOM 59 CD2 LEU A 14 0.982 -17.541 1.708 1.00 0.00 C ATOM 0 H LEU A 14 -0.539 -19.013 6.129 1.00 0.00 H new ATOM 0 HA LEU A 14 1.994 -18.363 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.071 -19.818 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.711 -18.329 3.663 1.00 0.00 H new ATOM 0 HG LEU A 14 2.000 -19.186 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.742 -19.962 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.273 -20.878 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.788 -19.592 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.485 -17.652 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.042 -17.205 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.513 -16.806 2.313 1.00 0.00 H new ATOM 71 N ALA A 15 -0.282 -16.053 4.967 1.00 0.00 N ATOM 72 CA ALA A 15 -0.537 -14.708 4.686 1.00 0.00 C ATOM 73 C ALA A 15 -0.172 -13.831 5.829 1.00 0.00 C ATOM 74 O ALA A 15 -0.103 -12.652 5.662 1.00 0.00 O ATOM 75 CB ALA A 15 -1.922 -14.466 4.264 1.00 0.00 C ATOM 0 H ALA A 15 -1.079 -16.572 5.337 1.00 0.00 H new ATOM 0 HA ALA A 15 0.101 -14.451 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.060 -13.404 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.133 -15.040 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.603 -14.774 5.057 1.00 0.00 H new ATOM 81 N LYS A 16 0.089 -14.411 6.993 1.00 0.00 N ATOM 82 CA LYS A 16 0.554 -13.631 8.131 1.00 0.00 C ATOM 83 C LYS A 16 1.893 -13.018 7.750 1.00 0.00 C ATOM 84 O LYS A 16 2.186 -11.856 8.056 1.00 0.00 O ATOM 85 CB LYS A 16 0.710 -14.518 9.374 1.00 0.00 C ATOM 86 CG LYS A 16 1.137 -13.768 10.632 1.00 0.00 C ATOM 87 CD LYS A 16 1.367 -14.708 11.815 1.00 0.00 C ATOM 88 CE LYS A 16 0.118 -15.504 12.187 1.00 0.00 C ATOM 89 NZ LYS A 16 -1.029 -14.638 12.523 1.00 0.00 N ATOM 0 H LYS A 16 -0.012 -15.410 7.173 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.171 -12.854 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.238 -15.020 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.444 -15.295 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.052 -13.212 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.372 -13.037 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.174 -15.399 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.693 -14.127 12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.154 -16.155 11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.343 -16.149 13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.818 -15.223 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.750 -13.965 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.329 -14.115 11.676 1.00 0.00 H new ATOM 103 N LYS A 17 2.671 -13.794 7.020 1.00 0.00 N ATOM 104 CA LYS A 17 3.922 -13.331 6.502 1.00 0.00 C ATOM 105 C LYS A 17 3.672 -12.444 5.284 1.00 0.00 C ATOM 106 O LYS A 17 4.331 -11.430 5.109 1.00 0.00 O ATOM 107 CB LYS A 17 4.880 -14.496 6.158 1.00 0.00 C ATOM 108 CG LYS A 17 5.519 -15.224 7.366 1.00 0.00 C ATOM 109 CD LYS A 17 4.511 -15.965 8.243 1.00 0.00 C ATOM 110 CE LYS A 17 5.200 -16.705 9.389 1.00 0.00 C ATOM 111 NZ LYS A 17 4.242 -17.483 10.212 1.00 0.00 N ATOM 0 H LYS A 17 2.445 -14.758 6.776 1.00 0.00 H new ATOM 0 HA LYS A 17 4.416 -12.746 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.332 -15.228 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.680 -14.109 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.259 -15.935 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.052 -14.495 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.790 -15.255 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.951 -16.675 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.956 -17.377 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.720 -15.986 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.755 -17.968 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.535 -16.840 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.764 -18.188 9.615 1.00 0.00 H new ATOM 125 N SER A 18 2.679 -12.800 4.471 1.00 0.00 N ATOM 126 CA SER A 18 2.347 -11.999 3.297 1.00 0.00 C ATOM 127 C SER A 18 1.855 -10.595 3.692 1.00 0.00 C ATOM 128 O SER A 18 2.040 -9.676 2.959 1.00 0.00 O ATOM 129 CB SER A 18 1.333 -12.691 2.405 1.00 0.00 C ATOM 130 OG SER A 18 1.764 -13.993 2.052 1.00 0.00 O ATOM 0 H SER A 18 2.097 -13.628 4.602 1.00 0.00 H new ATOM 0 HA SER A 18 3.268 -11.887 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.373 -12.750 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.176 -12.100 1.503 1.00 0.00 H new ATOM 0 HG SER A 18 1.091 -14.416 1.479 1.00 0.00 H new ATOM 136 N LYS A 19 1.252 -10.457 4.865 1.00 0.00 N ATOM 137 CA LYS A 19 0.784 -9.164 5.370 1.00 0.00 C ATOM 138 C LYS A 19 1.962 -8.250 5.536 1.00 0.00 C ATOM 139 O LYS A 19 1.972 -7.166 4.979 1.00 0.00 O ATOM 140 CB LYS A 19 0.055 -9.315 6.727 1.00 0.00 C ATOM 141 CG LYS A 19 -1.183 -10.163 6.737 1.00 0.00 C ATOM 142 CD LYS A 19 -2.337 -9.438 6.141 1.00 0.00 C ATOM 143 CE LYS A 19 -3.544 -10.312 6.140 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.989 -10.680 7.503 1.00 0.00 N ATOM 0 H LYS A 19 1.071 -11.237 5.497 1.00 0.00 H new ATOM 0 HA LYS A 19 0.076 -8.750 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.759 -9.733 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.212 -8.320 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.001 -11.083 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.421 -10.452 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.537 -8.529 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.098 -9.133 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.356 -9.801 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.329 -11.220 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.961 -11.049 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.357 -11.410 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.962 -9.840 8.116 1.00 0.00 H new ATOM 158 N GLU A 20 2.979 -8.708 6.247 1.00 0.00 N ATOM 159 CA GLU A 20 4.134 -7.885 6.478 1.00 0.00 C ATOM 160 C GLU A 20 4.937 -7.669 5.205 1.00 0.00 C ATOM 161 O GLU A 20 5.426 -6.570 4.971 1.00 0.00 O ATOM 162 CB GLU A 20 5.006 -8.385 7.631 1.00 0.00 C ATOM 163 CG GLU A 20 5.503 -9.799 7.499 1.00 0.00 C ATOM 164 CD GLU A 20 6.453 -10.152 8.591 1.00 0.00 C ATOM 165 OE1 GLU A 20 6.012 -10.423 9.714 1.00 0.00 O ATOM 166 OE2 GLU A 20 7.670 -10.130 8.361 1.00 0.00 O ATOM 0 H GLU A 20 3.021 -9.637 6.667 1.00 0.00 H new ATOM 0 HA GLU A 20 3.756 -6.912 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.867 -7.723 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.436 -8.303 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.657 -10.486 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.995 -9.924 6.534 1.00 0.00 H new ATOM 173 N VAL A 21 5.030 -8.694 4.370 1.00 0.00 N ATOM 174 CA VAL A 21 5.757 -8.587 3.120 1.00 0.00 C ATOM 175 C VAL A 21 5.061 -7.609 2.203 1.00 0.00 C ATOM 176 O VAL A 21 5.675 -6.637 1.769 1.00 0.00 O ATOM 177 CB VAL A 21 5.965 -9.967 2.428 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.599 -9.804 1.055 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.849 -10.851 3.291 1.00 0.00 C ATOM 0 H VAL A 21 4.610 -9.608 4.538 1.00 0.00 H new ATOM 0 HA VAL A 21 6.754 -8.211 3.348 1.00 0.00 H new ATOM 0 HB VAL A 21 4.987 -10.432 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.732 -10.784 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.951 -9.194 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.569 -9.317 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.990 -11.814 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.817 -10.371 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.375 -11.003 4.261 1.00 0.00 H new ATOM 189 N PHE A 22 3.772 -7.809 2.006 1.00 0.00 N ATOM 190 CA PHE A 22 2.956 -6.946 1.165 1.00 0.00 C ATOM 191 C PHE A 22 2.960 -5.536 1.681 1.00 0.00 C ATOM 192 O PHE A 22 3.259 -4.602 0.922 1.00 0.00 O ATOM 193 CB PHE A 22 1.499 -7.475 1.083 1.00 0.00 C ATOM 194 CG PHE A 22 0.468 -6.403 0.786 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.423 -5.778 -0.437 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.411 -5.990 1.765 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.478 -4.770 -0.683 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.305 -4.982 1.523 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.342 -4.370 0.301 1.00 0.00 C ATOM 0 H PHE A 22 3.255 -8.581 2.427 1.00 0.00 H new ATOM 0 HA PHE A 22 3.388 -6.952 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.445 -8.241 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.245 -7.957 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.106 -6.083 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.394 -6.467 2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.505 -4.294 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.985 -4.669 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.049 -3.575 0.113 1.00 0.00 H new ATOM 209 N ARG A 23 2.627 -5.363 2.970 1.00 0.00 N ATOM 210 CA ARG A 23 2.597 -4.023 3.522 1.00 0.00 C ATOM 211 C ARG A 23 3.955 -3.350 3.375 1.00 0.00 C ATOM 212 O ARG A 23 4.016 -2.181 3.105 1.00 0.00 O ATOM 213 CB ARG A 23 2.116 -3.952 4.987 1.00 0.00 C ATOM 214 CG ARG A 23 3.104 -4.485 6.010 1.00 0.00 C ATOM 215 CD ARG A 23 3.307 -3.516 7.159 1.00 0.00 C ATOM 216 NE ARG A 23 4.388 -3.949 8.061 1.00 0.00 N ATOM 217 CZ ARG A 23 4.409 -3.830 9.398 1.00 0.00 C ATOM 218 NH1 ARG A 23 3.325 -3.434 10.059 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.519 -4.137 10.070 1.00 0.00 N ATOM 0 H ARG A 23 2.385 -6.111 3.619 1.00 0.00 H new ATOM 0 HA ARG A 23 1.853 -3.482 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.888 -2.914 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.185 -4.512 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.746 -5.438 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.061 -4.678 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.539 -2.527 6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.379 -3.423 7.723 1.00 0.00 H new ATOM 0 HE ARG A 23 5.202 -4.383 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.468 -3.218 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.351 -3.347 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.346 -4.460 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.541 -4.049 11.086 1.00 0.00 H new ATOM 233 N LYS A 24 5.031 -4.124 3.476 1.00 0.00 N ATOM 234 CA LYS A 24 6.376 -3.587 3.391 1.00 0.00 C ATOM 235 C LYS A 24 6.644 -3.051 1.978 1.00 0.00 C ATOM 236 O LYS A 24 7.050 -1.878 1.807 1.00 0.00 O ATOM 237 CB LYS A 24 7.381 -4.667 3.762 1.00 0.00 C ATOM 238 CG LYS A 24 8.809 -4.219 3.923 1.00 0.00 C ATOM 239 CD LYS A 24 9.658 -5.387 4.388 1.00 0.00 C ATOM 240 CE LYS A 24 11.106 -4.998 4.591 1.00 0.00 C ATOM 241 NZ LYS A 24 11.789 -4.673 3.325 1.00 0.00 N ATOM 0 H LYS A 24 4.992 -5.133 3.618 1.00 0.00 H new ATOM 0 HA LYS A 24 6.480 -2.759 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.059 -5.128 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.349 -5.442 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.189 -3.834 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.866 -3.404 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.254 -5.778 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.599 -6.191 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.157 -4.138 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.632 -5.815 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.794 -4.479 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.707 -5.477 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.348 -3.833 2.898 1.00 0.00 H new ATOM 255 N GLU A 25 6.338 -3.867 0.961 1.00 0.00 N ATOM 256 CA GLU A 25 6.580 -3.460 -0.396 1.00 0.00 C ATOM 257 C GLU A 25 5.624 -2.396 -0.868 1.00 0.00 C ATOM 258 O GLU A 25 5.954 -1.583 -1.726 1.00 0.00 O ATOM 259 CB GLU A 25 6.697 -4.620 -1.368 1.00 0.00 C ATOM 260 CG GLU A 25 5.938 -5.853 -1.029 1.00 0.00 C ATOM 261 CD GLU A 25 6.337 -6.972 -1.929 1.00 0.00 C ATOM 262 OE1 GLU A 25 7.331 -7.664 -1.622 1.00 0.00 O ATOM 263 OE2 GLU A 25 5.728 -7.154 -2.979 1.00 0.00 O ATOM 0 H GLU A 25 5.929 -4.796 1.066 1.00 0.00 H new ATOM 0 HA GLU A 25 7.567 -2.997 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.368 -4.277 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.751 -4.883 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.124 -6.129 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.868 -5.666 -1.122 1.00 0.00 H new ATOM 270 N MET A 26 4.458 -2.375 -0.313 1.00 0.00 N ATOM 271 CA MET A 26 3.534 -1.336 -0.634 1.00 0.00 C ATOM 272 C MET A 26 3.871 -0.040 0.093 1.00 0.00 C ATOM 273 O MET A 26 3.734 1.013 -0.462 1.00 0.00 O ATOM 274 CB MET A 26 2.129 -1.782 -0.369 1.00 0.00 C ATOM 275 CG MET A 26 1.077 -0.750 -0.773 1.00 0.00 C ATOM 276 SD MET A 26 1.464 0.095 -2.344 1.00 0.00 S ATOM 277 CE MET A 26 0.987 -1.030 -3.639 1.00 0.00 C ATOM 0 H MET A 26 4.122 -3.062 0.362 1.00 0.00 H new ATOM 0 HA MET A 26 3.618 -1.123 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.943 -2.710 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.020 -2.004 0.693 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.109 -1.243 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.984 -0.006 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.870 -1.331 -4.203 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.519 -1.911 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.280 -0.537 -4.307 1.00 0.00 H new ATOM 287 N SER A 27 4.365 -0.141 1.316 1.00 0.00 N ATOM 288 CA SER A 27 4.776 1.025 2.053 1.00 0.00 C ATOM 289 C SER A 27 5.877 1.693 1.295 1.00 0.00 C ATOM 290 O SER A 27 5.858 2.885 1.122 1.00 0.00 O ATOM 291 CB SER A 27 5.252 0.705 3.487 1.00 0.00 C ATOM 292 OG SER A 27 4.226 0.121 4.283 1.00 0.00 O ATOM 0 H SER A 27 4.488 -1.023 1.813 1.00 0.00 H new ATOM 0 HA SER A 27 3.908 1.677 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.103 0.026 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.601 1.621 3.964 1.00 0.00 H new ATOM 0 HG SER A 27 4.170 -0.839 4.092 1.00 0.00 H new ATOM 298 N GLN A 28 6.786 0.897 0.750 1.00 0.00 N ATOM 299 CA GLN A 28 7.914 1.480 0.029 1.00 0.00 C ATOM 300 C GLN A 28 7.471 2.061 -1.285 1.00 0.00 C ATOM 301 O GLN A 28 7.874 3.152 -1.665 1.00 0.00 O ATOM 302 CB GLN A 28 9.042 0.493 -0.189 1.00 0.00 C ATOM 303 CG GLN A 28 8.711 -0.713 -0.997 1.00 0.00 C ATOM 304 CD GLN A 28 9.869 -1.667 -1.190 1.00 0.00 C ATOM 305 OE1 GLN A 28 9.675 -2.874 -1.317 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.065 -1.156 -1.231 1.00 0.00 N ATOM 0 H GLN A 28 6.771 -0.122 0.789 1.00 0.00 H new ATOM 0 HA GLN A 28 8.302 2.280 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.866 1.016 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.403 0.164 0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.892 -1.246 -0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.351 -0.394 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.194 -0.150 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.874 -1.761 -1.372 1.00 0.00 H new ATOM 315 N PHE A 29 6.666 1.297 -1.972 1.00 0.00 N ATOM 316 CA PHE A 29 6.042 1.710 -3.225 1.00 0.00 C ATOM 317 C PHE A 29 5.312 3.045 -3.040 1.00 0.00 C ATOM 318 O PHE A 29 5.529 3.983 -3.806 1.00 0.00 O ATOM 319 CB PHE A 29 5.071 0.627 -3.720 1.00 0.00 C ATOM 320 CG PHE A 29 4.374 0.949 -5.005 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.985 0.700 -6.213 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.102 1.501 -5.002 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.346 0.994 -7.393 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.464 1.792 -6.170 1.00 0.00 C ATOM 325 CZ PHE A 29 3.081 1.542 -7.366 1.00 0.00 C ATOM 0 H PHE A 29 6.413 0.352 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 29 6.820 1.844 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.622 -0.305 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.320 0.452 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.975 0.270 -6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.611 1.703 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.832 0.797 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.472 2.220 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.575 1.775 -8.292 1.00 0.00 H new ATOM 335 N ILE A 30 4.469 3.117 -2.027 1.00 0.00 N ATOM 336 CA ILE A 30 3.736 4.325 -1.707 1.00 0.00 C ATOM 337 C ILE A 30 4.681 5.427 -1.331 1.00 0.00 C ATOM 338 O ILE A 30 4.541 6.544 -1.819 1.00 0.00 O ATOM 339 CB ILE A 30 2.690 4.108 -0.595 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.566 3.229 -1.128 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.151 5.450 -0.096 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.616 2.729 -0.078 1.00 0.00 C ATOM 0 H ILE A 30 4.273 2.336 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 30 3.189 4.612 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 30 3.158 3.607 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.002 3.793 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.004 2.373 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.414 5.277 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.972 6.046 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.682 5.984 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.151 2.112 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.163 2.135 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.146 3.577 0.421 1.00 0.00 H new ATOM 354 N VAL A 31 5.641 5.121 -0.476 1.00 0.00 N ATOM 355 CA VAL A 31 6.679 6.091 -0.125 1.00 0.00 C ATOM 356 C VAL A 31 7.321 6.686 -1.387 1.00 0.00 C ATOM 357 O VAL A 31 7.416 7.907 -1.525 1.00 0.00 O ATOM 358 CB VAL A 31 7.762 5.452 0.811 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.050 6.271 0.855 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.208 5.322 2.224 1.00 0.00 C ATOM 0 H VAL A 31 5.729 4.217 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 31 6.204 6.902 0.427 1.00 0.00 H new ATOM 0 HB VAL A 31 8.003 4.471 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.767 5.786 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.471 6.341 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.832 7.272 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.964 4.877 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.941 6.309 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.322 4.687 2.211 1.00 0.00 H new ATOM 370 N GLN A 32 7.684 5.824 -2.313 1.00 0.00 N ATOM 371 CA GLN A 32 8.335 6.209 -3.562 1.00 0.00 C ATOM 372 C GLN A 32 7.365 7.115 -4.356 1.00 0.00 C ATOM 373 O GLN A 32 7.747 8.145 -4.878 1.00 0.00 O ATOM 374 CB GLN A 32 8.645 4.912 -4.338 1.00 0.00 C ATOM 375 CG GLN A 32 9.684 4.974 -5.473 1.00 0.00 C ATOM 376 CD GLN A 32 9.351 5.874 -6.637 1.00 0.00 C ATOM 377 OE1 GLN A 32 8.699 5.447 -7.593 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.856 7.074 -6.616 1.00 0.00 N ATOM 0 H GLN A 32 7.536 4.819 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 32 9.260 6.759 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.982 4.166 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.710 4.546 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.634 5.300 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.835 3.964 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.389 7.389 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.718 7.699 -7.410 1.00 0.00 H new ATOM 387 N CYS A 33 6.104 6.722 -4.372 1.00 0.00 N ATOM 388 CA CYS A 33 5.044 7.465 -5.042 1.00 0.00 C ATOM 389 C CYS A 33 4.820 8.841 -4.421 1.00 0.00 C ATOM 390 O CYS A 33 4.507 9.785 -5.123 1.00 0.00 O ATOM 391 CB CYS A 33 3.751 6.663 -4.995 1.00 0.00 C ATOM 392 SG CYS A 33 3.809 5.105 -5.906 1.00 0.00 S ATOM 0 H CYS A 33 5.780 5.869 -3.916 1.00 0.00 H new ATOM 0 HA CYS A 33 5.354 7.620 -6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.505 6.453 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.943 7.275 -5.396 1.00 0.00 H new ATOM 0 HG CYS A 33 4.508 4.237 -5.237 1.00 0.00 H new ATOM 398 N LEU A 34 4.960 8.927 -3.112 1.00 0.00 N ATOM 399 CA LEU A 34 4.800 10.179 -2.376 1.00 0.00 C ATOM 400 C LEU A 34 6.038 11.065 -2.451 1.00 0.00 C ATOM 401 O LEU A 34 5.963 12.259 -2.166 1.00 0.00 O ATOM 402 CB LEU A 34 4.442 9.927 -0.924 1.00 0.00 C ATOM 403 CG LEU A 34 3.128 9.217 -0.657 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.924 9.075 0.829 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.970 9.967 -1.266 1.00 0.00 C ATOM 0 H LEU A 34 5.189 8.129 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 34 3.979 10.708 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.243 9.341 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.421 10.887 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 34 3.170 8.230 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.980 8.565 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.742 8.495 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.902 10.063 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.042 9.434 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.918 10.967 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.112 10.042 -2.344 1.00 0.00 H new ATOM 417 N ASN A 35 7.184 10.470 -2.758 1.00 0.00 N ATOM 418 CA ASN A 35 8.436 11.226 -3.002 1.00 0.00 C ATOM 419 C ASN A 35 8.285 12.536 -3.805 1.00 0.00 C ATOM 420 O ASN A 35 8.761 13.576 -3.358 1.00 0.00 O ATOM 421 CB ASN A 35 9.508 10.347 -3.596 1.00 0.00 C ATOM 422 CG ASN A 35 10.359 9.913 -2.502 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.466 10.405 -2.312 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.820 9.087 -1.698 1.00 0.00 N ATOM 0 H ASN A 35 7.286 9.459 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 35 8.743 11.550 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.066 9.490 -4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.086 10.894 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.312 8.806 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.896 8.706 -1.902 1.00 0.00 H new ATOM 431 N PRO A 36 7.606 12.537 -4.990 1.00 0.00 N ATOM 432 CA PRO A 36 7.393 13.772 -5.762 1.00 0.00 C ATOM 433 C PRO A 36 6.417 14.750 -5.078 1.00 0.00 C ATOM 434 O PRO A 36 6.324 15.920 -5.461 1.00 0.00 O ATOM 435 CB PRO A 36 6.814 13.282 -7.096 1.00 0.00 C ATOM 436 CG PRO A 36 6.221 11.956 -6.797 1.00 0.00 C ATOM 437 CD PRO A 36 7.057 11.357 -5.707 1.00 0.00 C ATOM 0 HA PRO A 36 8.321 14.334 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.062 13.973 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.590 13.204 -7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.183 12.057 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.223 11.320 -7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.461 10.729 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.851 10.730 -6.111 1.00 0.00 H new ATOM 445 N TYR A 37 5.711 14.278 -4.071 1.00 0.00 N ATOM 446 CA TYR A 37 4.739 15.099 -3.369 1.00 0.00 C ATOM 447 C TYR A 37 5.376 15.847 -2.231 1.00 0.00 C ATOM 448 O TYR A 37 4.893 16.882 -1.814 1.00 0.00 O ATOM 449 CB TYR A 37 3.560 14.265 -2.862 1.00 0.00 C ATOM 450 CG TYR A 37 2.715 13.666 -3.956 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.091 12.500 -4.579 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.537 14.271 -4.353 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.338 11.943 -5.577 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.757 13.739 -5.345 1.00 0.00 C ATOM 455 CZ TYR A 37 1.161 12.567 -5.969 1.00 0.00 C ATOM 456 OH TYR A 37 0.396 12.022 -6.981 1.00 0.00 O ATOM 0 H TYR A 37 5.791 13.325 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 37 4.357 15.825 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.941 13.462 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.929 14.892 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.004 12.011 -4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.225 15.185 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.656 11.028 -6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.161 14.226 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 37 0.926 11.978 -7.804 1.00 0.00 H new ATOM 466 N ARG A 38 6.474 15.339 -1.729 1.00 0.00 N ATOM 467 CA ARG A 38 7.146 16.004 -0.618 1.00 0.00 C ATOM 468 C ARG A 38 8.119 17.046 -1.119 1.00 0.00 C ATOM 469 O ARG A 38 8.759 17.756 -0.342 1.00 0.00 O ATOM 470 CB ARG A 38 7.852 15.018 0.281 1.00 0.00 C ATOM 471 CG ARG A 38 8.989 14.282 -0.375 1.00 0.00 C ATOM 472 CD ARG A 38 9.657 13.395 0.643 1.00 0.00 C ATOM 473 NE ARG A 38 10.809 12.637 0.142 1.00 0.00 N ATOM 474 CZ ARG A 38 11.412 11.644 0.834 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.003 11.341 2.070 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.423 10.978 0.301 1.00 0.00 N ATOM 0 H ARG A 38 6.922 14.484 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 38 6.375 16.501 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.234 15.549 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.126 14.291 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.619 13.685 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.708 14.991 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.983 14.011 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.919 12.692 1.031 1.00 0.00 H new ATOM 0 HE ARG A 38 11.176 12.872 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.234 11.859 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.460 10.591 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.751 11.213 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.875 10.230 0.827 1.00 0.00 H new ATOM 490 N LYS A 39 8.222 17.133 -2.412 1.00 0.00 N ATOM 491 CA LYS A 39 9.053 18.124 -3.057 1.00 0.00 C ATOM 492 C LYS A 39 8.396 19.484 -2.895 1.00 0.00 C ATOM 493 O LYS A 39 7.184 19.595 -3.021 1.00 0.00 O ATOM 494 CB LYS A 39 9.164 17.822 -4.558 1.00 0.00 C ATOM 495 CG LYS A 39 9.752 16.474 -4.874 1.00 0.00 C ATOM 496 CD LYS A 39 11.161 16.381 -4.379 1.00 0.00 C ATOM 497 CE LYS A 39 11.716 15.006 -4.592 1.00 0.00 C ATOM 498 NZ LYS A 39 13.108 14.915 -4.123 1.00 0.00 N ATOM 0 H LYS A 39 7.731 16.517 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 39 10.045 18.110 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.172 17.887 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.776 18.592 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.148 15.692 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.728 16.305 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.781 17.112 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.195 16.630 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.103 14.277 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.669 14.752 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.466 13.952 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.696 15.594 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.147 15.134 -3.107 1.00 0.00 H new ATOM 512 N PRO A 40 9.166 20.544 -2.650 1.00 0.00 N ATOM 513 CA PRO A 40 8.618 21.910 -2.544 1.00 0.00 C ATOM 514 C PRO A 40 8.085 22.421 -3.899 1.00 0.00 C ATOM 515 O PRO A 40 7.448 23.474 -3.991 1.00 0.00 O ATOM 516 CB PRO A 40 9.810 22.744 -2.075 1.00 0.00 C ATOM 517 CG PRO A 40 11.015 21.960 -2.483 1.00 0.00 C ATOM 518 CD PRO A 40 10.624 20.513 -2.415 1.00 0.00 C ATOM 0 HA PRO A 40 7.767 21.962 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.807 23.731 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.785 22.896 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.330 22.230 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.855 22.167 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.141 19.921 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.866 20.076 -1.446 1.00 0.00 H new ATOM 526 N ASP A 41 8.302 21.625 -4.920 1.00 0.00 N ATOM 527 CA ASP A 41 7.892 21.916 -6.283 1.00 0.00 C ATOM 528 C ASP A 41 6.564 21.215 -6.589 1.00 0.00 C ATOM 529 O ASP A 41 5.979 21.387 -7.653 1.00 0.00 O ATOM 530 CB ASP A 41 8.996 21.437 -7.243 1.00 0.00 C ATOM 531 CG ASP A 41 8.646 21.560 -8.707 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.752 22.665 -9.268 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.289 20.526 -9.337 1.00 0.00 O ATOM 0 H ASP A 41 8.782 20.730 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 41 7.745 22.989 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.903 22.010 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.225 20.394 -7.023 1.00 0.00 H new ATOM 538 N CYS A 42 6.090 20.446 -5.623 1.00 0.00 N ATOM 539 CA CYS A 42 4.871 19.680 -5.787 1.00 0.00 C ATOM 540 C CYS A 42 3.694 20.608 -6.035 1.00 0.00 C ATOM 541 O CYS A 42 3.515 21.613 -5.328 1.00 0.00 O ATOM 542 CB CYS A 42 4.613 18.783 -4.589 1.00 0.00 C ATOM 543 SG CYS A 42 3.177 17.716 -4.775 1.00 0.00 S ATOM 0 H CYS A 42 6.536 20.337 -4.712 1.00 0.00 H new ATOM 0 HA CYS A 42 4.993 19.034 -6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.493 18.164 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.480 19.405 -3.704 1.00 0.00 H new ATOM 0 HG CYS A 42 3.441 16.780 -5.638 1.00 0.00 H new ATOM 549 N LYS A 43 2.920 20.290 -7.043 1.00 0.00 N ATOM 550 CA LYS A 43 1.835 21.138 -7.463 1.00 0.00 C ATOM 551 C LYS A 43 0.567 20.798 -6.724 1.00 0.00 C ATOM 552 O LYS A 43 -0.262 21.676 -6.455 1.00 0.00 O ATOM 553 CB LYS A 43 1.573 21.029 -8.984 1.00 0.00 C ATOM 554 CG LYS A 43 2.711 21.481 -9.915 1.00 0.00 C ATOM 555 CD LYS A 43 3.899 20.524 -9.929 1.00 0.00 C ATOM 556 CE LYS A 43 4.957 20.975 -10.921 1.00 0.00 C ATOM 557 NZ LYS A 43 6.131 20.077 -10.938 1.00 0.00 N ATOM 0 H LYS A 43 3.025 19.438 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 43 2.132 22.161 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.337 19.990 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.686 21.618 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.323 21.581 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.053 22.469 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.334 20.466 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.558 19.521 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.521 21.018 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.279 21.986 -10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.577 20.106 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.816 20.388 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.827 19.105 -10.729 1.00 0.00 H new ATOM 571 N VAL A 44 0.418 19.545 -6.387 1.00 0.00 N ATOM 572 CA VAL A 44 -0.785 19.070 -5.769 1.00 0.00 C ATOM 573 C VAL A 44 -0.471 18.071 -4.668 1.00 0.00 C ATOM 574 O VAL A 44 0.211 17.081 -4.892 1.00 0.00 O ATOM 575 CB VAL A 44 -1.756 18.460 -6.829 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.131 17.302 -7.586 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.082 18.064 -6.212 1.00 0.00 C ATOM 0 H VAL A 44 1.128 18.827 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.289 19.921 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.953 19.246 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.846 16.913 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.238 17.647 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.860 16.513 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.730 17.644 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.913 17.320 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.558 18.943 -5.777 1.00 0.00 H new ATOM 587 N GLY A 45 -0.964 18.354 -3.490 1.00 0.00 N ATOM 588 CA GLY A 45 -0.734 17.504 -2.361 1.00 0.00 C ATOM 589 C GLY A 45 0.718 17.558 -1.912 1.00 0.00 C ATOM 590 O GLY A 45 1.360 16.531 -1.770 1.00 0.00 O ATOM 0 H GLY A 45 -1.533 19.177 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.382 17.806 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.000 16.478 -2.616 1.00 0.00 H new ATOM 594 N ARG A 46 1.266 18.751 -1.719 1.00 0.00 N ATOM 595 CA ARG A 46 2.631 18.852 -1.257 1.00 0.00 C ATOM 596 C ARG A 46 2.725 18.468 0.209 1.00 0.00 C ATOM 597 O ARG A 46 2.095 19.094 1.068 1.00 0.00 O ATOM 598 CB ARG A 46 3.200 20.253 -1.455 1.00 0.00 C ATOM 599 CG ARG A 46 4.647 20.345 -1.013 1.00 0.00 C ATOM 600 CD ARG A 46 5.229 21.728 -1.188 1.00 0.00 C ATOM 601 NE ARG A 46 4.533 22.743 -0.405 1.00 0.00 N ATOM 602 CZ ARG A 46 4.787 23.040 0.889 1.00 0.00 C ATOM 603 NH1 ARG A 46 5.745 22.389 1.562 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.080 23.991 1.498 1.00 0.00 N ATOM 0 H ARG A 46 0.793 19.641 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 46 3.223 18.160 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.124 20.530 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.602 20.970 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.720 20.056 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.242 19.631 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.280 21.713 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.191 22.001 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 46 3.795 23.271 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.290 21.662 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.929 22.620 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.352 24.491 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.267 24.219 2.474 1.00 0.00 H new ATOM 618 N ILE A 47 3.496 17.456 0.487 1.00 0.00 N ATOM 619 CA ILE A 47 3.677 16.986 1.830 1.00 0.00 C ATOM 620 C ILE A 47 4.521 17.962 2.632 1.00 0.00 C ATOM 621 O ILE A 47 5.658 18.280 2.270 1.00 0.00 O ATOM 622 CB ILE A 47 4.255 15.549 1.878 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.349 14.620 1.048 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.362 15.082 3.315 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.823 13.195 0.935 1.00 0.00 C ATOM 0 H ILE A 47 4.019 16.932 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 47 2.692 16.933 2.293 1.00 0.00 H new ATOM 0 HB ILE A 47 5.258 15.531 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.353 14.621 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.253 15.035 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.769 14.071 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.021 15.752 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.373 15.086 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.117 12.624 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.805 13.175 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.891 12.754 1.930 1.00 0.00 H new ATOM 637 N THR A 48 3.915 18.449 3.680 1.00 0.00 N ATOM 638 CA THR A 48 4.467 19.424 4.589 1.00 0.00 C ATOM 639 C THR A 48 5.754 18.958 5.258 1.00 0.00 C ATOM 640 O THR A 48 6.789 19.633 5.188 1.00 0.00 O ATOM 641 CB THR A 48 3.410 19.706 5.661 1.00 0.00 C ATOM 642 OG1 THR A 48 2.952 18.457 6.192 1.00 0.00 O ATOM 643 CG2 THR A 48 2.240 20.378 5.051 1.00 0.00 C ATOM 0 H THR A 48 2.971 18.162 3.939 1.00 0.00 H new ATOM 0 HA THR A 48 4.722 20.317 4.019 1.00 0.00 H new ATOM 0 HB THR A 48 3.849 20.335 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.275 18.623 6.881 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.492 20.575 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.555 21.319 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.810 19.735 4.283 1.00 0.00 H new ATOM 651 N THR A 49 5.693 17.808 5.877 1.00 0.00 N ATOM 652 CA THR A 49 6.802 17.315 6.619 1.00 0.00 C ATOM 653 C THR A 49 6.911 15.821 6.524 1.00 0.00 C ATOM 654 O THR A 49 5.964 15.143 6.141 1.00 0.00 O ATOM 655 CB THR A 49 6.762 17.782 8.099 1.00 0.00 C ATOM 656 OG1 THR A 49 5.497 18.433 8.405 1.00 0.00 O ATOM 657 CG2 THR A 49 7.913 18.728 8.387 1.00 0.00 C ATOM 0 H THR A 49 4.876 17.198 5.876 1.00 0.00 H new ATOM 0 HA THR A 49 7.698 17.741 6.168 1.00 0.00 H new ATOM 0 HB THR A 49 6.859 16.900 8.733 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.794 17.756 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.871 19.046 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.858 18.218 8.202 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.838 19.600 7.738 1.00 0.00 H new ATOM 665 N THR A 50 8.053 15.328 6.869 1.00 0.00 N ATOM 666 CA THR A 50 8.377 13.947 6.804 1.00 0.00 C ATOM 667 C THR A 50 7.470 13.081 7.671 1.00 0.00 C ATOM 668 O THR A 50 7.107 11.983 7.277 1.00 0.00 O ATOM 669 CB THR A 50 9.860 13.774 7.193 1.00 0.00 C ATOM 670 OG1 THR A 50 10.324 12.453 6.912 1.00 0.00 O ATOM 671 CG2 THR A 50 10.132 14.144 8.628 1.00 0.00 C ATOM 0 H THR A 50 8.818 15.904 7.219 1.00 0.00 H new ATOM 0 HA THR A 50 8.214 13.602 5.783 1.00 0.00 H new ATOM 0 HB THR A 50 10.421 14.473 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.267 12.376 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.191 14.003 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.864 15.188 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.538 13.509 9.286 1.00 0.00 H new ATOM 679 N GLU A 51 7.091 13.584 8.842 1.00 0.00 N ATOM 680 CA GLU A 51 6.175 12.870 9.724 1.00 0.00 C ATOM 681 C GLU A 51 4.845 12.707 9.017 1.00 0.00 C ATOM 682 O GLU A 51 4.203 11.671 9.120 1.00 0.00 O ATOM 683 CB GLU A 51 5.918 13.605 11.042 1.00 0.00 C ATOM 684 CG GLU A 51 7.106 14.270 11.703 1.00 0.00 C ATOM 685 CD GLU A 51 7.345 15.644 11.131 1.00 0.00 C ATOM 686 OE1 GLU A 51 8.055 15.766 10.137 1.00 0.00 O ATOM 687 OE2 GLU A 51 6.789 16.625 11.664 1.00 0.00 O ATOM 0 H GLU A 51 7.405 14.485 9.202 1.00 0.00 H new ATOM 0 HA GLU A 51 6.639 11.912 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.160 14.368 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.492 12.893 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.934 14.344 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.995 13.655 11.564 1.00 0.00 H new ATOM 694 N ASP A 52 4.465 13.719 8.269 1.00 0.00 N ATOM 695 CA ASP A 52 3.214 13.726 7.527 1.00 0.00 C ATOM 696 C ASP A 52 3.303 12.784 6.382 1.00 0.00 C ATOM 697 O ASP A 52 2.361 12.051 6.088 1.00 0.00 O ATOM 698 CB ASP A 52 2.934 15.121 7.000 1.00 0.00 C ATOM 699 CG ASP A 52 2.573 16.102 8.075 1.00 0.00 C ATOM 700 OD1 ASP A 52 3.497 16.751 8.636 1.00 0.00 O ATOM 701 OD2 ASP A 52 1.366 16.269 8.382 1.00 0.00 O ATOM 0 H ASP A 52 5.017 14.569 8.155 1.00 0.00 H new ATOM 0 HA ASP A 52 2.408 13.419 8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.813 15.484 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.121 15.071 6.276 1.00 0.00 H new ATOM 706 N PHE A 53 4.452 12.793 5.756 1.00 0.00 N ATOM 707 CA PHE A 53 4.792 11.894 4.685 1.00 0.00 C ATOM 708 C PHE A 53 4.633 10.436 5.184 1.00 0.00 C ATOM 709 O PHE A 53 3.976 9.620 4.553 1.00 0.00 O ATOM 710 CB PHE A 53 6.243 12.166 4.238 1.00 0.00 C ATOM 711 CG PHE A 53 6.781 11.247 3.191 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.336 10.033 3.541 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.742 11.598 1.866 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.831 9.192 2.593 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.242 10.762 0.904 1.00 0.00 C ATOM 716 CZ PHE A 53 7.785 9.557 1.262 1.00 0.00 C ATOM 0 H PHE A 53 5.200 13.447 5.986 1.00 0.00 H new ATOM 0 HA PHE A 53 4.131 12.048 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.303 13.188 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.890 12.108 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.378 9.747 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.312 12.546 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.258 8.243 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.208 11.052 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.176 8.894 0.505 1.00 0.00 H new ATOM 726 N LYS A 54 5.217 10.160 6.336 1.00 0.00 N ATOM 727 CA LYS A 54 5.169 8.846 6.960 1.00 0.00 C ATOM 728 C LYS A 54 3.758 8.463 7.364 1.00 0.00 C ATOM 729 O LYS A 54 3.339 7.318 7.170 1.00 0.00 O ATOM 730 CB LYS A 54 6.105 8.819 8.177 1.00 0.00 C ATOM 731 CG LYS A 54 7.575 8.933 7.780 1.00 0.00 C ATOM 732 CD LYS A 54 8.553 9.042 8.960 1.00 0.00 C ATOM 733 CE LYS A 54 8.667 7.769 9.813 1.00 0.00 C ATOM 734 NZ LYS A 54 7.501 7.528 10.691 1.00 0.00 N ATOM 0 H LYS A 54 5.745 10.849 6.872 1.00 0.00 H new ATOM 0 HA LYS A 54 5.503 8.111 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.848 9.638 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.951 7.893 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.844 8.062 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.698 9.808 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.541 9.296 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.239 9.866 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.795 6.911 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.565 7.835 10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.831 7.242 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.940 8.400 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.912 6.772 10.286 1.00 0.00 H new ATOM 748 N HIS A 55 3.013 9.436 7.865 1.00 0.00 N ATOM 749 CA HIS A 55 1.624 9.246 8.287 1.00 0.00 C ATOM 750 C HIS A 55 0.792 8.868 7.093 1.00 0.00 C ATOM 751 O HIS A 55 0.044 7.886 7.121 1.00 0.00 O ATOM 752 CB HIS A 55 1.078 10.547 8.914 1.00 0.00 C ATOM 753 CG HIS A 55 -0.403 10.543 9.270 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.891 10.117 10.478 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.493 10.944 8.554 1.00 0.00 C ATOM 756 CE1 HIS A 55 -2.197 10.243 10.511 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.598 10.749 9.353 1.00 0.00 N ATOM 0 H HIS A 55 3.353 10.389 7.993 1.00 0.00 H new ATOM 0 HA HIS A 55 1.578 8.452 9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.649 10.759 9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.263 11.367 8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.490 11.340 7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.836 9.979 11.340 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.563 10.959 9.097 1.00 0.00 H new ATOM 765 N LEU A 56 0.924 9.635 6.059 1.00 0.00 N ATOM 766 CA LEU A 56 0.173 9.404 4.883 1.00 0.00 C ATOM 767 C LEU A 56 0.577 8.104 4.230 1.00 0.00 C ATOM 768 O LEU A 56 -0.288 7.286 3.942 1.00 0.00 O ATOM 769 CB LEU A 56 0.297 10.546 3.884 1.00 0.00 C ATOM 770 CG LEU A 56 -1.002 11.127 3.318 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.784 11.721 1.938 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.184 10.160 3.377 1.00 0.00 C ATOM 0 H LEU A 56 1.555 10.435 6.013 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.872 9.342 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.848 11.355 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.904 10.199 3.048 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.290 11.945 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.724 12.125 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.044 12.519 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.427 10.946 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.069 10.641 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.951 9.265 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.377 9.884 4.414 1.00 0.00 H new ATOM 784 N ALA A 57 1.888 7.878 4.052 1.00 0.00 N ATOM 785 CA ALA A 57 2.373 6.662 3.402 1.00 0.00 C ATOM 786 C ALA A 57 1.831 5.433 4.098 1.00 0.00 C ATOM 787 O ALA A 57 1.316 4.500 3.446 1.00 0.00 O ATOM 788 CB ALA A 57 3.890 6.615 3.340 1.00 0.00 C ATOM 0 H ALA A 57 2.623 8.520 4.349 1.00 0.00 H new ATOM 0 HA ALA A 57 2.006 6.676 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.206 5.694 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.258 7.472 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.297 6.645 4.351 1.00 0.00 H new ATOM 794 N ARG A 58 1.850 5.471 5.415 1.00 0.00 N ATOM 795 CA ARG A 58 1.408 4.320 6.187 1.00 0.00 C ATOM 796 C ARG A 58 -0.105 4.139 6.076 1.00 0.00 C ATOM 797 O ARG A 58 -0.596 3.018 5.895 1.00 0.00 O ATOM 798 CB ARG A 58 1.875 4.371 7.662 1.00 0.00 C ATOM 799 CG ARG A 58 1.177 5.396 8.538 1.00 0.00 C ATOM 800 CD ARG A 58 1.791 5.452 9.918 1.00 0.00 C ATOM 801 NE ARG A 58 1.716 4.167 10.626 1.00 0.00 N ATOM 802 CZ ARG A 58 2.181 3.947 11.861 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.694 4.950 12.574 1.00 0.00 N ATOM 804 NH2 ARG A 58 2.110 2.733 12.383 1.00 0.00 N ATOM 0 H ARG A 58 2.160 6.270 5.968 1.00 0.00 H new ATOM 0 HA ARG A 58 1.887 3.442 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.732 3.385 8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.946 4.575 7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.239 6.379 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.119 5.147 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.835 5.755 9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.283 6.216 10.506 1.00 0.00 H new ATOM 0 HE ARG A 58 1.277 3.385 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.733 5.889 12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.047 4.778 13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.702 1.969 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.463 2.561 13.324 1.00 0.00 H new ATOM 818 N LYS A 59 -0.834 5.253 6.106 1.00 0.00 N ATOM 819 CA LYS A 59 -2.281 5.229 6.045 1.00 0.00 C ATOM 820 C LYS A 59 -2.761 4.729 4.684 1.00 0.00 C ATOM 821 O LYS A 59 -3.701 3.942 4.594 1.00 0.00 O ATOM 822 CB LYS A 59 -2.849 6.622 6.343 1.00 0.00 C ATOM 823 CG LYS A 59 -4.363 6.676 6.378 1.00 0.00 C ATOM 824 CD LYS A 59 -4.863 8.026 6.851 1.00 0.00 C ATOM 825 CE LYS A 59 -6.371 8.021 7.002 1.00 0.00 C ATOM 826 NZ LYS A 59 -7.079 7.928 5.707 1.00 0.00 N ATOM 0 H LYS A 59 -0.434 6.189 6.173 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.645 4.536 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.461 6.963 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.488 7.320 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.758 6.469 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.740 5.896 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.399 8.277 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.567 8.797 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.665 7.182 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.683 8.930 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.096 7.792 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.932 8.805 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.708 7.121 5.165 1.00 0.00 H new ATOM 840 N LEU A 60 -2.100 5.174 3.637 1.00 0.00 N ATOM 841 CA LEU A 60 -2.445 4.780 2.274 1.00 0.00 C ATOM 842 C LEU A 60 -2.178 3.317 2.071 1.00 0.00 C ATOM 843 O LEU A 60 -2.988 2.609 1.461 1.00 0.00 O ATOM 844 CB LEU A 60 -1.671 5.637 1.301 1.00 0.00 C ATOM 845 CG LEU A 60 -1.985 7.103 1.470 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.911 7.996 0.873 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.348 7.416 0.901 1.00 0.00 C ATOM 0 H LEU A 60 -1.310 5.817 3.698 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.509 4.938 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.603 5.476 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.905 5.331 0.281 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.000 7.317 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.183 9.041 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.042 7.797 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.820 7.792 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.561 8.477 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.365 7.169 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.104 6.828 1.422 1.00 0.00 H new ATOM 859 N THR A 61 -1.047 2.857 2.624 1.00 0.00 N ATOM 860 CA THR A 61 -0.707 1.447 2.597 1.00 0.00 C ATOM 861 C THR A 61 -1.817 0.675 3.253 1.00 0.00 C ATOM 862 O THR A 61 -2.311 -0.322 2.729 1.00 0.00 O ATOM 863 CB THR A 61 0.605 1.167 3.389 1.00 0.00 C ATOM 864 OG1 THR A 61 1.691 1.940 2.862 1.00 0.00 O ATOM 865 CG2 THR A 61 0.973 -0.315 3.330 1.00 0.00 C ATOM 0 H THR A 61 -0.360 3.448 3.092 1.00 0.00 H new ATOM 0 HA THR A 61 -0.566 1.147 1.559 1.00 0.00 H new ATOM 0 HB THR A 61 0.428 1.451 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.553 2.886 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.892 -0.484 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.168 -0.907 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.121 -0.612 2.292 1.00 0.00 H new ATOM 873 N HIS A 62 -2.266 1.212 4.356 1.00 0.00 N ATOM 874 CA HIS A 62 -3.247 0.549 5.175 1.00 0.00 C ATOM 875 C HIS A 62 -4.629 0.536 4.499 1.00 0.00 C ATOM 876 O HIS A 62 -5.393 -0.432 4.659 1.00 0.00 O ATOM 877 CB HIS A 62 -3.275 1.164 6.588 1.00 0.00 C ATOM 878 CG HIS A 62 -4.205 0.517 7.580 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.821 -0.511 8.412 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.491 0.791 7.901 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.813 -0.839 9.199 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.844 -0.067 8.911 1.00 0.00 N ATOM 0 H HIS A 62 -1.964 2.119 4.712 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.958 -0.496 5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.264 1.131 6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.549 2.215 6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.120 1.543 7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.792 -1.610 9.955 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.756 -0.103 9.366 1.00 0.00 H new ATOM 890 N GLY A 63 -4.930 1.566 3.733 1.00 0.00 N ATOM 891 CA GLY A 63 -6.214 1.639 3.063 1.00 0.00 C ATOM 892 C GLY A 63 -6.287 0.742 1.847 1.00 0.00 C ATOM 893 O GLY A 63 -7.322 0.122 1.612 1.00 0.00 O ATOM 0 H GLY A 63 -4.310 2.357 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.001 1.360 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.405 2.669 2.762 1.00 0.00 H new ATOM 897 N VAL A 64 -5.177 0.633 1.095 1.00 0.00 N ATOM 898 CA VAL A 64 -5.125 -0.268 -0.081 1.00 0.00 C ATOM 899 C VAL A 64 -5.235 -1.691 0.418 1.00 0.00 C ATOM 900 O VAL A 64 -6.027 -2.489 -0.089 1.00 0.00 O ATOM 901 CB VAL A 64 -3.792 -0.111 -0.897 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.657 -1.194 -1.989 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.718 1.271 -1.528 1.00 0.00 C ATOM 0 H VAL A 64 -4.314 1.147 1.273 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.946 -0.009 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.965 -0.235 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.722 -1.050 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.660 -2.180 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.494 -1.117 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.789 1.365 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.565 1.410 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.747 2.030 -0.746 1.00 0.00 H new ATOM 913 N MET A 65 -4.510 -1.925 1.493 1.00 0.00 N ATOM 914 CA MET A 65 -4.423 -3.210 2.165 1.00 0.00 C ATOM 915 C MET A 65 -5.795 -3.661 2.602 1.00 0.00 C ATOM 916 O MET A 65 -6.242 -4.740 2.259 1.00 0.00 O ATOM 917 CB MET A 65 -3.489 -3.085 3.366 1.00 0.00 C ATOM 918 CG MET A 65 -3.459 -4.253 4.310 1.00 0.00 C ATOM 919 SD MET A 65 -2.288 -3.952 5.638 1.00 0.00 S ATOM 920 CE MET A 65 -2.801 -5.201 6.777 1.00 0.00 C ATOM 0 H MET A 65 -3.945 -1.203 1.940 1.00 0.00 H new ATOM 0 HA MET A 65 -4.023 -3.957 1.479 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.477 -2.918 2.997 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.774 -2.197 3.930 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.453 -4.420 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.182 -5.158 3.770 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.176 -5.159 7.669 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.842 -5.034 7.055 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.702 -6.181 6.311 1.00 0.00 H new ATOM 930 N ASN A 66 -6.465 -2.809 3.318 1.00 0.00 N ATOM 931 CA ASN A 66 -7.781 -3.100 3.815 1.00 0.00 C ATOM 932 C ASN A 66 -8.794 -3.226 2.726 1.00 0.00 C ATOM 933 O ASN A 66 -9.626 -4.123 2.769 1.00 0.00 O ATOM 934 CB ASN A 66 -8.204 -2.093 4.846 1.00 0.00 C ATOM 935 CG ASN A 66 -7.909 -2.568 6.227 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.733 -3.238 6.862 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.741 -2.249 6.707 1.00 0.00 N ATOM 0 H ASN A 66 -6.114 -1.887 3.577 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.726 -4.076 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.689 -1.149 4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.272 -1.897 4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.474 -2.554 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.094 -1.695 6.147 1.00 0.00 H new ATOM 944 N LYS A 67 -8.701 -2.377 1.726 1.00 0.00 N ATOM 945 CA LYS A 67 -9.639 -2.405 0.629 1.00 0.00 C ATOM 946 C LYS A 67 -9.552 -3.751 -0.072 1.00 0.00 C ATOM 947 O LYS A 67 -10.577 -4.417 -0.301 1.00 0.00 O ATOM 948 CB LYS A 67 -9.375 -1.249 -0.337 1.00 0.00 C ATOM 949 CG LYS A 67 -10.427 -1.050 -1.418 1.00 0.00 C ATOM 950 CD LYS A 67 -10.072 0.144 -2.290 1.00 0.00 C ATOM 951 CE LYS A 67 -11.157 0.463 -3.311 1.00 0.00 C ATOM 952 NZ LYS A 67 -12.444 0.827 -2.673 1.00 0.00 N ATOM 0 H LYS A 67 -7.982 -1.657 1.651 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.652 -2.278 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.292 -0.328 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.411 -1.412 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.501 -1.948 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.404 -0.896 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.906 1.016 -1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.135 -0.056 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.824 1.284 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.307 -0.400 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.945 1.516 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.030 -0.025 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.262 1.246 -1.739 1.00 0.00 H new ATOM 966 N GLU A 68 -8.345 -4.218 -0.316 1.00 0.00 N ATOM 967 CA GLU A 68 -8.221 -5.453 -0.953 1.00 0.00 C ATOM 968 C GLU A 68 -8.540 -6.585 -0.036 1.00 0.00 C ATOM 969 O GLU A 68 -9.147 -7.507 -0.449 1.00 0.00 O ATOM 970 CB GLU A 68 -6.955 -5.600 -1.731 1.00 0.00 C ATOM 971 CG GLU A 68 -5.654 -5.434 -0.999 1.00 0.00 C ATOM 972 CD GLU A 68 -4.535 -5.470 -1.992 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.387 -4.476 -2.743 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.869 -6.521 -2.124 1.00 0.00 O ATOM 0 H GLU A 68 -7.470 -3.751 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.987 -5.492 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.957 -6.590 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.976 -4.874 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.645 -4.490 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.531 -6.228 -0.263 1.00 0.00 H new ATOM 981 N LEU A 69 -8.205 -6.481 1.232 1.00 0.00 N ATOM 982 CA LEU A 69 -8.666 -7.474 2.218 1.00 0.00 C ATOM 983 C LEU A 69 -10.188 -7.629 2.178 1.00 0.00 C ATOM 984 O LEU A 69 -10.709 -8.736 2.354 1.00 0.00 O ATOM 985 CB LEU A 69 -8.225 -7.093 3.637 1.00 0.00 C ATOM 986 CG LEU A 69 -6.969 -7.759 4.198 1.00 0.00 C ATOM 987 CD1 LEU A 69 -7.240 -9.214 4.542 1.00 0.00 C ATOM 988 CD2 LEU A 69 -5.832 -7.683 3.224 1.00 0.00 C ATOM 0 H LEU A 69 -7.624 -5.735 1.615 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.209 -8.427 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.071 -6.014 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.051 -7.312 4.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.692 -7.219 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.333 -9.669 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.032 -9.270 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.550 -9.748 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.953 -8.165 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.110 -8.190 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.605 -6.638 3.011 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.895 -6.547 1.885 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.352 -6.582 1.820 1.00 0.00 C ATOM 1002 C LYS A 70 -12.839 -7.233 0.566 1.00 0.00 C ATOM 1003 O LYS A 70 -13.865 -7.916 0.562 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.935 -5.193 1.886 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.571 -4.453 3.119 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.168 -3.058 3.115 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.685 -3.071 3.277 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.117 -3.584 4.605 1.00 0.00 N ATOM 0 H LYS A 70 -10.485 -5.634 1.688 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.680 -7.166 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.598 -4.625 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.021 -5.261 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.924 -5.000 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.486 -4.387 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.725 -2.474 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.910 -2.559 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.069 -2.060 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.125 -3.688 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.129 -3.385 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.957 -4.611 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.568 -3.116 5.354 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.155 -6.973 -0.494 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.542 -7.505 -1.805 1.00 0.00 C ATOM 1024 C TYR A 71 -12.000 -8.917 -2.015 1.00 0.00 C ATOM 1025 O TYR A 71 -12.662 -9.776 -2.585 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.050 -6.576 -2.935 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.652 -5.165 -2.950 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.096 -4.542 -1.785 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.735 -4.448 -4.131 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -13.590 -3.285 -1.784 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.244 -3.167 -4.141 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.668 -2.591 -2.961 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.156 -1.314 -2.963 1.00 0.00 O ATOM 0 H TYR A 71 -11.315 -6.394 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.631 -7.551 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.966 -6.487 -2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.266 -7.053 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.043 -5.083 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.398 -4.897 -5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.921 -2.831 -0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.311 -2.617 -5.068 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.144 -0.961 -3.877 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.838 -9.151 -1.502 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.132 -10.405 -1.688 1.00 0.00 C ATOM 1045 C CYS A 72 -10.642 -11.445 -0.746 1.00 0.00 C ATOM 1046 O CYS A 72 -10.895 -12.579 -1.161 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.625 -10.213 -1.500 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.860 -9.153 -2.740 1.00 0.00 S ATOM 0 H CYS A 72 -10.332 -8.475 -0.930 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.313 -10.744 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.444 -9.789 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.139 -11.189 -1.522 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.458 -9.877 -3.742 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.767 -11.070 0.541 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.289 -11.941 1.605 1.00 0.00 C ATOM 1056 C LYS A 73 -10.283 -13.023 2.023 1.00 0.00 C ATOM 1057 O LYS A 73 -10.185 -13.384 3.209 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.660 -12.480 1.207 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.673 -11.348 1.078 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.727 -11.625 0.036 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.749 -10.496 -0.008 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.789 -10.711 -1.032 1.00 0.00 N ATOM 0 H LYS A 73 -10.504 -10.142 0.873 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.431 -11.349 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.584 -13.015 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.003 -13.198 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.155 -11.186 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.150 -10.426 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.259 -11.737 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.228 -12.567 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.221 -10.400 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.237 -9.555 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.458 -9.915 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.345 -10.775 -1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.299 -11.595 -0.829 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.536 -13.502 1.072 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.450 -14.400 1.312 1.00 0.00 C ATOM 1078 C ASN A 74 -7.158 -13.646 0.988 1.00 0.00 C ATOM 1079 O ASN A 74 -7.008 -13.085 -0.095 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.577 -15.697 0.461 1.00 0.00 C ATOM 1081 CG ASN A 74 -8.445 -15.479 -1.047 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -7.354 -15.565 -1.604 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.542 -15.197 -1.706 1.00 0.00 N ATOM 0 H ASN A 74 -9.670 -13.273 0.087 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.453 -14.723 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.812 -16.404 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.543 -16.158 0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.506 -15.041 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.432 -15.133 -1.212 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.248 -13.518 1.945 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.971 -12.841 1.722 1.00 0.00 C ATOM 1092 C PRO A 75 -3.967 -13.607 0.896 1.00 0.00 C ATOM 1093 O PRO A 75 -2.824 -13.198 0.748 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.409 -12.622 3.050 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.130 -13.552 3.996 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.401 -13.981 3.332 1.00 0.00 C ATOM 0 HA PRO A 75 -5.167 -11.933 1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.338 -12.824 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.539 -11.584 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.509 -14.417 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.342 -13.049 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.532 -15.062 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.272 -13.533 3.809 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.391 -14.695 0.364 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.616 -15.471 -0.574 1.00 0.00 C ATOM 1106 C GLU A 76 -3.556 -14.670 -1.882 1.00 0.00 C ATOM 1107 O GLU A 76 -2.732 -14.899 -2.768 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.305 -16.815 -0.804 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.570 -17.764 -1.728 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.446 -18.903 -2.152 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.275 -18.711 -3.064 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.350 -20.002 -1.584 1.00 0.00 O ATOM 0 H GLU A 76 -5.308 -15.093 0.565 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.610 -15.662 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.443 -17.305 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.299 -16.631 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.224 -17.222 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.685 -18.152 -1.224 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.413 -13.684 -1.924 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.590 -12.820 -3.064 1.00 0.00 C ATOM 1121 C ASP A 77 -4.036 -11.439 -2.710 1.00 0.00 C ATOM 1122 O ASP A 77 -4.119 -10.487 -3.483 1.00 0.00 O ATOM 1123 CB ASP A 77 -6.095 -12.744 -3.390 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.409 -12.086 -4.718 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.960 -12.588 -5.765 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -7.123 -11.069 -4.746 1.00 0.00 O ATOM 0 H ASP A 77 -5.026 -13.452 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.061 -13.200 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.507 -13.753 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.600 -12.194 -2.596 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.446 -11.354 -1.532 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.883 -10.162 -1.023 1.00 0.00 C ATOM 1133 C LEU A 78 -1.388 -10.174 -1.296 1.00 0.00 C ATOM 1134 O LEU A 78 -0.611 -10.887 -0.635 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.127 -10.129 0.454 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.597 -8.952 1.190 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.365 -7.696 0.850 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.563 -9.208 2.670 1.00 0.00 C ATOM 0 H LEU A 78 -3.354 -12.149 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.329 -9.286 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.203 -10.180 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.693 -11.028 0.891 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.568 -8.792 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.951 -6.855 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.285 -7.499 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.413 -7.827 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.171 -8.329 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.572 -9.416 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.922 -10.065 2.876 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.016 -9.459 -2.285 1.00 0.00 N ATOM 1151 CA GLU A 79 0.318 -9.346 -2.733 1.00 0.00 C ATOM 1152 C GLU A 79 0.494 -7.946 -3.234 1.00 0.00 C ATOM 1153 O GLU A 79 -0.428 -7.396 -3.805 1.00 0.00 O ATOM 1154 CB GLU A 79 0.470 -10.276 -3.900 1.00 0.00 C ATOM 1155 CG GLU A 79 1.812 -10.282 -4.534 1.00 0.00 C ATOM 1156 CD GLU A 79 2.885 -10.766 -3.597 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.408 -9.954 -2.814 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.204 -11.968 -3.603 1.00 0.00 O ATOM 0 H GLU A 79 -1.671 -8.904 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 79 1.036 -9.578 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.238 -11.288 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.270 -10.009 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.791 -10.919 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.056 -9.275 -4.873 1.00 0.00 H new ATOM 1165 N CYS A 80 1.663 -7.384 -3.078 1.00 0.00 N ATOM 1166 CA CYS A 80 1.922 -6.075 -3.615 1.00 0.00 C ATOM 1167 C CYS A 80 2.327 -6.274 -5.036 1.00 0.00 C ATOM 1168 O CYS A 80 3.506 -6.241 -5.397 1.00 0.00 O ATOM 1169 CB CYS A 80 2.997 -5.297 -2.822 1.00 0.00 C ATOM 1170 SG CYS A 80 3.391 -3.652 -3.476 1.00 0.00 S ATOM 0 H CYS A 80 2.448 -7.810 -2.586 1.00 0.00 H new ATOM 0 HA CYS A 80 1.026 -5.460 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.660 -5.190 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.911 -5.891 -2.799 1.00 0.00 H new ATOM 0 HG CYS A 80 3.694 -3.747 -4.737 1.00 0.00 H new ATOM 1176 N ASN A 81 1.369 -6.592 -5.831 1.00 0.00 N ATOM 1177 CA ASN A 81 1.659 -6.910 -7.191 1.00 0.00 C ATOM 1178 C ASN A 81 1.332 -5.729 -8.041 1.00 0.00 C ATOM 1179 O ASN A 81 0.903 -4.721 -7.547 1.00 0.00 O ATOM 1180 CB ASN A 81 0.874 -8.103 -7.688 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.614 -7.776 -7.779 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.064 -7.226 -8.688 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.331 -8.080 -6.844 1.00 0.00 N ATOM 0 H ASN A 81 0.384 -6.640 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 81 2.717 -7.164 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.245 -8.405 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.024 -8.948 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.324 -7.849 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.939 -8.566 -6.038 1.00 0.00 H new ATOM 1190 N GLU A 82 1.510 -5.911 -9.292 1.00 0.00 N ATOM 1191 CA GLU A 82 1.231 -4.964 -10.352 1.00 0.00 C ATOM 1192 C GLU A 82 -0.155 -4.348 -10.280 1.00 0.00 C ATOM 1193 O GLU A 82 -0.290 -3.139 -10.280 1.00 0.00 O ATOM 1194 CB GLU A 82 1.392 -5.696 -11.623 1.00 0.00 C ATOM 1195 CG GLU A 82 2.835 -5.768 -12.107 1.00 0.00 C ATOM 1196 CD GLU A 82 3.796 -6.297 -11.069 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.595 -7.420 -10.569 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.742 -5.577 -10.698 1.00 0.00 O ATOM 0 H GLU A 82 1.884 -6.789 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 82 1.920 -4.125 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.008 -6.709 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.784 -5.215 -12.389 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.882 -6.404 -12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.157 -4.773 -12.414 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.153 -5.201 -10.220 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.556 -4.830 -10.065 1.00 0.00 C ATOM 1207 C ASN A 83 -2.674 -3.932 -8.873 1.00 0.00 C ATOM 1208 O ASN A 83 -3.218 -2.807 -8.963 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.417 -6.092 -9.792 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.897 -5.775 -9.625 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.411 -4.829 -10.214 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.580 -6.539 -8.817 1.00 0.00 N ATOM 0 H ASN A 83 -1.013 -6.210 -10.279 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.900 -4.339 -10.975 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.292 -6.796 -10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.053 -6.586 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.571 -6.358 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.122 -7.318 -8.343 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.110 -4.402 -7.754 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.164 -3.631 -6.533 1.00 0.00 C ATOM 1221 C VAL A 84 -1.438 -2.295 -6.694 1.00 0.00 C ATOM 1222 O VAL A 84 -2.005 -1.237 -6.393 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.622 -4.430 -5.347 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.547 -3.593 -4.098 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.501 -5.611 -5.104 1.00 0.00 C ATOM 0 H VAL A 84 -1.623 -5.295 -7.680 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.210 -3.411 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.611 -4.755 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.157 -4.197 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.886 -2.743 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.543 -3.232 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.117 -6.183 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.513 -5.272 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.516 -6.242 -5.992 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.220 -2.350 -7.244 1.00 0.00 N ATOM 1236 CA LYS A 85 0.607 -1.156 -7.458 1.00 0.00 C ATOM 1237 C LYS A 85 -0.139 -0.151 -8.250 1.00 0.00 C ATOM 1238 O LYS A 85 -0.272 0.987 -7.836 1.00 0.00 O ATOM 1239 CB LYS A 85 1.890 -1.513 -8.203 1.00 0.00 C ATOM 1240 CG LYS A 85 2.815 -2.383 -7.420 1.00 0.00 C ATOM 1241 CD LYS A 85 3.934 -2.931 -8.272 1.00 0.00 C ATOM 1242 CE LYS A 85 4.602 -4.044 -7.528 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.617 -4.759 -8.324 1.00 0.00 N ATOM 0 H LYS A 85 0.219 -3.218 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 85 0.859 -0.745 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.631 -2.018 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.411 -0.594 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.236 -1.812 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.253 -3.209 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.543 -3.293 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.653 -2.145 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.073 -3.640 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.845 -4.755 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.087 -5.471 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.158 -5.230 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.323 -4.081 -8.676 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.688 -0.616 -9.335 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.405 0.199 -10.278 1.00 0.00 C ATOM 1259 C HIS A 86 -2.522 0.951 -9.583 1.00 0.00 C ATOM 1260 O HIS A 86 -2.573 2.187 -9.598 1.00 0.00 O ATOM 1261 CB HIS A 86 -1.976 -0.664 -11.404 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.584 0.137 -12.501 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.829 -0.099 -13.018 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.076 1.161 -13.196 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.061 0.741 -13.994 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.010 1.527 -14.129 1.00 0.00 N ATOM 0 H HIS A 86 -0.649 -1.601 -9.597 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.710 0.920 -10.708 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.182 -1.288 -11.814 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.729 -1.336 -10.993 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.107 1.616 -13.049 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.961 0.784 -14.589 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -2.910 2.279 -14.811 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.356 0.208 -8.914 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.520 0.788 -8.251 1.00 0.00 C ATOM 1276 C LYS A 87 -4.104 1.747 -7.151 1.00 0.00 C ATOM 1277 O LYS A 87 -4.747 2.763 -6.922 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.447 -0.267 -7.689 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.124 -1.125 -8.715 1.00 0.00 C ATOM 1280 CD LYS A 87 -7.012 -2.134 -8.032 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.703 -3.035 -9.029 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.703 -2.327 -9.850 1.00 0.00 N ATOM 0 H LYS A 87 -3.264 -0.802 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.067 1.339 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.877 -0.910 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.211 0.225 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.715 -0.504 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.378 -1.636 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.417 -2.738 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.759 -1.614 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.956 -3.484 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.191 -3.851 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.214 -3.012 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.377 -1.835 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.224 -1.633 -10.459 1.00 0.00 H new ATOM 1296 N THR A 88 -2.988 1.450 -6.562 1.00 0.00 N ATOM 1297 CA THR A 88 -2.480 2.144 -5.469 1.00 0.00 C ATOM 1298 C THR A 88 -2.029 3.496 -5.859 1.00 0.00 C ATOM 1299 O THR A 88 -2.553 4.463 -5.374 1.00 0.00 O ATOM 1300 CB THR A 88 -1.343 1.363 -4.860 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.864 0.215 -4.202 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.533 2.217 -3.932 1.00 0.00 C ATOM 0 H THR A 88 -2.394 0.676 -6.861 1.00 0.00 H new ATOM 0 HA THR A 88 -3.273 2.261 -4.731 1.00 0.00 H new ATOM 0 HB THR A 88 -0.667 1.036 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.948 -0.520 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.279 1.626 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.118 3.061 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.170 2.586 -3.128 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.096 3.564 -6.761 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.582 4.822 -7.162 1.00 0.00 C ATOM 1312 C LYS A 89 -1.635 5.681 -7.852 1.00 0.00 C ATOM 1313 O LYS A 89 -1.611 6.902 -7.747 1.00 0.00 O ATOM 1314 CB LYS A 89 0.725 4.668 -7.947 1.00 0.00 C ATOM 1315 CG LYS A 89 0.763 3.496 -8.892 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.067 3.668 -10.083 1.00 0.00 C ATOM 1317 CE LYS A 89 0.530 4.696 -11.032 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.876 4.296 -11.515 1.00 0.00 N ATOM 0 H LYS A 89 -0.681 2.758 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.318 5.381 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.899 5.581 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.548 4.572 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.794 3.325 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.437 2.602 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.170 2.713 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.069 3.981 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.135 4.831 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.598 5.659 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.094 4.804 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.588 4.531 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.890 3.272 -11.694 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.585 5.022 -8.546 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.745 5.756 -9.109 1.00 0.00 C ATOM 1334 C GLU A 90 -4.589 6.354 -7.982 1.00 0.00 C ATOM 1335 O GLU A 90 -5.011 7.538 -8.046 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.660 4.878 -9.942 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.062 4.270 -11.180 1.00 0.00 C ATOM 1338 CD GLU A 90 -5.128 3.609 -12.002 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.826 2.708 -11.489 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -5.338 4.028 -13.157 1.00 0.00 O ATOM 0 H GLU A 90 -2.579 4.018 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.323 6.529 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.027 4.071 -9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.526 5.471 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.565 5.041 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.301 3.540 -10.904 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.764 5.567 -6.914 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.560 5.986 -5.782 1.00 0.00 C ATOM 1349 C TYR A 91 -4.855 7.117 -5.114 1.00 0.00 C ATOM 1350 O TYR A 91 -5.449 8.111 -4.823 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.783 4.818 -4.791 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.104 5.237 -3.359 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.273 5.924 -3.039 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.220 4.934 -2.328 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.544 6.296 -1.732 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.481 5.299 -1.033 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.643 5.980 -0.731 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.903 6.349 0.579 1.00 0.00 O ATOM 0 H TYR A 91 -4.359 4.636 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.544 6.306 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.598 4.197 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.888 4.196 -4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.977 6.170 -3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.309 4.400 -2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.453 6.829 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.779 5.054 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.169 6.049 1.155 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.565 6.935 -4.913 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.678 7.946 -4.330 1.00 0.00 C ATOM 1370 C ILE A 92 -2.813 9.273 -5.017 1.00 0.00 C ATOM 1371 O ILE A 92 -3.080 10.275 -4.348 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.206 7.497 -4.412 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.962 6.273 -3.533 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.256 8.650 -4.061 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.610 6.578 -2.138 1.00 0.00 C ATOM 0 H ILE A 92 -3.086 6.067 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.976 8.057 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.994 7.208 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.859 5.653 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.161 5.680 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.776 8.304 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.409 9.473 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.459 8.993 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.455 5.648 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.305 7.170 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.419 7.142 -1.674 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.617 9.283 -6.325 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.722 10.497 -7.083 1.00 0.00 C ATOM 1389 C LYS A 93 -4.049 11.140 -6.820 1.00 0.00 C ATOM 1390 O LYS A 93 -4.111 12.254 -6.272 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.542 10.246 -8.582 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.152 9.794 -8.981 1.00 0.00 C ATOM 1393 CD LYS A 93 -1.058 9.552 -10.475 1.00 0.00 C ATOM 1394 CE LYS A 93 0.345 9.140 -10.872 1.00 0.00 C ATOM 1395 NZ LYS A 93 0.467 8.892 -12.319 1.00 0.00 N ATOM 0 H LYS A 93 -2.384 8.457 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.922 11.166 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.261 9.491 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.782 11.162 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.423 10.549 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.897 8.879 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.765 8.775 -10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.340 10.458 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.047 9.921 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.625 8.239 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.444 8.613 -12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.183 8.129 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.226 9.759 -12.841 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.107 10.372 -7.006 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.432 10.934 -6.931 1.00 0.00 C ATOM 1411 C LYS A 94 -6.716 11.393 -5.520 1.00 0.00 C ATOM 1412 O LYS A 94 -7.430 12.384 -5.299 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.511 9.944 -7.395 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.907 10.557 -7.476 1.00 0.00 C ATOM 1415 CD LYS A 94 -8.987 11.615 -8.575 1.00 0.00 C ATOM 1416 CE LYS A 94 -10.313 12.369 -8.556 1.00 0.00 C ATOM 1417 NZ LYS A 94 -11.480 11.461 -8.538 1.00 0.00 N ATOM 0 H LYS A 94 -5.071 9.373 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.466 11.787 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.237 9.554 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.534 9.097 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.640 9.773 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.165 11.006 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.167 12.323 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.857 11.138 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.347 13.016 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.373 13.015 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.349 12.010 -8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.378 10.750 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.535 10.984 -7.615 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.147 10.690 -4.582 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.289 11.014 -3.236 1.00 0.00 C ATOM 1433 C TYR A 95 -5.630 12.355 -2.923 1.00 0.00 C ATOM 1434 O TYR A 95 -6.240 13.218 -2.381 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.704 9.905 -2.398 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.691 10.245 -0.952 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.866 10.222 -0.216 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.540 10.675 -0.342 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.884 10.604 1.099 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.552 11.070 0.960 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.723 11.031 1.684 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.724 11.441 2.987 1.00 0.00 O ATOM 0 H TYR A 95 -5.568 9.869 -4.758 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.348 11.117 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.281 8.993 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.687 9.698 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.782 9.898 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.616 10.700 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.802 10.569 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.641 11.415 1.427 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.184 10.775 3.539 1.00 0.00 H new ATOM 1452 N MET A 96 -4.396 12.525 -3.294 1.00 0.00 N ATOM 1453 CA MET A 96 -3.697 13.733 -2.982 1.00 0.00 C ATOM 1454 C MET A 96 -4.264 14.939 -3.703 1.00 0.00 C ATOM 1455 O MET A 96 -4.069 16.082 -3.269 1.00 0.00 O ATOM 1456 CB MET A 96 -2.231 13.578 -3.240 1.00 0.00 C ATOM 1457 CG MET A 96 -1.648 12.375 -2.513 1.00 0.00 C ATOM 1458 SD MET A 96 0.046 12.563 -2.032 1.00 0.00 S ATOM 1459 CE MET A 96 -0.122 13.984 -1.000 1.00 0.00 C ATOM 0 H MET A 96 -3.852 11.838 -3.816 1.00 0.00 H new ATOM 0 HA MET A 96 -3.840 13.920 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.061 13.472 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.710 14.481 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.246 12.178 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.736 11.499 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.769 14.092 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.243 14.872 -1.620 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.996 13.867 -0.359 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.016 14.679 -4.775 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.645 15.758 -5.533 1.00 0.00 C ATOM 1471 C GLN A 97 -6.647 16.526 -4.689 1.00 0.00 C ATOM 1472 O GLN A 97 -6.915 17.706 -4.950 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.323 15.273 -6.818 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.450 14.423 -7.717 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.062 14.983 -7.931 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.825 15.769 -8.848 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.127 14.527 -7.113 1.00 0.00 N ATOM 0 H GLN A 97 -5.202 13.742 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.831 16.424 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.210 14.699 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.664 16.141 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.366 13.425 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.940 14.313 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.375 13.876 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.159 14.826 -7.228 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.156 15.884 -3.653 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.184 16.489 -2.843 1.00 0.00 C ATOM 1488 C LYS A 98 -7.625 17.504 -1.863 1.00 0.00 C ATOM 1489 O LYS A 98 -8.338 18.392 -1.412 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.013 15.405 -2.135 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.306 14.574 -1.054 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.228 15.233 0.317 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.547 15.842 0.764 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.683 14.882 0.840 1.00 0.00 N ATOM 0 H LYS A 98 -6.873 14.949 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.845 17.045 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.879 15.886 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.392 14.720 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.825 13.621 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.294 14.352 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.909 14.493 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.465 16.011 0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.407 16.297 1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.813 16.644 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.473 15.233 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.378 13.954 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.993 14.788 1.828 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.353 17.364 -1.522 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.727 18.289 -0.582 1.00 0.00 C ATOM 1510 C PHE A 99 -5.551 19.659 -1.207 1.00 0.00 C ATOM 1511 O PHE A 99 -5.788 20.682 -0.565 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.386 17.765 -0.054 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.490 16.547 0.816 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.214 16.593 1.996 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.852 15.368 0.474 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.312 15.484 2.814 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.943 14.261 1.297 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.682 14.334 2.464 1.00 0.00 C ATOM 0 H PHE A 99 -5.739 16.630 -1.875 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.400 18.375 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.741 17.535 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.898 18.559 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.709 17.510 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.280 15.312 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.887 15.532 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.440 13.344 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.758 13.467 3.103 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.177 19.674 -2.461 1.00 0.00 N ATOM 1529 CA GLY A 100 -4.992 20.903 -3.149 1.00 0.00 C ATOM 1530 C GLY A 100 -3.553 21.143 -3.370 1.00 0.00 C ATOM 1531 O GLY A 100 -2.874 20.304 -3.926 1.00 0.00 O ATOM 0 H GLY A 100 -4.997 18.839 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.516 20.878 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.422 21.721 -2.571 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.073 22.231 -2.892 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.691 22.570 -3.064 1.00 0.00 C ATOM 1537 C ALA A 101 -0.847 21.875 -2.018 1.00 0.00 C ATOM 1538 O ALA A 101 0.189 21.291 -2.331 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.495 24.073 -3.007 1.00 0.00 C ATOM 0 H ALA A 101 -3.618 22.917 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.370 22.228 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.439 24.307 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.074 24.546 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.831 24.447 -2.040 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.303 21.887 -0.787 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.521 21.311 0.286 1.00 0.00 C ATOM 1547 C VAL A 102 -1.310 20.165 0.904 1.00 0.00 C ATOM 1548 O VAL A 102 -2.539 20.125 0.829 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.165 22.341 1.390 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.085 21.954 2.144 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.078 23.756 0.860 1.00 0.00 C ATOM 0 H VAL A 102 -2.199 22.283 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 102 0.419 20.960 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.992 22.322 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.296 22.703 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.938 20.984 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.924 21.895 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.174 24.435 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.693 23.810 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.038 24.044 0.432 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.602 19.258 1.498 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.160 18.124 2.132 1.00 0.00 C ATOM 1563 C TYR A 103 -1.589 18.490 3.535 1.00 0.00 C ATOM 1564 O TYR A 103 -0.777 18.615 4.460 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.169 16.931 2.075 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.411 15.804 3.066 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.674 15.407 3.410 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.646 15.182 3.679 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.885 14.429 4.335 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.449 14.202 4.621 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.817 13.831 4.949 1.00 0.00 C ATOM 1572 OH TYR A 103 -1.021 12.872 5.917 1.00 0.00 O ATOM 0 H TYR A 103 0.416 19.295 1.552 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.055 17.795 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.195 16.513 1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.838 17.316 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.523 15.879 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.654 15.468 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.892 14.126 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.295 13.729 5.098 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.156 12.551 6.247 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.855 18.713 3.651 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.498 19.030 4.890 1.00 0.00 C ATOM 1584 C LYS A 104 -4.396 17.857 5.278 1.00 0.00 C ATOM 1585 O LYS A 104 -5.524 17.787 4.832 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.363 20.265 4.693 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.615 21.511 4.227 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.581 22.639 3.877 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.463 22.274 2.682 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.456 23.323 2.384 1.00 0.00 N ATOM 0 H LYS A 104 -3.497 18.679 2.859 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.756 19.216 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.140 20.033 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.865 20.492 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.934 21.843 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.006 21.268 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.209 22.861 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.018 23.544 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.836 22.110 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.978 21.335 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.032 23.034 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.072 23.463 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.965 24.213 2.164 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.902 16.900 6.080 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.664 15.681 6.461 1.00 0.00 C ATOM 1606 C PRO A 105 -5.944 15.983 7.245 1.00 0.00 C ATOM 1607 O PRO A 105 -6.767 15.111 7.469 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.692 14.862 7.279 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.645 15.823 7.691 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.568 16.894 6.651 1.00 0.00 C ATOM 0 HA PRO A 105 -5.019 15.153 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.181 14.414 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.271 14.045 6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.883 16.253 8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.684 15.319 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.312 17.860 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.810 16.672 5.900 1.00 0.00 H new ATOM 1618 N LYS A 106 -6.081 17.204 7.702 1.00 0.00 N ATOM 1619 CA LYS A 106 -7.354 17.684 8.249 1.00 0.00 C ATOM 1620 C LYS A 106 -8.472 17.563 7.196 1.00 0.00 C ATOM 1621 O LYS A 106 -9.659 17.523 7.528 1.00 0.00 O ATOM 1622 CB LYS A 106 -7.251 19.124 8.786 1.00 0.00 C ATOM 1623 CG LYS A 106 -6.422 19.303 10.073 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.933 19.007 9.894 1.00 0.00 C ATOM 1625 CE LYS A 106 -4.170 19.194 11.192 1.00 0.00 C ATOM 1626 NZ LYS A 106 -4.620 18.261 12.243 1.00 0.00 N ATOM 0 H LYS A 106 -5.331 17.896 7.712 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.605 17.049 9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.818 19.752 8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.259 19.495 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.539 20.326 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.823 18.648 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.804 17.985 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.519 19.665 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.105 19.047 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.295 20.219 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.938 18.268 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.554 18.556 12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.685 17.300 11.850 1.00 0.00 H new ATOM 1640 N GLU A 107 -8.067 17.483 5.940 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.973 17.293 4.826 1.00 0.00 C ATOM 1642 C GLU A 107 -9.078 15.802 4.457 1.00 0.00 C ATOM 1643 O GLU A 107 -9.878 15.435 3.628 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.457 18.055 3.600 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.263 19.541 3.807 1.00 0.00 C ATOM 1646 CD GLU A 107 -9.532 20.225 4.198 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -10.393 20.466 3.319 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -9.704 20.540 5.372 1.00 0.00 O ATOM 0 H GLU A 107 -7.087 17.549 5.664 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.953 17.666 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.506 17.619 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.156 17.906 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.511 19.704 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.879 19.987 2.890 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.262 14.962 5.074 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.198 13.515 4.747 1.00 0.00 C ATOM 1657 C ASP A 108 -9.553 12.804 4.867 1.00 0.00 C ATOM 1658 O ASP A 108 -10.404 13.184 5.667 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.065 12.813 5.536 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.310 11.347 5.858 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -7.222 10.479 4.952 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -7.594 11.040 7.040 1.00 0.00 O ATOM 0 H ASP A 108 -7.621 15.246 5.815 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.944 13.439 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.142 12.893 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.907 13.352 6.470 1.00 0.00 H new ATOM 1667 N THR A 109 -9.716 11.757 4.080 1.00 0.00 N ATOM 1668 CA THR A 109 -10.972 11.070 3.899 1.00 0.00 C ATOM 1669 C THR A 109 -11.233 10.041 4.975 1.00 0.00 C ATOM 1670 O THR A 109 -12.252 9.358 4.944 1.00 0.00 O ATOM 1671 CB THR A 109 -10.988 10.412 2.513 1.00 0.00 C ATOM 1672 OG1 THR A 109 -9.825 9.560 2.349 1.00 0.00 O ATOM 1673 CG2 THR A 109 -10.943 11.487 1.458 1.00 0.00 C ATOM 0 H THR A 109 -8.954 11.353 3.536 1.00 0.00 H new ATOM 0 HA THR A 109 -11.771 11.807 3.976 1.00 0.00 H new ATOM 0 HB THR A 109 -11.894 9.814 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.847 9.144 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.954 11.028 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 109 -11.810 12.138 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.032 12.074 1.575 1.00 0.00 H new TER 1681 THR A 109