USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 56 TYR OH : rot 180:sc= 0.0643 USER MOD Set 1.2: A 60 SER OG : rot 112:sc= 0.597 USER MOD Set 2.1: A 8 SER OG : rot 57:sc= -0.137 USER MOD Set 2.2: A 68 TYR OH : rot 165:sc= 1.37 USER MOD Set 2.3: A 73 HIS : no HD1:sc= -0.559 K(o=0.68,f=-10!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -92:sc= 0.00115 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.066) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 174:sc= 0 (180deg=-0.0564) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-6.7!) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0137) USER MOD Single : A 40 ASN : amide:sc= -1.83 K(o=-1.8,f=-6.2!) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc=-0.00506 (180deg=-0.136) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 132:sc= -0.214 (180deg=-0.939) USER MOD Single : A 58 THR OG1 : rot 153:sc= 0.942 USER MOD Single : A 63 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.00213 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.277 11.196 -5.807 1.00 0.00 N ATOM 60 CA GLY A 7 1.043 11.906 -6.089 1.00 0.00 C ATOM 61 C GLY A 7 -0.187 11.101 -5.719 1.00 0.00 C ATOM 62 O GLY A 7 -1.100 11.612 -5.070 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.036 12.848 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.005 12.155 -7.150 1.00 0.00 H new ATOM 66 N SER A 8 -0.213 9.839 -6.134 1.00 0.00 N ATOM 67 CA SER A 8 -1.343 8.963 -5.847 1.00 0.00 C ATOM 68 C SER A 8 -0.887 7.718 -5.092 1.00 0.00 C ATOM 69 O SER A 8 0.299 7.387 -5.076 1.00 0.00 O ATOM 70 CB SER A 8 -2.044 8.558 -7.145 1.00 0.00 C ATOM 71 OG SER A 8 -2.914 7.459 -6.934 1.00 0.00 O ATOM 0 H SER A 8 0.535 9.400 -6.670 1.00 0.00 H new ATOM 0 HA SER A 8 -2.045 9.511 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.610 9.404 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.300 8.297 -7.898 1.00 0.00 H new ATOM 0 HG SER A 8 -3.565 7.686 -6.238 1.00 0.00 H new ATOM 77 N TYR A 9 -1.837 7.031 -4.468 1.00 0.00 N ATOM 78 CA TYR A 9 -1.535 5.824 -3.709 1.00 0.00 C ATOM 79 C TYR A 9 -0.948 4.744 -4.613 1.00 0.00 C ATOM 80 O TYR A 9 0.119 4.198 -4.335 1.00 0.00 O ATOM 81 CB TYR A 9 -2.796 5.299 -3.021 1.00 0.00 C ATOM 82 CG TYR A 9 -3.453 6.309 -2.108 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.694 7.242 -1.412 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.832 6.330 -1.941 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.290 8.167 -0.576 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.437 7.252 -1.108 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.662 8.168 -0.428 1.00 0.00 C ATOM 88 OH TYR A 9 -5.260 9.087 0.403 1.00 0.00 O ATOM 0 H TYR A 9 -2.824 7.290 -4.473 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.795 6.079 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.513 4.989 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.541 4.411 -2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.620 7.244 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.442 5.613 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.686 8.885 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.511 7.255 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.231 8.953 0.394 1.00 0.00 H new ATOM 98 N TYR A 10 -1.654 4.442 -5.697 1.00 0.00 N ATOM 99 CA TYR A 10 -1.206 3.427 -6.643 1.00 0.00 C ATOM 100 C TYR A 10 0.280 3.586 -6.949 1.00 0.00 C ATOM 101 O TYR A 10 0.951 2.629 -7.336 1.00 0.00 O ATOM 102 CB TYR A 10 -2.016 3.513 -7.938 1.00 0.00 C ATOM 103 CG TYR A 10 -3.500 3.300 -7.739 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.992 2.084 -7.281 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.410 4.315 -8.008 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.346 1.884 -7.099 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.766 4.124 -7.827 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.230 2.907 -7.373 1.00 0.00 C ATOM 109 OH TYR A 10 -7.580 2.713 -7.191 1.00 0.00 O ATOM 0 H TYR A 10 -2.539 4.886 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.363 2.449 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.855 4.490 -8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.642 2.769 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.303 1.281 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.051 5.269 -8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.711 0.932 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.460 4.924 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.981 2.397 -8.028 1.00 0.00 H new ATOM 119 N ASP A 11 0.788 4.800 -6.771 1.00 0.00 N ATOM 120 CA ASP A 11 2.195 5.086 -7.026 1.00 0.00 C ATOM 121 C ASP A 11 3.033 4.848 -5.773 1.00 0.00 C ATOM 122 O ASP A 11 4.077 4.198 -5.827 1.00 0.00 O ATOM 123 CB ASP A 11 2.366 6.529 -7.503 1.00 0.00 C ATOM 124 CG ASP A 11 2.248 6.659 -9.009 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.218 6.222 -9.563 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.186 7.197 -9.632 1.00 0.00 O ATOM 0 H ASP A 11 0.246 5.603 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 11 2.542 4.410 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.613 7.158 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.340 6.901 -7.184 1.00 0.00 H new ATOM 131 N ILE A 12 2.568 5.380 -4.647 1.00 0.00 N ATOM 132 CA ILE A 12 3.275 5.225 -3.382 1.00 0.00 C ATOM 133 C ILE A 12 3.462 3.753 -3.033 1.00 0.00 C ATOM 134 O ILE A 12 4.508 3.352 -2.521 1.00 0.00 O ATOM 135 CB ILE A 12 2.527 5.924 -2.231 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.448 7.430 -2.485 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.215 5.640 -0.904 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.581 8.166 -1.487 1.00 0.00 C ATOM 0 H ILE A 12 1.706 5.921 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 12 4.252 5.692 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 12 1.512 5.530 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.454 7.848 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.058 7.601 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.675 6.140 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.224 4.565 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.240 6.010 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.571 9.229 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.565 7.775 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.982 8.025 -0.483 1.00 0.00 H new ATOM 150 N LEU A 13 2.441 2.950 -3.314 1.00 0.00 N ATOM 151 CA LEU A 13 2.493 1.520 -3.032 1.00 0.00 C ATOM 152 C LEU A 13 3.140 0.760 -4.185 1.00 0.00 C ATOM 153 O LEU A 13 3.957 -0.136 -3.971 1.00 0.00 O ATOM 154 CB LEU A 13 1.085 0.979 -2.777 1.00 0.00 C ATOM 155 CG LEU A 13 0.387 1.491 -1.516 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.066 1.043 -1.491 1.00 0.00 C ATOM 157 CD2 LEU A 13 1.117 1.011 -0.271 1.00 0.00 C ATOM 0 H LEU A 13 1.568 3.265 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 13 3.100 1.373 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.462 1.224 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.140 -0.108 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 13 0.409 2.581 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.546 1.417 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.583 1.437 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.111 -0.046 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.607 1.385 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.127 -0.079 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.142 1.383 -0.284 1.00 0.00 H new ATOM 169 N GLY A 14 2.772 1.125 -5.409 1.00 0.00 N ATOM 170 CA GLY A 14 3.328 0.470 -6.578 1.00 0.00 C ATOM 171 C GLY A 14 2.376 -0.543 -7.183 1.00 0.00 C ATOM 172 O GLY A 14 2.802 -1.583 -7.687 1.00 0.00 O ATOM 0 H GLY A 14 2.098 1.863 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.578 1.221 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.258 -0.028 -6.304 1.00 0.00 H new ATOM 176 N VAL A 15 1.082 -0.241 -7.132 1.00 0.00 N ATOM 177 CA VAL A 15 0.067 -1.133 -7.679 1.00 0.00 C ATOM 178 C VAL A 15 -0.696 -0.466 -8.817 1.00 0.00 C ATOM 179 O VAL A 15 -0.786 0.759 -8.903 1.00 0.00 O ATOM 180 CB VAL A 15 -0.934 -1.575 -6.595 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.319 -2.643 -5.703 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.390 -0.380 -5.772 1.00 0.00 C ATOM 0 H VAL A 15 0.712 0.615 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 15 0.589 -2.010 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.808 -2.004 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.041 -2.943 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.047 -3.509 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.572 -2.244 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.097 -0.711 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.527 0.081 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.873 0.348 -6.424 1.00 0.00 H new ATOM 192 N PRO A 16 -1.259 -1.289 -9.714 1.00 0.00 N ATOM 193 CA PRO A 16 -2.026 -0.800 -10.864 1.00 0.00 C ATOM 194 C PRO A 16 -3.356 -0.179 -10.453 1.00 0.00 C ATOM 195 O PRO A 16 -3.861 -0.434 -9.359 1.00 0.00 O ATOM 196 CB PRO A 16 -2.261 -2.064 -11.696 1.00 0.00 C ATOM 197 CG PRO A 16 -2.193 -3.182 -10.714 1.00 0.00 C ATOM 198 CD PRO A 16 -1.192 -2.759 -9.674 1.00 0.00 C ATOM 0 HA PRO A 16 -1.498 -0.011 -11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.229 -2.035 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.504 -2.173 -12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.169 -3.366 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.885 -4.109 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.449 -3.146 -8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.191 -3.122 -9.908 1.00 0.00 H new ATOM 206 N LYS A 17 -3.921 0.638 -11.336 1.00 0.00 N ATOM 207 CA LYS A 17 -5.194 1.296 -11.066 1.00 0.00 C ATOM 208 C LYS A 17 -6.309 0.270 -10.890 1.00 0.00 C ATOM 209 O LYS A 17 -7.306 0.532 -10.217 1.00 0.00 O ATOM 210 CB LYS A 17 -5.545 2.258 -12.203 1.00 0.00 C ATOM 211 CG LYS A 17 -4.460 3.281 -12.491 1.00 0.00 C ATOM 212 CD LYS A 17 -4.178 4.151 -11.278 1.00 0.00 C ATOM 213 CE LYS A 17 -3.226 5.288 -11.618 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.807 4.835 -11.642 1.00 0.00 N ATOM 0 H LYS A 17 -3.517 0.860 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.094 1.861 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.739 1.682 -13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.468 2.781 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.546 2.769 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.764 3.910 -13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.114 4.560 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.749 3.541 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.491 5.705 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.340 6.088 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.190 5.638 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.546 4.460 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.693 4.089 -12.358 1.00 0.00 H new ATOM 228 N SER A 18 -6.134 -0.898 -11.499 1.00 0.00 N ATOM 229 CA SER A 18 -7.127 -1.962 -11.411 1.00 0.00 C ATOM 230 C SER A 18 -6.628 -3.100 -10.526 1.00 0.00 C ATOM 231 O SER A 18 -7.114 -4.227 -10.611 1.00 0.00 O ATOM 232 CB SER A 18 -7.459 -2.495 -12.806 1.00 0.00 C ATOM 233 OG SER A 18 -8.488 -1.731 -13.412 1.00 0.00 O ATOM 0 H SER A 18 -5.314 -1.132 -12.059 1.00 0.00 H new ATOM 0 HA SER A 18 -8.030 -1.546 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.566 -2.469 -13.431 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.769 -3.538 -12.736 1.00 0.00 H new ATOM 0 HG SER A 18 -8.681 -2.090 -14.303 1.00 0.00 H new ATOM 239 N ALA A 19 -5.653 -2.795 -9.675 1.00 0.00 N ATOM 240 CA ALA A 19 -5.088 -3.790 -8.772 1.00 0.00 C ATOM 241 C ALA A 19 -6.171 -4.420 -7.903 1.00 0.00 C ATOM 242 O ALA A 19 -7.195 -3.797 -7.621 1.00 0.00 O ATOM 243 CB ALA A 19 -4.010 -3.162 -7.902 1.00 0.00 C ATOM 0 H ALA A 19 -5.238 -1.867 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.638 -4.578 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.597 -3.917 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.216 -2.765 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.443 -2.353 -7.314 1.00 0.00 H new ATOM 249 N SER A 20 -5.939 -5.659 -7.481 1.00 0.00 N ATOM 250 CA SER A 20 -6.898 -6.375 -6.648 1.00 0.00 C ATOM 251 C SER A 20 -6.439 -6.401 -5.193 1.00 0.00 C ATOM 252 O SER A 20 -5.250 -6.273 -4.904 1.00 0.00 O ATOM 253 CB SER A 20 -7.085 -7.804 -7.161 1.00 0.00 C ATOM 254 OG SER A 20 -8.137 -8.460 -6.474 1.00 0.00 O ATOM 0 H SER A 20 -5.095 -6.188 -7.702 1.00 0.00 H new ATOM 0 HA SER A 20 -7.852 -5.850 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.301 -7.785 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.158 -8.364 -7.033 1.00 0.00 H new ATOM 0 HG SER A 20 -8.237 -9.371 -6.822 1.00 0.00 H new ATOM 260 N GLU A 21 -7.392 -6.569 -4.281 1.00 0.00 N ATOM 261 CA GLU A 21 -7.087 -6.611 -2.856 1.00 0.00 C ATOM 262 C GLU A 21 -5.817 -7.418 -2.596 1.00 0.00 C ATOM 263 O GLU A 21 -4.967 -7.016 -1.801 1.00 0.00 O ATOM 264 CB GLU A 21 -8.257 -7.216 -2.078 1.00 0.00 C ATOM 265 CG GLU A 21 -8.233 -6.894 -0.594 1.00 0.00 C ATOM 266 CD GLU A 21 -9.417 -7.481 0.150 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.538 -6.955 -0.006 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.221 -8.469 0.889 1.00 0.00 O ATOM 0 H GLU A 21 -8.381 -6.678 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.924 -5.589 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.192 -6.853 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.247 -8.298 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.310 -7.275 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.225 -5.812 -0.461 1.00 0.00 H new ATOM 275 N ARG A 22 -5.698 -8.557 -3.270 1.00 0.00 N ATOM 276 CA ARG A 22 -4.535 -9.421 -3.110 1.00 0.00 C ATOM 277 C ARG A 22 -3.256 -8.688 -3.502 1.00 0.00 C ATOM 278 O ARG A 22 -2.211 -8.867 -2.877 1.00 0.00 O ATOM 279 CB ARG A 22 -4.692 -10.684 -3.958 1.00 0.00 C ATOM 280 CG ARG A 22 -3.442 -11.549 -3.999 1.00 0.00 C ATOM 281 CD ARG A 22 -3.635 -12.764 -4.893 1.00 0.00 C ATOM 282 NE ARG A 22 -3.595 -12.413 -6.310 1.00 0.00 N ATOM 283 CZ ARG A 22 -3.961 -13.241 -7.283 1.00 0.00 C ATOM 284 NH1 ARG A 22 -4.392 -14.461 -6.993 1.00 0.00 N ATOM 285 NH2 ARG A 22 -3.896 -12.849 -8.549 1.00 0.00 N ATOM 0 H ARG A 22 -6.393 -8.903 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.464 -9.703 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.520 -11.275 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.959 -10.398 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.601 -10.958 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.190 -11.875 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.858 -13.498 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.591 -13.235 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.268 -11.482 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.443 -14.766 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.672 -15.094 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.565 -11.911 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.177 -13.485 -9.295 1.00 0.00 H new ATOM 299 N GLN A 23 -3.347 -7.863 -4.541 1.00 0.00 N ATOM 300 CA GLN A 23 -2.196 -7.104 -5.016 1.00 0.00 C ATOM 301 C GLN A 23 -1.905 -5.922 -4.097 1.00 0.00 C ATOM 302 O GLN A 23 -0.753 -5.660 -3.752 1.00 0.00 O ATOM 303 CB GLN A 23 -2.439 -6.608 -6.442 1.00 0.00 C ATOM 304 CG GLN A 23 -2.504 -7.725 -7.472 1.00 0.00 C ATOM 305 CD GLN A 23 -2.318 -7.222 -8.890 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.208 -6.880 -9.299 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.406 -7.176 -9.650 1.00 0.00 N ATOM 0 H GLN A 23 -4.205 -7.704 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.330 -7.766 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.373 -6.046 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.643 -5.916 -6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.735 -8.465 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.466 -8.231 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.306 -7.469 -9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.342 -6.848 -10.614 1.00 0.00 H new ATOM 316 N ILE A 24 -2.958 -5.212 -3.704 1.00 0.00 N ATOM 317 CA ILE A 24 -2.815 -4.059 -2.824 1.00 0.00 C ATOM 318 C ILE A 24 -2.263 -4.471 -1.463 1.00 0.00 C ATOM 319 O ILE A 24 -1.453 -3.760 -0.868 1.00 0.00 O ATOM 320 CB ILE A 24 -4.159 -3.335 -2.623 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.719 -2.869 -3.969 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.989 -2.155 -1.677 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.208 -2.606 -3.945 1.00 0.00 C ATOM 0 H ILE A 24 -3.918 -5.415 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.114 -3.378 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.868 -4.033 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.202 -1.959 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.504 -3.625 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.948 -1.653 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.630 -2.511 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.267 -1.454 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.536 -2.279 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.735 -3.520 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.428 -1.828 -3.214 1.00 0.00 H new ATOM 335 N LYS A 25 -2.707 -5.624 -0.976 1.00 0.00 N ATOM 336 CA LYS A 25 -2.256 -6.134 0.314 1.00 0.00 C ATOM 337 C LYS A 25 -0.824 -6.652 0.224 1.00 0.00 C ATOM 338 O LYS A 25 -0.074 -6.604 1.199 1.00 0.00 O ATOM 339 CB LYS A 25 -3.185 -7.251 0.796 1.00 0.00 C ATOM 340 CG LYS A 25 -4.359 -6.753 1.620 1.00 0.00 C ATOM 341 CD LYS A 25 -5.429 -7.822 1.770 1.00 0.00 C ATOM 342 CE LYS A 25 -4.998 -8.907 2.745 1.00 0.00 C ATOM 343 NZ LYS A 25 -5.683 -10.201 2.471 1.00 0.00 N ATOM 0 H LYS A 25 -3.379 -6.224 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.282 -5.313 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.564 -7.795 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.609 -7.960 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.009 -6.447 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.789 -5.871 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.355 -7.365 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.639 -8.267 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.919 -9.046 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.218 -8.588 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.363 -10.915 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.712 -10.074 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.453 -10.518 1.508 1.00 0.00 H new ATOM 357 N LYS A 26 -0.451 -7.145 -0.952 1.00 0.00 N ATOM 358 CA LYS A 26 0.892 -7.669 -1.171 1.00 0.00 C ATOM 359 C LYS A 26 1.897 -6.535 -1.344 1.00 0.00 C ATOM 360 O LYS A 26 2.933 -6.506 -0.681 1.00 0.00 O ATOM 361 CB LYS A 26 0.913 -8.577 -2.403 1.00 0.00 C ATOM 362 CG LYS A 26 0.257 -9.928 -2.175 1.00 0.00 C ATOM 363 CD LYS A 26 1.171 -10.868 -1.407 1.00 0.00 C ATOM 364 CE LYS A 26 0.517 -12.223 -1.186 1.00 0.00 C ATOM 365 NZ LYS A 26 1.498 -13.244 -0.724 1.00 0.00 N ATOM 0 H LYS A 26 -1.060 -7.193 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 26 1.176 -8.251 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.407 -8.071 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.947 -8.732 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.674 -9.793 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.002 -10.374 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.104 -10.998 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.426 -10.424 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.280 -12.126 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.054 -12.558 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.013 -14.153 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.245 -13.356 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.922 -12.937 0.175 1.00 0.00 H new ATOM 379 N ALA A 27 1.582 -5.603 -2.238 1.00 0.00 N ATOM 380 CA ALA A 27 2.457 -4.466 -2.495 1.00 0.00 C ATOM 381 C ALA A 27 2.683 -3.650 -1.227 1.00 0.00 C ATOM 382 O ALA A 27 3.778 -3.137 -0.994 1.00 0.00 O ATOM 383 CB ALA A 27 1.872 -3.588 -3.592 1.00 0.00 C ATOM 0 H ALA A 27 0.728 -5.613 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 27 3.422 -4.849 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.535 -2.743 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.767 -4.171 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.894 -3.221 -3.282 1.00 0.00 H new ATOM 389 N PHE A 28 1.642 -3.533 -0.410 1.00 0.00 N ATOM 390 CA PHE A 28 1.727 -2.777 0.834 1.00 0.00 C ATOM 391 C PHE A 28 2.504 -3.556 1.892 1.00 0.00 C ATOM 392 O PHE A 28 3.517 -3.084 2.407 1.00 0.00 O ATOM 393 CB PHE A 28 0.326 -2.449 1.354 1.00 0.00 C ATOM 394 CG PHE A 28 0.329 -1.680 2.644 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.326 -0.757 2.913 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.664 -1.882 3.589 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.332 -0.047 4.099 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.664 -1.176 4.777 1.00 0.00 C ATOM 399 CZ PHE A 28 0.337 -0.258 5.033 1.00 0.00 C ATOM 0 H PHE A 28 0.729 -3.952 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 28 2.258 -1.847 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.207 -1.873 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.227 -3.378 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.108 -0.590 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.447 -2.600 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.114 0.672 4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.445 -1.341 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.341 0.293 5.962 1.00 0.00 H new ATOM 409 N HIS A 29 2.020 -4.753 2.210 1.00 0.00 N ATOM 410 CA HIS A 29 2.669 -5.599 3.206 1.00 0.00 C ATOM 411 C HIS A 29 4.184 -5.578 3.032 1.00 0.00 C ATOM 412 O HIS A 29 4.918 -5.179 3.937 1.00 0.00 O ATOM 413 CB HIS A 29 2.151 -7.034 3.102 1.00 0.00 C ATOM 414 CG HIS A 29 0.951 -7.301 3.957 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.803 -8.445 4.711 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.162 -6.562 4.176 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.349 -8.400 5.356 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.954 -7.267 5.048 1.00 0.00 N ATOM 0 H HIS A 29 1.182 -5.158 1.793 1.00 0.00 H new ATOM 0 HA HIS A 29 2.429 -5.205 4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.901 -7.247 2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.949 -7.721 3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.385 -5.597 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.731 -9.160 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.862 -6.965 5.401 1.00 0.00 H new ATOM 426 N LYS A 30 4.647 -6.012 1.865 1.00 0.00 N ATOM 427 CA LYS A 30 6.075 -6.044 1.571 1.00 0.00 C ATOM 428 C LYS A 30 6.726 -4.702 1.892 1.00 0.00 C ATOM 429 O LYS A 30 7.748 -4.645 2.578 1.00 0.00 O ATOM 430 CB LYS A 30 6.306 -6.396 0.100 1.00 0.00 C ATOM 431 CG LYS A 30 5.706 -5.391 -0.868 1.00 0.00 C ATOM 432 CD LYS A 30 5.455 -6.011 -2.232 1.00 0.00 C ATOM 433 CE LYS A 30 6.577 -6.958 -2.628 1.00 0.00 C ATOM 434 NZ LYS A 30 6.544 -7.280 -4.082 1.00 0.00 N ATOM 0 H LYS A 30 4.053 -6.347 1.106 1.00 0.00 H new ATOM 0 HA LYS A 30 6.533 -6.810 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.378 -6.469 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.881 -7.379 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.769 -5.009 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.378 -4.539 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.509 -6.552 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.361 -5.223 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.538 -6.508 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.496 -7.879 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.324 -7.928 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.638 -7.733 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.647 -6.405 -4.634 1.00 0.00 H new ATOM 448 N LEU A 31 6.129 -3.625 1.395 1.00 0.00 N ATOM 449 CA LEU A 31 6.650 -2.283 1.630 1.00 0.00 C ATOM 450 C LEU A 31 6.770 -2.000 3.124 1.00 0.00 C ATOM 451 O LEU A 31 7.867 -1.792 3.641 1.00 0.00 O ATOM 452 CB LEU A 31 5.744 -1.241 0.973 1.00 0.00 C ATOM 453 CG LEU A 31 5.882 -1.092 -0.543 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.673 -0.373 -1.121 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.164 -0.350 -0.892 1.00 0.00 C ATOM 0 H LEU A 31 5.283 -3.655 0.826 1.00 0.00 H new ATOM 0 HA LEU A 31 7.644 -2.222 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.708 -1.494 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.944 -0.273 1.433 1.00 0.00 H new ATOM 0 HG LEU A 31 5.931 -2.088 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.789 -0.276 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.771 -0.945 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.591 0.618 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.245 -0.253 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.145 0.642 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.021 -0.906 -0.512 1.00 0.00 H new ATOM 467 N ALA A 32 5.633 -1.996 3.813 1.00 0.00 N ATOM 468 CA ALA A 32 5.611 -1.743 5.248 1.00 0.00 C ATOM 469 C ALA A 32 6.856 -2.307 5.925 1.00 0.00 C ATOM 470 O ALA A 32 7.380 -1.720 6.871 1.00 0.00 O ATOM 471 CB ALA A 32 4.355 -2.336 5.870 1.00 0.00 C ATOM 0 H ALA A 32 4.716 -2.165 3.400 1.00 0.00 H new ATOM 0 HA ALA A 32 5.604 -0.664 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.352 -2.139 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.475 -1.882 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.337 -3.412 5.699 1.00 0.00 H new ATOM 477 N MET A 33 7.323 -3.450 5.434 1.00 0.00 N ATOM 478 CA MET A 33 8.507 -4.094 5.992 1.00 0.00 C ATOM 479 C MET A 33 9.760 -3.274 5.698 1.00 0.00 C ATOM 480 O MET A 33 10.567 -3.014 6.590 1.00 0.00 O ATOM 481 CB MET A 33 8.662 -5.506 5.423 1.00 0.00 C ATOM 482 CG MET A 33 7.440 -6.384 5.637 1.00 0.00 C ATOM 483 SD MET A 33 6.796 -6.282 7.318 1.00 0.00 S ATOM 484 CE MET A 33 5.041 -6.475 7.020 1.00 0.00 C ATOM 0 H MET A 33 6.900 -3.949 4.651 1.00 0.00 H new ATOM 0 HA MET A 33 8.381 -4.158 7.073 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.868 -5.438 4.355 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.527 -5.982 5.885 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.660 -6.091 4.935 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.698 -7.419 5.413 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.515 -6.541 7.973 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.671 -5.617 6.459 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.867 -7.385 6.446 1.00 0.00 H new ATOM 494 N LYS A 34 9.917 -2.871 4.442 1.00 0.00 N ATOM 495 CA LYS A 34 11.071 -2.080 4.030 1.00 0.00 C ATOM 496 C LYS A 34 11.102 -0.742 4.761 1.00 0.00 C ATOM 497 O LYS A 34 12.172 -0.219 5.073 1.00 0.00 O ATOM 498 CB LYS A 34 11.041 -1.847 2.518 1.00 0.00 C ATOM 499 CG LYS A 34 12.147 -0.931 2.022 1.00 0.00 C ATOM 500 CD LYS A 34 11.802 -0.317 0.676 1.00 0.00 C ATOM 501 CE LYS A 34 12.277 -1.192 -0.474 1.00 0.00 C ATOM 502 NZ LYS A 34 12.613 -0.387 -1.681 1.00 0.00 N ATOM 0 H LYS A 34 9.259 -3.079 3.691 1.00 0.00 H new ATOM 0 HA LYS A 34 11.972 -2.636 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.121 -2.808 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.076 -1.420 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.319 -0.139 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.077 -1.494 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.724 -0.175 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.259 0.669 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.153 -1.760 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.501 -1.916 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.932 -1.020 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.770 0.135 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.371 0.286 -1.449 1.00 0.00 H new ATOM 516 N TYR A 35 9.923 -0.194 5.033 1.00 0.00 N ATOM 517 CA TYR A 35 9.816 1.084 5.727 1.00 0.00 C ATOM 518 C TYR A 35 9.143 0.912 7.085 1.00 0.00 C ATOM 519 O TYR A 35 8.551 1.850 7.621 1.00 0.00 O ATOM 520 CB TYR A 35 9.030 2.085 4.878 1.00 0.00 C ATOM 521 CG TYR A 35 9.717 2.451 3.582 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.703 3.429 3.547 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.380 1.819 2.391 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.333 3.767 2.365 1.00 0.00 C ATOM 525 CE2 TYR A 35 10.005 2.150 1.205 1.00 0.00 C ATOM 526 CZ TYR A 35 10.981 3.124 1.197 1.00 0.00 C ATOM 527 OH TYR A 35 11.606 3.457 0.017 1.00 0.00 O ATOM 0 H TYR A 35 9.028 -0.615 4.784 1.00 0.00 H new ATOM 0 HA TYR A 35 10.824 1.467 5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.049 1.667 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.865 2.991 5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.982 3.934 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.616 1.056 2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.097 4.530 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.731 1.649 0.289 1.00 0.00 H new ATOM 0 HH TYR A 35 11.243 2.911 -0.711 1.00 0.00 H new ATOM 537 N HIS A 36 9.237 -0.293 7.636 1.00 0.00 N ATOM 538 CA HIS A 36 8.638 -0.590 8.933 1.00 0.00 C ATOM 539 C HIS A 36 9.290 0.240 10.035 1.00 0.00 C ATOM 540 O HIS A 36 10.497 0.167 10.269 1.00 0.00 O ATOM 541 CB HIS A 36 8.774 -2.079 9.252 1.00 0.00 C ATOM 542 CG HIS A 36 7.689 -2.602 10.143 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.161 -1.877 11.190 1.00 0.00 N ATOM 544 CD2 HIS A 36 7.032 -3.785 10.138 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.227 -2.592 11.791 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.129 -3.754 11.172 1.00 0.00 N ATOM 0 H HIS A 36 9.722 -1.080 7.205 1.00 0.00 H new ATOM 0 HA HIS A 36 7.580 -0.332 8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.771 -2.644 8.320 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.739 -2.254 9.727 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.189 -4.602 9.449 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.643 -2.279 12.644 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.487 -4.506 11.421 1.00 0.00 H new ATOM 554 N PRO A 37 8.475 1.049 10.728 1.00 0.00 N ATOM 555 CA PRO A 37 8.951 1.908 11.816 1.00 0.00 C ATOM 556 C PRO A 37 9.364 1.109 13.047 1.00 0.00 C ATOM 557 O PRO A 37 9.837 1.673 14.034 1.00 0.00 O ATOM 558 CB PRO A 37 7.737 2.786 12.131 1.00 0.00 C ATOM 559 CG PRO A 37 6.563 1.981 11.692 1.00 0.00 C ATOM 560 CD PRO A 37 7.027 1.187 10.502 1.00 0.00 C ATOM 0 HA PRO A 37 9.840 2.471 11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.682 3.019 13.194 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.787 3.736 11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.220 1.323 12.491 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.724 2.626 11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.534 0.216 10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.814 1.704 9.566 1.00 0.00 H new ATOM 568 N ASP A 38 9.184 -0.205 12.981 1.00 0.00 N ATOM 569 CA ASP A 38 9.540 -1.082 14.091 1.00 0.00 C ATOM 570 C ASP A 38 10.848 -1.815 13.806 1.00 0.00 C ATOM 571 O ASP A 38 11.645 -2.058 14.712 1.00 0.00 O ATOM 572 CB ASP A 38 8.421 -2.092 14.350 1.00 0.00 C ATOM 573 CG ASP A 38 8.653 -2.903 15.610 1.00 0.00 C ATOM 574 OD1 ASP A 38 9.806 -3.323 15.840 1.00 0.00 O ATOM 575 OD2 ASP A 38 7.681 -3.117 16.365 1.00 0.00 O ATOM 0 H ASP A 38 8.794 -0.687 12.171 1.00 0.00 H new ATOM 0 HA ASP A 38 9.676 -0.466 14.980 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.471 -1.564 14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.340 -2.766 13.497 1.00 0.00 H new ATOM 580 N LYS A 39 11.061 -2.164 12.543 1.00 0.00 N ATOM 581 CA LYS A 39 12.272 -2.869 12.137 1.00 0.00 C ATOM 582 C LYS A 39 13.354 -1.885 11.704 1.00 0.00 C ATOM 583 O LYS A 39 14.536 -2.088 11.980 1.00 0.00 O ATOM 584 CB LYS A 39 11.963 -3.840 10.995 1.00 0.00 C ATOM 585 CG LYS A 39 10.916 -4.882 11.348 1.00 0.00 C ATOM 586 CD LYS A 39 11.500 -5.989 12.209 1.00 0.00 C ATOM 587 CE LYS A 39 10.426 -6.962 12.670 1.00 0.00 C ATOM 588 NZ LYS A 39 9.871 -7.753 11.537 1.00 0.00 N ATOM 0 H LYS A 39 10.411 -1.970 11.781 1.00 0.00 H new ATOM 0 HA LYS A 39 12.640 -3.432 12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.621 -3.272 10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.882 -4.346 10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.091 -4.405 11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.504 -5.310 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.262 -6.527 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.995 -5.554 13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.845 -7.639 13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.621 -6.411 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.204 -8.462 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.375 -7.117 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.646 -8.232 11.036 1.00 0.00 H new ATOM 602 N ASN A 40 12.942 -0.819 11.026 1.00 0.00 N ATOM 603 CA ASN A 40 13.878 0.196 10.556 1.00 0.00 C ATOM 604 C ASN A 40 14.351 1.075 11.710 1.00 0.00 C ATOM 605 O ASN A 40 13.544 1.605 12.473 1.00 0.00 O ATOM 606 CB ASN A 40 13.224 1.061 9.476 1.00 0.00 C ATOM 607 CG ASN A 40 14.244 1.758 8.597 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.317 2.147 9.060 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.915 1.918 7.321 1.00 0.00 N ATOM 0 H ASN A 40 11.967 -0.636 10.790 1.00 0.00 H new ATOM 0 HA ASN A 40 14.744 -0.312 10.131 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.580 0.438 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.586 1.807 9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.562 2.379 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.015 1.580 6.980 1.00 0.00 H new ATOM 616 N LYS A 41 15.666 1.226 11.830 1.00 0.00 N ATOM 617 CA LYS A 41 16.249 2.042 12.888 1.00 0.00 C ATOM 618 C LYS A 41 16.593 3.436 12.374 1.00 0.00 C ATOM 619 O LYS A 41 17.639 3.992 12.710 1.00 0.00 O ATOM 620 CB LYS A 41 17.504 1.369 13.447 1.00 0.00 C ATOM 621 CG LYS A 41 17.826 1.770 14.876 1.00 0.00 C ATOM 622 CD LYS A 41 18.879 0.862 15.487 1.00 0.00 C ATOM 623 CE LYS A 41 19.657 1.570 16.586 1.00 0.00 C ATOM 624 NZ LYS A 41 20.600 2.582 16.033 1.00 0.00 N ATOM 0 H LYS A 41 16.348 0.794 11.207 1.00 0.00 H new ATOM 0 HA LYS A 41 15.511 2.140 13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.376 0.287 13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.353 1.616 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.179 2.801 14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.918 1.733 15.478 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.401 -0.029 15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.567 0.527 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.960 2.057 17.268 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.213 0.835 17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.283 2.858 16.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.109 2.176 15.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.067 3.420 15.723 1.00 0.00 H new ATOM 638 N SER A 42 15.706 3.996 11.557 1.00 0.00 N ATOM 639 CA SER A 42 15.918 5.325 10.994 1.00 0.00 C ATOM 640 C SER A 42 14.652 6.169 11.104 1.00 0.00 C ATOM 641 O SER A 42 13.531 5.670 11.000 1.00 0.00 O ATOM 642 CB SER A 42 16.349 5.219 9.530 1.00 0.00 C ATOM 643 OG SER A 42 17.754 5.069 9.422 1.00 0.00 O ATOM 0 H SER A 42 14.834 3.550 11.270 1.00 0.00 H new ATOM 0 HA SER A 42 16.709 5.812 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.852 4.369 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.033 6.111 8.989 1.00 0.00 H new ATOM 0 HG SER A 42 18.004 5.002 8.477 1.00 0.00 H new ATOM 649 N PRO A 43 14.833 7.481 11.319 1.00 0.00 N ATOM 650 CA PRO A 43 13.718 8.423 11.447 1.00 0.00 C ATOM 651 C PRO A 43 12.988 8.641 10.126 1.00 0.00 C ATOM 652 O PRO A 43 11.759 8.614 10.073 1.00 0.00 O ATOM 653 CB PRO A 43 14.397 9.717 11.903 1.00 0.00 C ATOM 654 CG PRO A 43 15.796 9.607 11.402 1.00 0.00 C ATOM 655 CD PRO A 43 16.141 8.144 11.454 1.00 0.00 C ATOM 0 HA PRO A 43 12.955 8.060 12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.897 10.593 11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.372 9.816 12.988 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.878 9.991 10.385 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.479 10.191 12.019 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.820 7.862 10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.631 7.880 12.391 1.00 0.00 H new ATOM 663 N ASP A 44 13.754 8.857 9.062 1.00 0.00 N ATOM 664 CA ASP A 44 13.180 9.078 7.740 1.00 0.00 C ATOM 665 C ASP A 44 12.145 8.007 7.410 1.00 0.00 C ATOM 666 O ASP A 44 11.079 8.304 6.872 1.00 0.00 O ATOM 667 CB ASP A 44 14.280 9.085 6.677 1.00 0.00 C ATOM 668 CG ASP A 44 15.377 8.081 6.973 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.158 6.876 6.732 1.00 0.00 O ATOM 670 OD2 ASP A 44 16.454 8.500 7.446 1.00 0.00 O ATOM 0 H ASP A 44 14.773 8.884 9.089 1.00 0.00 H new ATOM 0 HA ASP A 44 12.684 10.048 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.842 8.864 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.713 10.083 6.613 1.00 0.00 H new ATOM 675 N ALA A 45 12.467 6.759 7.737 1.00 0.00 N ATOM 676 CA ALA A 45 11.565 5.644 7.477 1.00 0.00 C ATOM 677 C ALA A 45 10.176 5.919 8.041 1.00 0.00 C ATOM 678 O ALA A 45 9.170 5.727 7.359 1.00 0.00 O ATOM 679 CB ALA A 45 12.131 4.360 8.064 1.00 0.00 C ATOM 0 H ALA A 45 13.346 6.495 8.182 1.00 0.00 H new ATOM 0 HA ALA A 45 11.473 5.527 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.447 3.535 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.099 4.148 7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.253 4.475 9.141 1.00 0.00 H new ATOM 685 N GLU A 46 10.128 6.368 9.292 1.00 0.00 N ATOM 686 CA GLU A 46 8.860 6.667 9.947 1.00 0.00 C ATOM 687 C GLU A 46 7.942 7.459 9.020 1.00 0.00 C ATOM 688 O GLU A 46 6.749 7.172 8.918 1.00 0.00 O ATOM 689 CB GLU A 46 9.101 7.454 11.237 1.00 0.00 C ATOM 690 CG GLU A 46 7.858 7.606 12.098 1.00 0.00 C ATOM 691 CD GLU A 46 8.138 8.322 13.405 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.544 7.648 14.375 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.950 9.555 13.459 1.00 0.00 O ATOM 0 H GLU A 46 10.951 6.532 9.871 1.00 0.00 H new ATOM 0 HA GLU A 46 8.374 5.722 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.876 6.955 11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.480 8.444 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.100 8.157 11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.444 6.620 12.310 1.00 0.00 H new ATOM 700 N ALA A 47 8.506 8.456 8.347 1.00 0.00 N ATOM 701 CA ALA A 47 7.740 9.287 7.428 1.00 0.00 C ATOM 702 C ALA A 47 7.295 8.490 6.207 1.00 0.00 C ATOM 703 O ALA A 47 6.170 8.640 5.730 1.00 0.00 O ATOM 704 CB ALA A 47 8.560 10.496 7.001 1.00 0.00 C ATOM 0 H ALA A 47 9.492 8.708 8.421 1.00 0.00 H new ATOM 0 HA ALA A 47 6.847 9.632 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.975 11.108 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.823 11.086 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.470 10.161 6.503 1.00 0.00 H new ATOM 710 N LYS A 48 8.185 7.641 5.704 1.00 0.00 N ATOM 711 CA LYS A 48 7.885 6.819 4.538 1.00 0.00 C ATOM 712 C LYS A 48 6.609 6.012 4.755 1.00 0.00 C ATOM 713 O LYS A 48 5.656 6.118 3.982 1.00 0.00 O ATOM 714 CB LYS A 48 9.052 5.875 4.239 1.00 0.00 C ATOM 715 CG LYS A 48 10.228 6.558 3.562 1.00 0.00 C ATOM 716 CD LYS A 48 10.136 6.456 2.049 1.00 0.00 C ATOM 717 CE LYS A 48 9.405 7.650 1.453 1.00 0.00 C ATOM 718 NZ LYS A 48 10.068 8.937 1.804 1.00 0.00 N ATOM 0 H LYS A 48 9.121 7.504 6.086 1.00 0.00 H new ATOM 0 HA LYS A 48 7.735 7.483 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.392 5.424 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.698 5.064 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.259 7.607 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.159 6.104 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.139 6.394 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.617 5.537 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.364 7.546 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.376 7.662 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.177 9.516 0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.486 9.450 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.005 8.745 2.213 1.00 0.00 H new ATOM 732 N PHE A 49 6.596 5.207 5.812 1.00 0.00 N ATOM 733 CA PHE A 49 5.436 4.382 6.132 1.00 0.00 C ATOM 734 C PHE A 49 4.181 5.239 6.268 1.00 0.00 C ATOM 735 O PHE A 49 3.074 4.790 5.968 1.00 0.00 O ATOM 736 CB PHE A 49 5.678 3.603 7.426 1.00 0.00 C ATOM 737 CG PHE A 49 4.521 2.733 7.827 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.338 1.490 7.245 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.618 3.159 8.788 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.273 0.688 7.612 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.552 2.362 9.159 1.00 0.00 C ATOM 742 CZ PHE A 49 2.380 1.124 8.571 1.00 0.00 C ATOM 0 H PHE A 49 7.376 5.108 6.462 1.00 0.00 H new ATOM 0 HA PHE A 49 5.287 3.676 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.565 2.981 7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.889 4.307 8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.035 1.143 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.749 4.125 9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.140 -0.279 7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.854 2.707 9.908 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.549 0.498 8.861 1.00 0.00 H new ATOM 752 N ARG A 50 4.362 6.475 6.723 1.00 0.00 N ATOM 753 CA ARG A 50 3.245 7.395 6.901 1.00 0.00 C ATOM 754 C ARG A 50 2.514 7.625 5.581 1.00 0.00 C ATOM 755 O ARG A 50 1.349 8.019 5.567 1.00 0.00 O ATOM 756 CB ARG A 50 3.739 8.729 7.462 1.00 0.00 C ATOM 757 CG ARG A 50 2.646 9.559 8.114 1.00 0.00 C ATOM 758 CD ARG A 50 2.358 9.086 9.531 1.00 0.00 C ATOM 759 NE ARG A 50 1.383 9.939 10.205 1.00 0.00 N ATOM 760 CZ ARG A 50 1.666 11.148 10.678 1.00 0.00 C ATOM 761 NH1 ARG A 50 2.890 11.643 10.551 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.725 11.864 11.279 1.00 0.00 N ATOM 0 H ARG A 50 5.271 6.862 6.975 1.00 0.00 H new ATOM 0 HA ARG A 50 2.548 6.947 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.523 8.537 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.190 9.307 6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.946 10.607 8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.736 9.498 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.986 8.062 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.285 9.072 10.104 1.00 0.00 H new ATOM 0 HE ARG A 50 0.432 9.587 10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.616 11.095 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.105 12.571 10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.217 11.487 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.944 12.792 11.642 1.00 0.00 H new ATOM 776 N GLU A 51 3.208 7.376 4.475 1.00 0.00 N ATOM 777 CA GLU A 51 2.625 7.558 3.151 1.00 0.00 C ATOM 778 C GLU A 51 2.148 6.226 2.579 1.00 0.00 C ATOM 779 O GLU A 51 1.183 6.176 1.816 1.00 0.00 O ATOM 780 CB GLU A 51 3.643 8.197 2.204 1.00 0.00 C ATOM 781 CG GLU A 51 3.759 9.704 2.362 1.00 0.00 C ATOM 782 CD GLU A 51 2.410 10.378 2.528 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.571 10.257 1.611 1.00 0.00 O ATOM 784 OE2 GLU A 51 2.195 11.026 3.573 1.00 0.00 O ATOM 0 H GLU A 51 4.174 7.048 4.470 1.00 0.00 H new ATOM 0 HA GLU A 51 1.765 8.221 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.620 7.746 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.363 7.968 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.382 9.928 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.264 10.119 1.490 1.00 0.00 H new ATOM 791 N ILE A 52 2.832 5.150 2.953 1.00 0.00 N ATOM 792 CA ILE A 52 2.479 3.818 2.477 1.00 0.00 C ATOM 793 C ILE A 52 1.180 3.334 3.113 1.00 0.00 C ATOM 794 O ILE A 52 0.297 2.816 2.429 1.00 0.00 O ATOM 795 CB ILE A 52 3.594 2.799 2.777 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.967 3.420 2.512 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.404 1.544 1.938 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.068 2.399 2.330 1.00 0.00 C ATOM 0 H ILE A 52 3.633 5.174 3.584 1.00 0.00 H new ATOM 0 HA ILE A 52 2.347 3.893 1.398 1.00 0.00 H new ATOM 0 HB ILE A 52 3.539 2.521 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.909 4.042 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.226 4.077 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.200 0.833 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.439 1.093 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.437 1.805 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.012 2.911 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.154 1.792 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.832 1.757 1.481 1.00 0.00 H new ATOM 810 N ALA A 53 1.069 3.508 4.426 1.00 0.00 N ATOM 811 CA ALA A 53 -0.123 3.093 5.154 1.00 0.00 C ATOM 812 C ALA A 53 -1.361 3.819 4.639 1.00 0.00 C ATOM 813 O ALA A 53 -2.306 3.192 4.161 1.00 0.00 O ATOM 814 CB ALA A 53 0.055 3.342 6.644 1.00 0.00 C ATOM 0 H ALA A 53 1.791 3.934 5.007 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.265 2.025 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.843 3.027 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.910 2.773 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.226 4.404 6.817 1.00 0.00 H new ATOM 820 N GLU A 54 -1.350 5.145 4.740 1.00 0.00 N ATOM 821 CA GLU A 54 -2.473 5.955 4.285 1.00 0.00 C ATOM 822 C GLU A 54 -2.898 5.554 2.875 1.00 0.00 C ATOM 823 O GLU A 54 -4.077 5.613 2.530 1.00 0.00 O ATOM 824 CB GLU A 54 -2.106 7.440 4.316 1.00 0.00 C ATOM 825 CG GLU A 54 -3.246 8.358 3.910 1.00 0.00 C ATOM 826 CD GLU A 54 -2.945 9.819 4.183 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.006 10.357 3.559 1.00 0.00 O ATOM 828 OE2 GLU A 54 -3.647 10.424 5.019 1.00 0.00 O ATOM 0 H GLU A 54 -0.576 5.680 5.133 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.310 5.781 4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.779 7.704 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.259 7.610 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.453 8.226 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.149 8.070 4.449 1.00 0.00 H new ATOM 835 N ALA A 55 -1.926 5.147 2.065 1.00 0.00 N ATOM 836 CA ALA A 55 -2.198 4.735 0.693 1.00 0.00 C ATOM 837 C ALA A 55 -2.990 3.432 0.658 1.00 0.00 C ATOM 838 O ALA A 55 -3.869 3.251 -0.185 1.00 0.00 O ATOM 839 CB ALA A 55 -0.897 4.585 -0.081 1.00 0.00 C ATOM 0 H ALA A 55 -0.944 5.094 2.335 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.802 5.510 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.115 4.277 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.369 5.539 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.273 3.832 0.399 1.00 0.00 H new ATOM 845 N TYR A 56 -2.673 2.528 1.578 1.00 0.00 N ATOM 846 CA TYR A 56 -3.353 1.240 1.650 1.00 0.00 C ATOM 847 C TYR A 56 -4.737 1.389 2.275 1.00 0.00 C ATOM 848 O TYR A 56 -5.723 0.867 1.756 1.00 0.00 O ATOM 849 CB TYR A 56 -2.520 0.244 2.458 1.00 0.00 C ATOM 850 CG TYR A 56 -3.295 -0.978 2.897 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.391 -2.095 2.077 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.932 -1.014 4.132 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.099 -3.213 2.474 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.640 -2.129 4.537 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.721 -3.226 3.705 1.00 0.00 C ATOM 856 OH TYR A 56 -5.427 -4.337 4.104 1.00 0.00 O ATOM 0 H TYR A 56 -1.950 2.663 2.284 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.472 0.863 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.667 -0.073 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.121 0.747 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.904 -2.089 1.113 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.872 -0.156 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.165 -4.073 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.128 -2.142 5.501 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.802 -4.183 4.996 1.00 0.00 H new ATOM 866 N GLU A 57 -4.799 2.105 3.393 1.00 0.00 N ATOM 867 CA GLU A 57 -6.062 2.323 4.090 1.00 0.00 C ATOM 868 C GLU A 57 -7.199 2.546 3.098 1.00 0.00 C ATOM 869 O GLU A 57 -8.251 1.911 3.187 1.00 0.00 O ATOM 870 CB GLU A 57 -5.949 3.523 5.032 1.00 0.00 C ATOM 871 CG GLU A 57 -4.944 3.324 6.154 1.00 0.00 C ATOM 872 CD GLU A 57 -5.428 2.343 7.204 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.330 1.537 6.893 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.905 2.382 8.337 1.00 0.00 O ATOM 0 H GLU A 57 -3.991 2.543 3.835 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.284 1.431 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.666 4.403 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.928 3.728 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.003 2.967 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.738 4.284 6.627 1.00 0.00 H new ATOM 881 N THR A 58 -6.982 3.455 2.151 1.00 0.00 N ATOM 882 CA THR A 58 -7.988 3.764 1.143 1.00 0.00 C ATOM 883 C THR A 58 -8.219 2.578 0.214 1.00 0.00 C ATOM 884 O THR A 58 -9.358 2.177 -0.026 1.00 0.00 O ATOM 885 CB THR A 58 -7.582 4.989 0.302 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.239 6.082 1.162 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.711 5.404 -0.629 1.00 0.00 C ATOM 0 H THR A 58 -6.118 3.990 2.062 1.00 0.00 H new ATOM 0 HA THR A 58 -8.911 3.988 1.677 1.00 0.00 H new ATOM 0 HB THR A 58 -6.716 4.717 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.598 6.668 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.401 6.271 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.949 4.580 -1.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.593 5.659 -0.041 1.00 0.00 H new ATOM 895 N LEU A 59 -7.131 2.020 -0.306 1.00 0.00 N ATOM 896 CA LEU A 59 -7.215 0.877 -1.209 1.00 0.00 C ATOM 897 C LEU A 59 -7.481 -0.410 -0.435 1.00 0.00 C ATOM 898 O LEU A 59 -7.477 -1.501 -1.005 1.00 0.00 O ATOM 899 CB LEU A 59 -5.922 0.743 -2.015 1.00 0.00 C ATOM 900 CG LEU A 59 -5.470 1.992 -2.772 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.135 1.748 -3.457 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.524 2.410 -3.788 1.00 0.00 C ATOM 0 H LEU A 59 -6.181 2.340 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.047 1.046 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.123 0.446 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.048 -0.067 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.343 2.802 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.830 2.648 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.383 1.497 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.234 0.924 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.186 3.301 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.682 1.601 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.460 2.628 -3.273 1.00 0.00 H new ATOM 914 N SER A 60 -7.715 -0.275 0.866 1.00 0.00 N ATOM 915 CA SER A 60 -7.982 -1.427 1.719 1.00 0.00 C ATOM 916 C SER A 60 -9.483 -1.664 1.857 1.00 0.00 C ATOM 917 O SER A 60 -9.963 -2.786 1.695 1.00 0.00 O ATOM 918 CB SER A 60 -7.357 -1.222 3.100 1.00 0.00 C ATOM 919 OG SER A 60 -7.794 -2.216 4.011 1.00 0.00 O ATOM 0 H SER A 60 -7.725 0.621 1.353 1.00 0.00 H new ATOM 0 HA SER A 60 -7.534 -2.305 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.270 -1.251 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.622 -0.235 3.479 1.00 0.00 H new ATOM 0 HG SER A 60 -7.040 -2.795 4.250 1.00 0.00 H new ATOM 925 N ASP A 61 -10.218 -0.600 2.159 1.00 0.00 N ATOM 926 CA ASP A 61 -11.665 -0.690 2.319 1.00 0.00 C ATOM 927 C ASP A 61 -12.358 -0.757 0.962 1.00 0.00 C ATOM 928 O ASP A 61 -11.777 -0.398 -0.061 1.00 0.00 O ATOM 929 CB ASP A 61 -12.187 0.508 3.114 1.00 0.00 C ATOM 930 CG ASP A 61 -12.210 0.247 4.607 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.164 -0.160 5.155 1.00 0.00 O ATOM 932 OD2 ASP A 61 -13.274 0.449 5.228 1.00 0.00 O ATOM 0 H ASP A 61 -9.836 0.335 2.298 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.889 -1.605 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.561 1.376 2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.194 0.754 2.776 1.00 0.00 H new ATOM 937 N ALA A 62 -13.604 -1.221 0.963 1.00 0.00 N ATOM 938 CA ALA A 62 -14.377 -1.334 -0.268 1.00 0.00 C ATOM 939 C ALA A 62 -14.835 0.036 -0.757 1.00 0.00 C ATOM 940 O ALA A 62 -14.331 0.549 -1.755 1.00 0.00 O ATOM 941 CB ALA A 62 -15.574 -2.249 -0.057 1.00 0.00 C ATOM 0 H ALA A 62 -14.099 -1.524 1.802 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.733 -1.767 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.142 -2.324 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.227 -3.240 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.211 -1.840 0.727 1.00 0.00 H new ATOM 947 N ASN A 63 -15.794 0.622 -0.048 1.00 0.00 N ATOM 948 CA ASN A 63 -16.321 1.932 -0.411 1.00 0.00 C ATOM 949 C ASN A 63 -15.189 2.927 -0.650 1.00 0.00 C ATOM 950 O ASN A 63 -15.198 3.669 -1.632 1.00 0.00 O ATOM 951 CB ASN A 63 -17.250 2.454 0.687 1.00 0.00 C ATOM 952 CG ASN A 63 -18.199 1.387 1.197 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.910 0.751 0.419 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.214 1.187 2.509 1.00 0.00 N ATOM 0 H ASN A 63 -16.222 0.210 0.781 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.888 1.824 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.652 2.831 1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.826 3.295 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.833 0.482 2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.607 1.738 3.116 1.00 0.00 H new ATOM 961 N ARG A 64 -14.215 2.934 0.254 1.00 0.00 N ATOM 962 CA ARG A 64 -13.075 3.837 0.142 1.00 0.00 C ATOM 963 C ARG A 64 -12.338 3.622 -1.177 1.00 0.00 C ATOM 964 O ARG A 64 -12.166 4.553 -1.963 1.00 0.00 O ATOM 965 CB ARG A 64 -12.116 3.630 1.315 1.00 0.00 C ATOM 966 CG ARG A 64 -12.692 4.054 2.656 1.00 0.00 C ATOM 967 CD ARG A 64 -11.624 4.082 3.737 1.00 0.00 C ATOM 968 NE ARG A 64 -11.983 4.972 4.839 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.994 6.296 4.740 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.667 6.882 3.596 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.333 7.038 5.787 1.00 0.00 N ATOM 0 H ARG A 64 -14.192 2.325 1.072 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.450 4.860 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.839 2.577 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.201 4.192 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.143 5.042 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.487 3.366 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.470 3.073 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.678 4.406 3.303 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.239 4.553 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.406 6.315 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.676 7.899 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.585 6.591 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.341 8.055 5.710 1.00 0.00 H new ATOM 985 N ARG A 65 -11.905 2.387 -1.411 1.00 0.00 N ATOM 986 CA ARG A 65 -11.185 2.050 -2.633 1.00 0.00 C ATOM 987 C ARG A 65 -12.054 2.297 -3.863 1.00 0.00 C ATOM 988 O ARG A 65 -11.549 2.610 -4.941 1.00 0.00 O ATOM 989 CB ARG A 65 -10.735 0.588 -2.598 1.00 0.00 C ATOM 990 CG ARG A 65 -9.910 0.175 -3.806 1.00 0.00 C ATOM 991 CD ARG A 65 -10.790 -0.360 -4.926 1.00 0.00 C ATOM 992 NE ARG A 65 -10.002 -0.893 -6.033 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.528 -1.560 -7.055 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.835 -1.774 -7.109 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.745 -2.015 -8.025 1.00 0.00 N ATOM 0 H ARG A 65 -12.040 1.604 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.307 2.692 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.150 0.418 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.615 -0.053 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.339 1.030 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.189 -0.588 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.440 -1.142 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.436 0.438 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.993 -0.746 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.440 -1.426 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.236 -2.286 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.739 -1.853 -7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.149 -2.527 -8.809 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.364 2.153 -3.693 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.305 2.361 -4.787 1.00 0.00 C ATOM 1011 C LYS A 66 -14.374 3.835 -5.173 1.00 0.00 C ATOM 1012 O LYS A 66 -14.289 4.181 -6.351 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.697 1.861 -4.392 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.720 1.964 -5.510 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.921 1.069 -5.251 1.00 0.00 C ATOM 1016 CE LYS A 66 -17.656 -0.361 -5.695 1.00 0.00 C ATOM 1017 NZ LYS A 66 -18.920 -1.107 -5.947 1.00 0.00 N ATOM 0 H LYS A 66 -13.798 1.893 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.952 1.794 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.623 0.821 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.050 2.434 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.050 2.998 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.256 1.686 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.164 1.082 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.789 1.461 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.052 -0.353 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.076 -0.877 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.696 -2.077 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.486 -1.136 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.462 -0.629 -6.695 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.527 4.698 -4.173 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.606 6.134 -4.410 1.00 0.00 C ATOM 1033 C GLU A 67 -13.275 6.675 -4.924 1.00 0.00 C ATOM 1034 O GLU A 67 -13.227 7.390 -5.925 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.003 6.864 -3.125 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.355 6.438 -2.576 1.00 0.00 C ATOM 1037 CD GLU A 67 -17.058 7.553 -1.826 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.399 8.222 -1.003 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -18.267 7.756 -2.063 1.00 0.00 O ATOM 0 H GLU A 67 -14.599 4.427 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.368 6.309 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.240 6.688 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.020 7.937 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.988 6.103 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.220 5.586 -1.910 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.195 6.329 -4.231 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.863 6.782 -4.614 1.00 0.00 C ATOM 1048 C TYR A 68 -10.553 6.399 -6.058 1.00 0.00 C ATOM 1049 O TYR A 68 -9.627 6.934 -6.668 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.810 6.185 -3.679 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.428 6.766 -3.874 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.586 6.288 -4.870 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.965 7.795 -3.063 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.322 6.815 -5.051 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.703 8.330 -3.238 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.885 7.836 -4.233 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.628 8.365 -4.411 1.00 0.00 O ATOM 0 H TYR A 68 -12.216 5.736 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.838 7.869 -4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.120 6.346 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.767 5.107 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.926 5.490 -5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.602 8.183 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.679 6.430 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.359 9.130 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.560 9.216 -3.930 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.334 5.471 -6.598 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.145 5.016 -7.971 1.00 0.00 C ATOM 1069 C ASP A 69 -12.122 5.713 -8.913 1.00 0.00 C ATOM 1070 O ASP A 69 -11.748 6.148 -10.003 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.326 3.500 -8.058 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.551 2.890 -9.210 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.468 3.535 -10.275 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -10.030 1.767 -9.045 1.00 0.00 O ATOM 0 H ASP A 69 -12.105 5.018 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.130 5.270 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.001 3.044 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.385 3.269 -8.174 1.00 0.00 H new ATOM 1079 N THR A 70 -13.377 5.814 -8.487 1.00 0.00 N ATOM 1080 CA THR A 70 -14.408 6.456 -9.293 1.00 0.00 C ATOM 1081 C THR A 70 -14.240 7.971 -9.297 1.00 0.00 C ATOM 1082 O THR A 70 -14.793 8.665 -10.151 1.00 0.00 O ATOM 1083 CB THR A 70 -15.819 6.108 -8.780 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.777 6.277 -9.831 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.196 6.987 -7.597 1.00 0.00 C ATOM 0 H THR A 70 -13.704 5.459 -7.588 1.00 0.00 H new ATOM 0 HA THR A 70 -14.295 6.079 -10.309 1.00 0.00 H new ATOM 0 HB THR A 70 -15.818 5.068 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.555 7.078 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.196 6.723 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.481 6.835 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.182 8.033 -7.902 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.473 8.479 -8.339 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.231 9.913 -8.232 1.00 0.00 C ATOM 1095 C LEU A 71 -11.781 10.247 -8.568 1.00 0.00 C ATOM 1096 O LEU A 71 -11.509 11.119 -9.392 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.566 10.404 -6.822 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.990 10.131 -6.338 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.072 10.257 -4.824 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.973 11.081 -7.008 1.00 0.00 C ATOM 0 H LEU A 71 -13.008 7.919 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.877 10.420 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.871 9.940 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.390 11.479 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.257 9.111 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.093 10.059 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.397 9.537 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.785 11.266 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.982 10.872 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.708 12.110 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.934 10.942 -8.088 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.853 9.545 -7.925 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.442 9.780 -8.170 1.00 0.00 C ATOM 1114 C GLY A 72 -8.697 10.197 -6.918 1.00 0.00 C ATOM 1115 O GLY A 72 -9.032 9.764 -5.815 1.00 0.00 O ATOM 0 H GLY A 72 -11.053 8.818 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.991 8.873 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.332 10.555 -8.929 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.682 11.039 -7.087 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.887 11.513 -5.960 1.00 0.00 C ATOM 1121 C HIS A 73 -7.125 13.000 -5.714 1.00 0.00 C ATOM 1122 O HIS A 73 -7.187 13.447 -4.569 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.401 11.258 -6.215 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.521 11.646 -5.067 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.424 10.904 -3.909 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.694 12.706 -4.903 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.576 11.490 -3.082 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.119 12.586 -3.662 1.00 0.00 N ATOM 0 H HIS A 73 -7.391 11.407 -7.993 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.196 10.962 -5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.255 10.200 -6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.093 11.812 -7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.519 13.498 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.303 11.134 -2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.448 13.237 -3.254 1.00 0.00 H new ATOM 1136 N SER A 74 -7.258 13.760 -6.797 1.00 0.00 N ATOM 1137 CA SER A 74 -7.485 15.197 -6.698 1.00 0.00 C ATOM 1138 C SER A 74 -8.946 15.495 -6.375 1.00 0.00 C ATOM 1139 O SER A 74 -9.267 16.537 -5.804 1.00 0.00 O ATOM 1140 CB SER A 74 -7.089 15.888 -8.005 1.00 0.00 C ATOM 1141 OG SER A 74 -7.853 15.397 -9.093 1.00 0.00 O ATOM 0 H SER A 74 -7.212 13.405 -7.752 1.00 0.00 H new ATOM 0 HA SER A 74 -6.866 15.583 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.235 16.964 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.029 15.726 -8.199 1.00 0.00 H new ATOM 0 HG SER A 74 -7.582 15.855 -9.916 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.828 14.571 -6.743 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.254 14.733 -6.491 1.00 0.00 C ATOM 1149 C ALA A 75 -11.656 14.084 -5.171 1.00 0.00 C ATOM 1150 O ALA A 75 -12.088 14.763 -4.240 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.063 14.146 -7.638 1.00 0.00 C ATOM 0 H ALA A 75 -9.579 13.703 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.466 15.800 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.126 14.274 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.805 14.659 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.838 13.084 -7.736 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.510 12.765 -5.098 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.859 12.023 -3.892 1.00 0.00 C ATOM 1159 C PHE A 76 -11.521 12.828 -2.641 1.00 0.00 C ATOM 1160 O PHE A 76 -12.410 13.317 -1.943 1.00 0.00 O ATOM 1161 CB PHE A 76 -11.125 10.681 -3.862 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.130 10.024 -2.512 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -10.121 10.281 -1.598 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.144 9.150 -2.156 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.123 9.678 -0.354 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.152 8.545 -0.914 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.140 8.808 -0.012 1.00 0.00 C ATOM 0 H PHE A 76 -11.153 12.188 -5.860 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.934 11.841 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.585 10.008 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.093 10.833 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.324 10.960 -1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.938 8.939 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.331 9.887 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.949 7.867 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.144 8.335 0.959 1.00 0.00 H new