USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 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 8 SER OG : rot 180:sc= -0.238 USER MOD Set 1.2: A 68 TYR OH : rot 159:sc= 0.995 USER MOD Set 1.3: A 73 HIS : no HD1:sc= 0.355 K(o=1.1,f=-1.1) USER MOD Set 2.1: A 56 TYR OH : rot -91:sc= 0.931 USER MOD Set 2.2: A 60 SER OG : rot 157:sc= 1.38! USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 155:sc= 0.267 USER MOD Single : A 10 TYR OH : rot -115:sc= 0.554 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=-0.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0233 (180deg=-0.243) USER MOD Single : A 29 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= -0.561 (180deg=-1.68) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) 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= -2.95! C(o=-3!,f=-7.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.67! C(o=-2.7!,f=-5.4!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.017 (180deg=-0.199) USER MOD Single : A 42 SER OG : rot -133:sc= -0.561 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.34 (180deg=-1.67!) USER MOD Single : A 63 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.26) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00961) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.789 11.517 -4.865 1.00 0.00 N ATOM 60 CA GLY A 7 1.733 11.505 -5.860 1.00 0.00 C ATOM 61 C GLY A 7 0.482 10.803 -5.370 1.00 0.00 C ATOM 62 O GLY A 7 -0.083 11.173 -4.341 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.486 12.530 -6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.094 11.011 -6.762 1.00 0.00 H new ATOM 66 N SER A 8 0.047 9.787 -6.109 1.00 0.00 N ATOM 67 CA SER A 8 -1.148 9.035 -5.747 1.00 0.00 C ATOM 68 C SER A 8 -0.778 7.732 -5.045 1.00 0.00 C ATOM 69 O SER A 8 0.367 7.285 -5.105 1.00 0.00 O ATOM 70 CB SER A 8 -1.986 8.737 -6.992 1.00 0.00 C ATOM 71 OG SER A 8 -2.673 9.894 -7.434 1.00 0.00 O ATOM 0 H SER A 8 0.505 9.466 -6.962 1.00 0.00 H new ATOM 0 HA SER A 8 -1.736 9.644 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.340 8.367 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.703 7.947 -6.771 1.00 0.00 H new ATOM 0 HG SER A 8 -3.200 9.677 -8.231 1.00 0.00 H new ATOM 77 N TYR A 9 -1.756 7.128 -4.380 1.00 0.00 N ATOM 78 CA TYR A 9 -1.534 5.878 -3.663 1.00 0.00 C ATOM 79 C TYR A 9 -0.927 4.823 -4.583 1.00 0.00 C ATOM 80 O TYR A 9 0.164 4.313 -4.326 1.00 0.00 O ATOM 81 CB TYR A 9 -2.849 5.362 -3.076 1.00 0.00 C ATOM 82 CG TYR A 9 -3.564 6.374 -2.209 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.853 7.331 -1.495 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.949 6.373 -2.104 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.502 8.257 -0.701 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.606 7.296 -1.314 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.878 8.236 -0.614 1.00 0.00 C ATOM 88 OH TYR A 9 -5.529 9.156 0.175 1.00 0.00 O ATOM 0 H TYR A 9 -2.710 7.484 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.833 6.074 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.509 5.064 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.648 4.468 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.775 7.351 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.522 5.638 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.935 8.993 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.684 7.282 -1.245 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.496 9.004 0.125 1.00 0.00 H new ATOM 98 N TYR A 10 -1.641 4.502 -5.656 1.00 0.00 N ATOM 99 CA TYR A 10 -1.174 3.507 -6.615 1.00 0.00 C ATOM 100 C TYR A 10 0.315 3.681 -6.899 1.00 0.00 C ATOM 101 O TYR A 10 1.004 2.728 -7.263 1.00 0.00 O ATOM 102 CB TYR A 10 -1.969 3.611 -7.917 1.00 0.00 C ATOM 103 CG TYR A 10 -3.436 3.282 -7.760 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.846 2.195 -6.998 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.412 4.059 -8.372 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.186 1.890 -6.852 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.754 3.762 -8.230 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.136 2.677 -7.469 1.00 0.00 C ATOM 109 OH TYR A 10 -7.471 2.377 -7.325 1.00 0.00 O ATOM 0 H TYR A 10 -2.545 4.916 -5.884 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.329 2.519 -6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.873 4.622 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.532 2.938 -8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.105 1.578 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.117 4.909 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.488 1.040 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.500 4.376 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.847 2.131 -8.196 1.00 0.00 H new ATOM 119 N ASP A 11 0.804 4.904 -6.729 1.00 0.00 N ATOM 120 CA ASP A 11 2.211 5.205 -6.966 1.00 0.00 C ATOM 121 C ASP A 11 3.039 4.954 -5.709 1.00 0.00 C ATOM 122 O ASP A 11 4.150 4.428 -5.780 1.00 0.00 O ATOM 123 CB ASP A 11 2.376 6.656 -7.418 1.00 0.00 C ATOM 124 CG ASP A 11 2.293 6.806 -8.924 1.00 0.00 C ATOM 125 OD1 ASP A 11 2.628 5.836 -9.636 1.00 0.00 O ATOM 126 OD2 ASP A 11 1.894 7.893 -9.392 1.00 0.00 O ATOM 0 H ASP A 11 0.247 5.704 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 11 2.570 4.544 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.604 7.269 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.337 7.035 -7.070 1.00 0.00 H new ATOM 131 N ILE A 12 2.490 5.334 -4.560 1.00 0.00 N ATOM 132 CA ILE A 12 3.178 5.150 -3.288 1.00 0.00 C ATOM 133 C ILE A 12 3.310 3.670 -2.943 1.00 0.00 C ATOM 134 O ILE A 12 4.385 3.203 -2.565 1.00 0.00 O ATOM 135 CB ILE A 12 2.443 5.869 -2.141 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.297 7.359 -2.455 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.185 5.668 -0.828 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.436 8.105 -1.459 1.00 0.00 C ATOM 0 H ILE A 12 1.571 5.771 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 12 4.171 5.584 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 12 1.446 5.439 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.287 7.815 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.868 7.472 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.653 6.182 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.241 4.603 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.193 6.074 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.377 9.155 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.435 7.675 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.876 8.023 -0.465 1.00 0.00 H new ATOM 150 N LEU A 13 2.211 2.937 -3.079 1.00 0.00 N ATOM 151 CA LEU A 13 2.204 1.508 -2.784 1.00 0.00 C ATOM 152 C LEU A 13 2.903 0.721 -3.887 1.00 0.00 C ATOM 153 O LEU A 13 3.546 -0.296 -3.626 1.00 0.00 O ATOM 154 CB LEU A 13 0.767 1.009 -2.617 1.00 0.00 C ATOM 155 CG LEU A 13 0.036 1.476 -1.359 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.449 1.160 -1.456 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.640 0.832 -0.120 1.00 0.00 C ATOM 0 H LEU A 13 1.314 3.308 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 13 2.747 1.352 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.191 1.325 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.779 -0.081 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 13 0.152 2.557 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.953 1.500 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.874 1.669 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.586 0.084 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.107 1.176 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.556 -0.252 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.691 1.110 -0.041 1.00 0.00 H new ATOM 169 N GLY A 14 2.775 1.199 -5.121 1.00 0.00 N ATOM 170 CA GLY A 14 3.402 0.529 -6.245 1.00 0.00 C ATOM 171 C GLY A 14 2.484 -0.482 -6.903 1.00 0.00 C ATOM 172 O GLY A 14 2.930 -1.540 -7.347 1.00 0.00 O ATOM 0 H GLY A 14 2.248 2.038 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.708 1.272 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.307 0.026 -5.905 1.00 0.00 H new ATOM 176 N VAL A 15 1.197 -0.158 -6.965 1.00 0.00 N ATOM 177 CA VAL A 15 0.213 -1.046 -7.573 1.00 0.00 C ATOM 178 C VAL A 15 -0.541 -0.344 -8.697 1.00 0.00 C ATOM 179 O VAL A 15 -0.692 0.878 -8.708 1.00 0.00 O ATOM 180 CB VAL A 15 -0.800 -1.557 -6.531 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.168 -2.625 -5.651 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.328 -0.404 -5.691 1.00 0.00 C ATOM 0 H VAL A 15 0.811 0.713 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 15 0.762 -1.894 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.642 -2.007 -7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.898 -2.974 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.155 -3.462 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.693 -2.205 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.042 -0.783 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.499 0.078 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.821 0.321 -6.338 1.00 0.00 H new ATOM 192 N PRO A 16 -1.027 -1.133 -9.666 1.00 0.00 N ATOM 193 CA PRO A 16 -1.774 -0.609 -10.813 1.00 0.00 C ATOM 194 C PRO A 16 -3.150 -0.083 -10.417 1.00 0.00 C ATOM 195 O PRO A 16 -3.715 -0.494 -9.404 1.00 0.00 O ATOM 196 CB PRO A 16 -1.911 -1.825 -11.733 1.00 0.00 C ATOM 197 CG PRO A 16 -1.821 -3.001 -10.822 1.00 0.00 C ATOM 198 CD PRO A 16 -0.884 -2.598 -9.717 1.00 0.00 C ATOM 0 HA PRO A 16 -1.268 0.238 -11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.860 -1.811 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.121 -1.844 -12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.802 -3.264 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.446 -3.877 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.157 -3.062 -8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.143 -2.894 -9.932 1.00 0.00 H new ATOM 206 N LYS A 17 -3.684 0.827 -11.224 1.00 0.00 N ATOM 207 CA LYS A 17 -4.995 1.409 -10.959 1.00 0.00 C ATOM 208 C LYS A 17 -6.070 0.328 -10.909 1.00 0.00 C ATOM 209 O LYS A 17 -7.133 0.523 -10.320 1.00 0.00 O ATOM 210 CB LYS A 17 -5.344 2.441 -12.034 1.00 0.00 C ATOM 211 CG LYS A 17 -4.325 3.560 -12.157 1.00 0.00 C ATOM 212 CD LYS A 17 -4.438 4.274 -13.494 1.00 0.00 C ATOM 213 CE LYS A 17 -3.358 5.332 -13.654 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.785 6.428 -14.568 1.00 0.00 N ATOM 0 H LYS A 17 -3.230 1.178 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.956 1.903 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.434 1.935 -12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.319 2.872 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.470 4.276 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.320 3.152 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.360 3.548 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.420 4.740 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.111 5.749 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.451 4.869 -14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.021 7.129 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.996 6.034 -15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.636 6.887 -14.185 1.00 0.00 H new ATOM 228 N SER A 18 -5.785 -0.812 -11.530 1.00 0.00 N ATOM 229 CA SER A 18 -6.729 -1.924 -11.558 1.00 0.00 C ATOM 230 C SER A 18 -6.233 -3.079 -10.693 1.00 0.00 C ATOM 231 O SER A 18 -6.683 -4.215 -10.839 1.00 0.00 O ATOM 232 CB SER A 18 -6.943 -2.403 -12.995 1.00 0.00 C ATOM 233 OG SER A 18 -8.231 -2.971 -13.156 1.00 0.00 O ATOM 0 H SER A 18 -4.909 -0.990 -12.020 1.00 0.00 H new ATOM 0 HA SER A 18 -7.679 -1.573 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.823 -1.566 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.182 -3.140 -13.253 1.00 0.00 H new ATOM 0 HG SER A 18 -8.344 -3.268 -14.083 1.00 0.00 H new ATOM 239 N ALA A 19 -5.303 -2.779 -9.792 1.00 0.00 N ATOM 240 CA ALA A 19 -4.747 -3.791 -8.903 1.00 0.00 C ATOM 241 C ALA A 19 -5.843 -4.462 -8.082 1.00 0.00 C ATOM 242 O ALA A 19 -6.747 -3.798 -7.576 1.00 0.00 O ATOM 243 CB ALA A 19 -3.703 -3.171 -7.986 1.00 0.00 C ATOM 0 H ALA A 19 -4.919 -1.843 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.269 -4.555 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.296 -3.938 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.899 -2.744 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.165 -2.386 -7.387 1.00 0.00 H new ATOM 249 N SER A 20 -5.756 -5.782 -7.954 1.00 0.00 N ATOM 250 CA SER A 20 -6.743 -6.544 -7.198 1.00 0.00 C ATOM 251 C SER A 20 -6.436 -6.499 -5.704 1.00 0.00 C ATOM 252 O SER A 20 -5.281 -6.367 -5.301 1.00 0.00 O ATOM 253 CB SER A 20 -6.776 -7.996 -7.680 1.00 0.00 C ATOM 254 OG SER A 20 -8.013 -8.610 -7.362 1.00 0.00 O ATOM 0 H SER A 20 -5.012 -6.346 -8.364 1.00 0.00 H new ATOM 0 HA SER A 20 -7.720 -6.091 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.617 -8.029 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.960 -8.554 -7.220 1.00 0.00 H new ATOM 0 HG SER A 20 -8.010 -9.536 -7.682 1.00 0.00 H new ATOM 260 N GLU A 21 -7.480 -6.610 -4.888 1.00 0.00 N ATOM 261 CA GLU A 21 -7.322 -6.580 -3.439 1.00 0.00 C ATOM 262 C GLU A 21 -6.015 -7.247 -3.020 1.00 0.00 C ATOM 263 O GLU A 21 -5.216 -6.665 -2.286 1.00 0.00 O ATOM 264 CB GLU A 21 -8.503 -7.278 -2.761 1.00 0.00 C ATOM 265 CG GLU A 21 -8.526 -7.107 -1.251 1.00 0.00 C ATOM 266 CD GLU A 21 -9.584 -7.964 -0.583 1.00 0.00 C ATOM 267 OE1 GLU A 21 -9.428 -9.203 -0.582 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.566 -7.397 -0.062 1.00 0.00 O ATOM 0 H GLU A 21 -8.443 -6.721 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.295 -5.537 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.432 -6.888 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.470 -8.342 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.547 -7.363 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.707 -6.059 -1.010 1.00 0.00 H new ATOM 275 N ARG A 22 -5.804 -8.471 -3.492 1.00 0.00 N ATOM 276 CA ARG A 22 -4.595 -9.219 -3.166 1.00 0.00 C ATOM 277 C ARG A 22 -3.348 -8.419 -3.529 1.00 0.00 C ATOM 278 O ARG A 22 -2.399 -8.344 -2.749 1.00 0.00 O ATOM 279 CB ARG A 22 -4.586 -10.560 -3.901 1.00 0.00 C ATOM 280 CG ARG A 22 -4.711 -10.429 -5.410 1.00 0.00 C ATOM 281 CD ARG A 22 -5.106 -11.750 -6.053 1.00 0.00 C ATOM 282 NE ARG A 22 -6.551 -11.955 -6.041 1.00 0.00 N ATOM 283 CZ ARG A 22 -7.130 -13.127 -6.274 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.389 -14.195 -6.536 1.00 0.00 N ATOM 285 NH2 ARG A 22 -8.452 -13.234 -6.245 1.00 0.00 N ATOM 0 H ARG A 22 -6.455 -8.966 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.589 -9.402 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.661 -11.087 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.406 -11.174 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.455 -9.669 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.763 -10.089 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.745 -11.775 -7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.619 -12.570 -5.525 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.149 -11.153 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.372 -14.117 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.836 -15.094 -6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.026 -12.415 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.895 -14.135 -6.424 1.00 0.00 H new ATOM 299 N GLN A 23 -3.357 -7.825 -4.718 1.00 0.00 N ATOM 300 CA GLN A 23 -2.225 -7.033 -5.184 1.00 0.00 C ATOM 301 C GLN A 23 -1.943 -5.874 -4.233 1.00 0.00 C ATOM 302 O GLN A 23 -0.789 -5.596 -3.904 1.00 0.00 O ATOM 303 CB GLN A 23 -2.495 -6.498 -6.592 1.00 0.00 C ATOM 304 CG GLN A 23 -2.597 -7.587 -7.647 1.00 0.00 C ATOM 305 CD GLN A 23 -1.254 -7.936 -8.258 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.387 -8.507 -7.596 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.074 -7.593 -9.528 1.00 0.00 N ATOM 0 H GLN A 23 -4.135 -7.877 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.348 -7.680 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.422 -5.925 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.697 -5.809 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.032 -8.481 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.277 -7.262 -8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.820 -7.121 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.190 -7.802 -9.992 1.00 0.00 H new ATOM 316 N ILE A 24 -3.003 -5.203 -3.796 1.00 0.00 N ATOM 317 CA ILE A 24 -2.868 -4.075 -2.882 1.00 0.00 C ATOM 318 C ILE A 24 -2.313 -4.523 -1.534 1.00 0.00 C ATOM 319 O ILE A 24 -1.312 -3.991 -1.055 1.00 0.00 O ATOM 320 CB ILE A 24 -4.218 -3.367 -2.659 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.776 -2.857 -3.989 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.058 -2.221 -1.671 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.283 -2.722 -4.000 1.00 0.00 C ATOM 0 H ILE A 24 -3.964 -5.420 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.172 -3.375 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.924 -4.085 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.331 -1.888 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.474 -3.538 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.020 -1.731 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.699 -2.610 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.340 -1.501 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.608 -2.356 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.737 -3.694 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.591 -2.019 -3.226 1.00 0.00 H new ATOM 335 N LYS A 25 -2.969 -5.506 -0.928 1.00 0.00 N ATOM 336 CA LYS A 25 -2.541 -6.030 0.364 1.00 0.00 C ATOM 337 C LYS A 25 -1.103 -6.534 0.297 1.00 0.00 C ATOM 338 O LYS A 25 -0.288 -6.235 1.169 1.00 0.00 O ATOM 339 CB LYS A 25 -3.470 -7.161 0.812 1.00 0.00 C ATOM 340 CG LYS A 25 -4.663 -6.684 1.621 1.00 0.00 C ATOM 341 CD LYS A 25 -5.842 -7.634 1.489 1.00 0.00 C ATOM 342 CE LYS A 25 -5.727 -8.803 2.454 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.564 -9.959 2.028 1.00 0.00 N ATOM 0 H LYS A 25 -3.800 -5.957 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.589 -5.220 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.829 -7.695 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.900 -7.874 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.381 -6.596 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.957 -5.689 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.769 -7.093 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.896 -8.009 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.685 -9.115 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.031 -8.482 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.458 -10.735 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.562 -9.668 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.258 -10.282 1.088 1.00 0.00 H new ATOM 357 N LYS A 26 -0.798 -7.301 -0.745 1.00 0.00 N ATOM 358 CA LYS A 26 0.542 -7.845 -0.928 1.00 0.00 C ATOM 359 C LYS A 26 1.552 -6.730 -1.181 1.00 0.00 C ATOM 360 O LYS A 26 2.644 -6.728 -0.612 1.00 0.00 O ATOM 361 CB LYS A 26 0.558 -8.836 -2.094 1.00 0.00 C ATOM 362 CG LYS A 26 0.124 -10.239 -1.705 1.00 0.00 C ATOM 363 CD LYS A 26 1.195 -10.948 -0.893 1.00 0.00 C ATOM 364 CE LYS A 26 0.868 -12.422 -0.707 1.00 0.00 C ATOM 365 NZ LYS A 26 0.954 -13.175 -1.988 1.00 0.00 N ATOM 0 H LYS A 26 -1.461 -7.560 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 26 0.823 -8.366 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.098 -8.467 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.564 -8.878 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.799 -10.188 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.094 -10.816 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.158 -10.848 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.291 -10.469 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.556 -12.858 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.136 -12.522 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.995 -14.195 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.116 -12.969 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.811 -12.888 -2.502 1.00 0.00 H new ATOM 379 N ALA A 27 1.180 -5.784 -2.037 1.00 0.00 N ATOM 380 CA ALA A 27 2.052 -4.662 -2.362 1.00 0.00 C ATOM 381 C ALA A 27 2.321 -3.801 -1.133 1.00 0.00 C ATOM 382 O ALA A 27 3.419 -3.272 -0.961 1.00 0.00 O ATOM 383 CB ALA A 27 1.440 -3.822 -3.473 1.00 0.00 C ATOM 0 H ALA A 27 0.281 -5.772 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 27 3.005 -5.063 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.102 -2.988 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.306 -4.437 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.473 -3.438 -3.148 1.00 0.00 H new ATOM 389 N PHE A 28 1.311 -3.664 -0.280 1.00 0.00 N ATOM 390 CA PHE A 28 1.438 -2.865 0.933 1.00 0.00 C ATOM 391 C PHE A 28 2.250 -3.607 1.991 1.00 0.00 C ATOM 392 O PHE A 28 3.252 -3.096 2.492 1.00 0.00 O ATOM 393 CB PHE A 28 0.054 -2.517 1.487 1.00 0.00 C ATOM 394 CG PHE A 28 0.101 -1.717 2.757 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.032 -0.703 2.919 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.785 -1.978 3.790 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.078 0.036 4.086 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.744 -1.243 4.959 1.00 0.00 C ATOM 399 CZ PHE A 28 0.189 -0.235 5.108 1.00 0.00 C ATOM 0 H PHE A 28 0.396 -4.096 -0.407 1.00 0.00 H new ATOM 0 HA PHE A 28 1.962 -1.944 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.500 -1.956 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.499 -3.439 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.730 -0.488 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.516 -2.765 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.808 0.824 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.441 -1.456 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.223 0.340 6.022 1.00 0.00 H new ATOM 409 N HIS A 29 1.809 -4.816 2.326 1.00 0.00 N ATOM 410 CA HIS A 29 2.495 -5.630 3.323 1.00 0.00 C ATOM 411 C HIS A 29 4.006 -5.575 3.124 1.00 0.00 C ATOM 412 O HIS A 29 4.736 -5.056 3.969 1.00 0.00 O ATOM 413 CB HIS A 29 2.011 -7.078 3.250 1.00 0.00 C ATOM 414 CG HIS A 29 0.831 -7.361 4.129 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.516 -8.625 4.581 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.110 -6.534 4.640 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.570 -8.563 5.331 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.970 -7.305 5.383 1.00 0.00 N ATOM 0 H HIS A 29 0.981 -5.253 1.922 1.00 0.00 H new ATOM 0 HA HIS A 29 2.262 -5.226 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.750 -7.313 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.830 -7.741 3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.173 -5.466 4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.049 -9.399 5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.785 -6.962 5.892 1.00 0.00 H new ATOM 426 N LYS A 30 4.470 -6.115 2.002 1.00 0.00 N ATOM 427 CA LYS A 30 5.895 -6.128 1.690 1.00 0.00 C ATOM 428 C LYS A 30 6.527 -4.770 1.978 1.00 0.00 C ATOM 429 O LYS A 30 7.550 -4.681 2.658 1.00 0.00 O ATOM 430 CB LYS A 30 6.113 -6.504 0.223 1.00 0.00 C ATOM 431 CG LYS A 30 5.974 -5.331 -0.732 1.00 0.00 C ATOM 432 CD LYS A 30 6.207 -5.756 -2.173 1.00 0.00 C ATOM 433 CE LYS A 30 5.347 -6.953 -2.547 1.00 0.00 C ATOM 434 NZ LYS A 30 6.040 -8.242 -2.269 1.00 0.00 N ATOM 0 H LYS A 30 3.880 -6.550 1.293 1.00 0.00 H new ATOM 0 HA LYS A 30 6.374 -6.874 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.107 -6.937 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.396 -7.276 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.978 -4.898 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.688 -4.553 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.983 -4.923 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.259 -6.004 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.411 -6.916 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.090 -6.899 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.141 -8.780 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.982 -8.051 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.482 -8.796 -1.588 1.00 0.00 H new ATOM 448 N LEU A 31 5.911 -3.714 1.458 1.00 0.00 N ATOM 449 CA LEU A 31 6.412 -2.359 1.660 1.00 0.00 C ATOM 450 C LEU A 31 6.561 -2.049 3.146 1.00 0.00 C ATOM 451 O LEU A 31 7.664 -1.798 3.630 1.00 0.00 O ATOM 452 CB LEU A 31 5.473 -1.343 1.007 1.00 0.00 C ATOM 453 CG LEU A 31 5.536 -1.255 -0.519 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.331 -0.502 -1.060 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.829 -0.584 -0.961 1.00 0.00 C ATOM 0 H LEU A 31 5.064 -3.770 0.893 1.00 0.00 H new ATOM 0 HA LEU A 31 7.394 -2.289 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.450 -1.586 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.694 -0.358 1.417 1.00 0.00 H new ATOM 0 HG LEU A 31 5.518 -2.267 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.393 -0.449 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.418 -1.023 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.318 0.507 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.857 -0.530 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.877 0.423 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.680 -1.164 -0.604 1.00 0.00 H new ATOM 467 N ALA A 32 5.443 -2.071 3.864 1.00 0.00 N ATOM 468 CA ALA A 32 5.449 -1.797 5.296 1.00 0.00 C ATOM 469 C ALA A 32 6.687 -2.386 5.962 1.00 0.00 C ATOM 470 O ALA A 32 7.228 -1.812 6.906 1.00 0.00 O ATOM 471 CB ALA A 32 4.187 -2.347 5.943 1.00 0.00 C ATOM 0 H ALA A 32 4.521 -2.276 3.478 1.00 0.00 H new ATOM 0 HA ALA A 32 5.474 -0.716 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.204 -2.136 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.313 -1.875 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.138 -3.425 5.787 1.00 0.00 H new ATOM 477 N MET A 33 7.131 -3.536 5.465 1.00 0.00 N ATOM 478 CA MET A 33 8.307 -4.202 6.013 1.00 0.00 C ATOM 479 C MET A 33 9.572 -3.403 5.716 1.00 0.00 C ATOM 480 O MET A 33 10.386 -3.157 6.607 1.00 0.00 O ATOM 481 CB MET A 33 8.434 -5.614 5.436 1.00 0.00 C ATOM 482 CG MET A 33 7.189 -6.464 5.630 1.00 0.00 C ATOM 483 SD MET A 33 6.644 -6.516 7.348 1.00 0.00 S ATOM 484 CE MET A 33 4.886 -6.785 7.137 1.00 0.00 C ATOM 0 H MET A 33 6.694 -4.026 4.684 1.00 0.00 H new ATOM 0 HA MET A 33 8.186 -4.268 7.094 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.654 -5.544 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.282 -6.114 5.904 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.384 -6.070 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.389 -7.479 5.286 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.406 -6.840 8.114 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.457 -5.960 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.723 -7.719 6.600 1.00 0.00 H new ATOM 494 N LYS A 34 9.731 -3.001 4.460 1.00 0.00 N ATOM 495 CA LYS A 34 10.897 -2.228 4.046 1.00 0.00 C ATOM 496 C LYS A 34 10.929 -0.873 4.746 1.00 0.00 C ATOM 497 O LYS A 34 11.999 -0.337 5.033 1.00 0.00 O ATOM 498 CB LYS A 34 10.890 -2.030 2.528 1.00 0.00 C ATOM 499 CG LYS A 34 12.193 -1.475 1.981 1.00 0.00 C ATOM 500 CD LYS A 34 12.158 -1.357 0.467 1.00 0.00 C ATOM 501 CE LYS A 34 13.037 -0.218 -0.024 1.00 0.00 C ATOM 502 NZ LYS A 34 13.515 -0.446 -1.416 1.00 0.00 N ATOM 0 H LYS A 34 9.067 -3.197 3.711 1.00 0.00 H new ATOM 0 HA LYS A 34 11.790 -2.785 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.681 -2.985 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.077 -1.354 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.384 -0.495 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.018 -2.123 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.491 -2.294 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.132 -1.194 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.478 0.717 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.894 -0.108 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.111 0.353 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.070 -1.325 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.698 -0.525 -2.055 1.00 0.00 H new ATOM 516 N TYR A 35 9.750 -0.326 5.020 1.00 0.00 N ATOM 517 CA TYR A 35 9.643 0.966 5.686 1.00 0.00 C ATOM 518 C TYR A 35 9.026 0.815 7.073 1.00 0.00 C ATOM 519 O TYR A 35 8.490 1.772 7.634 1.00 0.00 O ATOM 520 CB TYR A 35 8.805 1.930 4.844 1.00 0.00 C ATOM 521 CG TYR A 35 9.443 2.291 3.522 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.376 3.317 3.436 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.112 1.608 2.358 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.962 3.652 2.230 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.694 1.934 1.149 1.00 0.00 C ATOM 526 CZ TYR A 35 10.617 2.957 1.090 1.00 0.00 C ATOM 527 OH TYR A 35 11.198 3.286 -0.114 1.00 0.00 O ATOM 0 H TYR A 35 8.855 -0.758 4.791 1.00 0.00 H new ATOM 0 HA TYR A 35 10.648 1.372 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.829 1.481 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.632 2.842 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.648 3.862 4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.387 0.808 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.685 4.453 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.428 1.391 0.254 1.00 0.00 H new ATOM 0 HH TYR A 35 10.847 2.700 -0.817 1.00 0.00 H new ATOM 537 N HIS A 36 9.105 -0.393 7.620 1.00 0.00 N ATOM 538 CA HIS A 36 8.556 -0.671 8.943 1.00 0.00 C ATOM 539 C HIS A 36 9.268 0.153 10.011 1.00 0.00 C ATOM 540 O HIS A 36 10.482 0.061 10.193 1.00 0.00 O ATOM 541 CB HIS A 36 8.676 -2.161 9.266 1.00 0.00 C ATOM 542 CG HIS A 36 7.612 -2.661 10.193 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.142 -1.930 11.263 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.924 -3.826 10.204 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.212 -2.624 11.894 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.060 -3.779 11.271 1.00 0.00 N ATOM 0 H HIS A 36 9.544 -1.195 7.168 1.00 0.00 H new ATOM 0 HA HIS A 36 7.502 -0.392 8.938 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.634 -2.730 8.337 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.653 -2.350 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.034 -4.641 9.504 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.668 -2.302 12.770 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.407 -4.516 11.539 1.00 0.00 H new ATOM 554 N PRO A 37 8.497 0.978 10.735 1.00 0.00 N ATOM 555 CA PRO A 37 9.033 1.834 11.797 1.00 0.00 C ATOM 556 C PRO A 37 9.487 1.034 13.013 1.00 0.00 C ATOM 557 O PRO A 37 9.954 1.600 14.001 1.00 0.00 O ATOM 558 CB PRO A 37 7.848 2.733 12.160 1.00 0.00 C ATOM 559 CG PRO A 37 6.643 1.945 11.777 1.00 0.00 C ATOM 560 CD PRO A 37 7.042 1.139 10.572 1.00 0.00 C ATOM 0 HA PRO A 37 9.917 2.382 11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.843 2.972 13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.890 3.680 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.325 1.296 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.804 2.602 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.532 0.176 10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.796 1.655 9.644 1.00 0.00 H new ATOM 568 N ASP A 38 9.347 -0.285 12.933 1.00 0.00 N ATOM 569 CA ASP A 38 9.745 -1.163 14.027 1.00 0.00 C ATOM 570 C ASP A 38 11.097 -1.809 13.741 1.00 0.00 C ATOM 571 O ASP A 38 11.883 -2.061 14.655 1.00 0.00 O ATOM 572 CB ASP A 38 8.687 -2.245 14.251 1.00 0.00 C ATOM 573 CG ASP A 38 7.539 -1.761 15.116 1.00 0.00 C ATOM 574 OD1 ASP A 38 6.987 -0.682 14.819 1.00 0.00 O ATOM 575 OD2 ASP A 38 7.194 -2.462 16.091 1.00 0.00 O ATOM 0 H ASP A 38 8.961 -0.769 12.122 1.00 0.00 H new ATOM 0 HA ASP A 38 9.834 -0.560 14.930 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.298 -2.574 13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.152 -3.112 14.721 1.00 0.00 H new ATOM 580 N LYS A 39 11.362 -2.076 12.467 1.00 0.00 N ATOM 581 CA LYS A 39 12.619 -2.692 12.059 1.00 0.00 C ATOM 582 C LYS A 39 13.599 -1.642 11.547 1.00 0.00 C ATOM 583 O LYS A 39 14.796 -1.707 11.826 1.00 0.00 O ATOM 584 CB LYS A 39 12.368 -3.742 10.975 1.00 0.00 C ATOM 585 CG LYS A 39 11.097 -4.546 11.189 1.00 0.00 C ATOM 586 CD LYS A 39 11.340 -5.743 12.092 1.00 0.00 C ATOM 587 CE LYS A 39 11.120 -5.390 13.556 1.00 0.00 C ATOM 588 NZ LYS A 39 11.783 -6.365 14.466 1.00 0.00 N ATOM 0 H LYS A 39 10.722 -1.875 11.698 1.00 0.00 H new ATOM 0 HA LYS A 39 13.057 -3.177 12.932 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.315 -3.246 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.217 -4.424 10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.331 -3.907 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.715 -4.887 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.672 -6.556 11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.359 -6.104 11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.507 -4.390 13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.051 -5.365 13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.610 -6.091 15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.396 -7.315 14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.807 -6.371 14.282 1.00 0.00 H new ATOM 602 N ASN A 40 13.084 -0.673 10.798 1.00 0.00 N ATOM 603 CA ASN A 40 13.914 0.393 10.249 1.00 0.00 C ATOM 604 C ASN A 40 14.415 1.318 11.354 1.00 0.00 C ATOM 605 O ASN A 40 13.638 1.785 12.187 1.00 0.00 O ATOM 606 CB ASN A 40 13.127 1.198 9.212 1.00 0.00 C ATOM 607 CG ASN A 40 14.032 1.963 8.266 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.953 2.658 8.697 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.773 1.840 6.970 1.00 0.00 N ATOM 0 H ASN A 40 12.095 -0.604 10.557 1.00 0.00 H new ATOM 0 HA ASN A 40 14.777 -0.065 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.493 0.523 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.467 1.898 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.348 2.332 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.999 1.253 6.658 1.00 0.00 H new ATOM 616 N LYS A 41 15.717 1.579 11.355 1.00 0.00 N ATOM 617 CA LYS A 41 16.323 2.449 12.355 1.00 0.00 C ATOM 618 C LYS A 41 16.711 3.792 11.745 1.00 0.00 C ATOM 619 O LYS A 41 17.868 4.206 11.816 1.00 0.00 O ATOM 620 CB LYS A 41 17.557 1.778 12.965 1.00 0.00 C ATOM 621 CG LYS A 41 17.237 0.526 13.761 1.00 0.00 C ATOM 622 CD LYS A 41 18.500 -0.206 14.182 1.00 0.00 C ATOM 623 CE LYS A 41 19.056 0.345 15.486 1.00 0.00 C ATOM 624 NZ LYS A 41 18.197 -0.010 16.649 1.00 0.00 N ATOM 0 H LYS A 41 16.374 1.200 10.673 1.00 0.00 H new ATOM 0 HA LYS A 41 15.588 2.625 13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.253 1.523 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.064 2.491 13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.659 0.794 14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.614 -0.138 13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.285 -1.268 14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.252 -0.116 13.398 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.062 -0.044 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.141 1.429 15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.749 0.073 17.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.383 0.636 16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.858 -0.988 16.545 1.00 0.00 H new ATOM 638 N SER A 42 15.736 4.469 11.148 1.00 0.00 N ATOM 639 CA SER A 42 15.976 5.765 10.523 1.00 0.00 C ATOM 640 C SER A 42 14.764 6.678 10.682 1.00 0.00 C ATOM 641 O SER A 42 13.614 6.239 10.634 1.00 0.00 O ATOM 642 CB SER A 42 16.304 5.587 9.039 1.00 0.00 C ATOM 643 OG SER A 42 17.158 6.619 8.578 1.00 0.00 O ATOM 0 H SER A 42 14.772 4.142 11.084 1.00 0.00 H new ATOM 0 HA SER A 42 16.826 6.229 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.780 4.619 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.382 5.586 8.457 1.00 0.00 H new ATOM 0 HG SER A 42 16.818 6.970 7.729 1.00 0.00 H new ATOM 649 N PRO A 43 15.025 7.979 10.875 1.00 0.00 N ATOM 650 CA PRO A 43 13.970 8.982 11.045 1.00 0.00 C ATOM 651 C PRO A 43 13.193 9.229 9.756 1.00 0.00 C ATOM 652 O PRO A 43 12.094 9.784 9.779 1.00 0.00 O ATOM 653 CB PRO A 43 14.738 10.240 11.455 1.00 0.00 C ATOM 654 CG PRO A 43 16.104 10.050 10.892 1.00 0.00 C ATOM 655 CD PRO A 43 16.372 8.571 10.943 1.00 0.00 C ATOM 0 HA PRO A 43 13.222 8.667 11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.267 11.139 11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.768 10.350 12.539 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.159 10.421 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.845 10.601 11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.996 8.247 10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.890 8.288 11.859 1.00 0.00 H new ATOM 663 N ASP A 44 13.769 8.813 8.634 1.00 0.00 N ATOM 664 CA ASP A 44 13.130 8.988 7.335 1.00 0.00 C ATOM 665 C ASP A 44 12.093 7.896 7.088 1.00 0.00 C ATOM 666 O ASP A 44 11.059 8.138 6.466 1.00 0.00 O ATOM 667 CB ASP A 44 14.178 8.974 6.221 1.00 0.00 C ATOM 668 CG ASP A 44 15.172 7.840 6.375 1.00 0.00 C ATOM 669 OD1 ASP A 44 14.735 6.671 6.421 1.00 0.00 O ATOM 670 OD2 ASP A 44 16.386 8.121 6.450 1.00 0.00 O ATOM 0 H ASP A 44 14.678 8.352 8.598 1.00 0.00 H new ATOM 0 HA ASP A 44 12.623 9.953 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.678 8.886 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.713 9.924 6.217 1.00 0.00 H new ATOM 675 N ALA A 45 12.378 6.695 7.580 1.00 0.00 N ATOM 676 CA ALA A 45 11.471 5.566 7.413 1.00 0.00 C ATOM 677 C ALA A 45 10.102 5.869 8.015 1.00 0.00 C ATOM 678 O ALA A 45 9.071 5.580 7.410 1.00 0.00 O ATOM 679 CB ALA A 45 12.062 4.315 8.045 1.00 0.00 C ATOM 0 H ALA A 45 13.230 6.479 8.098 1.00 0.00 H new ATOM 0 HA ALA A 45 11.340 5.392 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.374 3.480 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.013 4.080 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.223 4.487 9.109 1.00 0.00 H new ATOM 685 N GLU A 46 10.102 6.452 9.210 1.00 0.00 N ATOM 686 CA GLU A 46 8.860 6.792 9.893 1.00 0.00 C ATOM 687 C GLU A 46 7.922 7.561 8.967 1.00 0.00 C ATOM 688 O GLU A 46 6.716 7.321 8.948 1.00 0.00 O ATOM 689 CB GLU A 46 9.151 7.622 11.145 1.00 0.00 C ATOM 690 CG GLU A 46 7.999 7.653 12.136 1.00 0.00 C ATOM 691 CD GLU A 46 8.357 8.370 13.423 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.328 9.618 13.435 1.00 0.00 O ATOM 693 OE2 GLU A 46 8.665 7.682 14.419 1.00 0.00 O ATOM 0 H GLU A 46 10.948 6.698 9.724 1.00 0.00 H new ATOM 0 HA GLU A 46 8.371 5.863 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.035 7.219 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.390 8.643 10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.142 8.145 11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.694 6.632 12.366 1.00 0.00 H new ATOM 700 N ALA A 47 8.487 8.488 8.199 1.00 0.00 N ATOM 701 CA ALA A 47 7.703 9.292 7.270 1.00 0.00 C ATOM 702 C ALA A 47 7.219 8.453 6.092 1.00 0.00 C ATOM 703 O ALA A 47 6.057 8.535 5.694 1.00 0.00 O ATOM 704 CB ALA A 47 8.522 10.476 6.776 1.00 0.00 C ATOM 0 H ALA A 47 9.485 8.700 8.202 1.00 0.00 H new ATOM 0 HA ALA A 47 6.827 9.666 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.924 11.068 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.814 11.096 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.415 10.114 6.267 1.00 0.00 H new ATOM 710 N LYS A 48 8.117 7.646 5.537 1.00 0.00 N ATOM 711 CA LYS A 48 7.783 6.791 4.405 1.00 0.00 C ATOM 712 C LYS A 48 6.515 5.989 4.684 1.00 0.00 C ATOM 713 O LYS A 48 5.547 6.055 3.927 1.00 0.00 O ATOM 714 CB LYS A 48 8.942 5.841 4.096 1.00 0.00 C ATOM 715 CG LYS A 48 10.078 6.497 3.330 1.00 0.00 C ATOM 716 CD LYS A 48 9.878 6.380 1.828 1.00 0.00 C ATOM 717 CE LYS A 48 9.054 7.537 1.284 1.00 0.00 C ATOM 718 NZ LYS A 48 9.548 8.851 1.780 1.00 0.00 N ATOM 0 H LYS A 48 9.083 7.566 5.854 1.00 0.00 H new ATOM 0 HA LYS A 48 7.605 7.430 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.330 5.439 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.565 4.997 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.146 7.549 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.023 6.032 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.848 6.358 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.380 5.438 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.086 7.525 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.011 7.408 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.251 9.603 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.152 9.037 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.586 8.832 1.838 1.00 0.00 H new ATOM 732 N PHE A 49 6.528 5.233 5.777 1.00 0.00 N ATOM 733 CA PHE A 49 5.380 4.419 6.157 1.00 0.00 C ATOM 734 C PHE A 49 4.127 5.279 6.301 1.00 0.00 C ATOM 735 O PHE A 49 3.013 4.818 6.051 1.00 0.00 O ATOM 736 CB PHE A 49 5.661 3.683 7.469 1.00 0.00 C ATOM 737 CG PHE A 49 4.494 2.880 7.968 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.126 1.703 7.336 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.765 3.301 9.068 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.052 0.962 7.792 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.690 2.564 9.529 1.00 0.00 C ATOM 742 CZ PHE A 49 2.334 1.392 8.891 1.00 0.00 C ATOM 0 H PHE A 49 7.321 5.167 6.415 1.00 0.00 H new ATOM 0 HA PHE A 49 5.208 3.687 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.515 3.020 7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.944 4.410 8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.685 1.361 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.040 4.216 9.572 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.774 0.047 7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.129 2.904 10.387 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.496 0.813 9.250 1.00 0.00 H new ATOM 752 N ARG A 50 4.319 6.530 6.706 1.00 0.00 N ATOM 753 CA ARG A 50 3.206 7.454 6.886 1.00 0.00 C ATOM 754 C ARG A 50 2.484 7.698 5.564 1.00 0.00 C ATOM 755 O ARG A 50 1.331 8.129 5.546 1.00 0.00 O ATOM 756 CB ARG A 50 3.705 8.781 7.460 1.00 0.00 C ATOM 757 CG ARG A 50 2.606 9.627 8.083 1.00 0.00 C ATOM 758 CD ARG A 50 2.126 9.035 9.399 1.00 0.00 C ATOM 759 NE ARG A 50 1.288 9.969 10.146 1.00 0.00 N ATOM 760 CZ ARG A 50 0.614 9.637 11.241 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.680 8.401 11.715 1.00 0.00 N ATOM 762 NH2 ARG A 50 -0.128 10.544 11.865 1.00 0.00 N ATOM 0 H ARG A 50 5.235 6.927 6.916 1.00 0.00 H new ATOM 0 HA ARG A 50 2.503 7.005 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.467 8.578 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.186 9.353 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.975 10.639 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.768 9.704 7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.564 8.122 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.987 8.755 10.006 1.00 0.00 H new ATOM 0 HE ARG A 50 1.216 10.929 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.250 7.702 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.161 8.149 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.181 11.496 11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.646 10.289 12.706 1.00 0.00 H new ATOM 776 N GLU A 51 3.171 7.420 4.460 1.00 0.00 N ATOM 777 CA GLU A 51 2.594 7.612 3.134 1.00 0.00 C ATOM 778 C GLU A 51 2.066 6.294 2.575 1.00 0.00 C ATOM 779 O GLU A 51 1.086 6.272 1.830 1.00 0.00 O ATOM 780 CB GLU A 51 3.636 8.201 2.181 1.00 0.00 C ATOM 781 CG GLU A 51 3.782 9.709 2.296 1.00 0.00 C ATOM 782 CD GLU A 51 2.446 10.419 2.396 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.804 10.624 1.344 1.00 0.00 O ATOM 784 OE2 GLU A 51 2.041 10.768 3.524 1.00 0.00 O ATOM 0 H GLU A 51 4.126 7.062 4.457 1.00 0.00 H new ATOM 0 HA GLU A 51 1.760 8.308 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.601 7.735 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.363 7.948 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.382 9.946 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.325 10.085 1.429 1.00 0.00 H new ATOM 791 N ILE A 52 2.722 5.198 2.941 1.00 0.00 N ATOM 792 CA ILE A 52 2.319 3.876 2.477 1.00 0.00 C ATOM 793 C ILE A 52 0.999 3.450 3.111 1.00 0.00 C ATOM 794 O ILE A 52 0.088 2.990 2.424 1.00 0.00 O ATOM 795 CB ILE A 52 3.392 2.817 2.791 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.788 3.376 2.509 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.146 1.556 1.977 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.833 2.305 2.284 1.00 0.00 C ATOM 0 H ILE A 52 3.535 5.199 3.557 1.00 0.00 H new ATOM 0 HA ILE A 52 2.195 3.945 1.396 1.00 0.00 H new ATOM 0 HB ILE A 52 3.330 2.561 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.743 4.019 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.096 4.003 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.913 0.817 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.165 1.150 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.184 1.796 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.798 2.773 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.907 1.676 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.548 1.693 1.428 1.00 0.00 H new ATOM 810 N ALA A 53 0.904 3.607 4.427 1.00 0.00 N ATOM 811 CA ALA A 53 -0.306 3.242 5.155 1.00 0.00 C ATOM 812 C ALA A 53 -1.512 4.020 4.640 1.00 0.00 C ATOM 813 O ALA A 53 -2.434 3.444 4.064 1.00 0.00 O ATOM 814 CB ALA A 53 -0.118 3.483 6.645 1.00 0.00 C ATOM 0 H ALA A 53 1.650 3.984 5.011 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.493 2.181 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.029 3.206 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.712 2.878 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.097 4.537 6.819 1.00 0.00 H new ATOM 820 N GLU A 54 -1.498 5.333 4.851 1.00 0.00 N ATOM 821 CA GLU A 54 -2.593 6.189 4.409 1.00 0.00 C ATOM 822 C GLU A 54 -3.033 5.822 2.995 1.00 0.00 C ATOM 823 O GLU A 54 -4.220 5.860 2.673 1.00 0.00 O ATOM 824 CB GLU A 54 -2.172 7.659 4.458 1.00 0.00 C ATOM 825 CG GLU A 54 -3.226 8.612 3.920 1.00 0.00 C ATOM 826 CD GLU A 54 -3.173 9.975 4.582 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.861 10.037 5.789 1.00 0.00 O ATOM 828 OE2 GLU A 54 -3.444 10.980 3.892 1.00 0.00 O ATOM 0 H GLU A 54 -0.741 5.826 5.325 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.435 6.037 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.943 7.928 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.254 7.785 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.090 8.729 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.214 8.177 4.071 1.00 0.00 H new ATOM 835 N ALA A 55 -2.067 5.467 2.154 1.00 0.00 N ATOM 836 CA ALA A 55 -2.354 5.092 0.775 1.00 0.00 C ATOM 837 C ALA A 55 -3.097 3.762 0.711 1.00 0.00 C ATOM 838 O ALA A 55 -4.062 3.614 -0.039 1.00 0.00 O ATOM 839 CB ALA A 55 -1.065 5.017 -0.031 1.00 0.00 C ATOM 0 H ALA A 55 -1.079 5.431 2.404 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.997 5.859 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.294 4.736 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.573 5.990 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.403 4.272 0.410 1.00 0.00 H new ATOM 845 N TYR A 56 -2.642 2.796 1.502 1.00 0.00 N ATOM 846 CA TYR A 56 -3.262 1.477 1.533 1.00 0.00 C ATOM 847 C TYR A 56 -4.656 1.545 2.149 1.00 0.00 C ATOM 848 O TYR A 56 -5.629 1.075 1.561 1.00 0.00 O ATOM 849 CB TYR A 56 -2.390 0.499 2.322 1.00 0.00 C ATOM 850 CG TYR A 56 -3.123 -0.750 2.756 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.276 -1.826 1.889 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.663 -0.856 4.032 1.00 0.00 C ATOM 853 CE1 TYR A 56 -3.945 -2.969 2.281 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.332 -1.996 4.433 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.471 -3.050 3.554 1.00 0.00 C ATOM 856 OH TYR A 56 -5.138 -4.186 3.949 1.00 0.00 O ATOM 0 H TYR A 56 -1.846 2.902 2.130 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.355 1.123 0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.534 0.214 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.998 1.005 3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.865 -1.767 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.558 -0.032 4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.056 -3.795 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.744 -2.062 5.429 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.094 -4.088 3.757 1.00 0.00 H new ATOM 866 N GLU A 57 -4.742 2.134 3.338 1.00 0.00 N ATOM 867 CA GLU A 57 -6.017 2.263 4.034 1.00 0.00 C ATOM 868 C GLU A 57 -7.156 2.497 3.046 1.00 0.00 C ATOM 869 O GLU A 57 -8.182 1.818 3.091 1.00 0.00 O ATOM 870 CB GLU A 57 -5.958 3.413 5.042 1.00 0.00 C ATOM 871 CG GLU A 57 -5.018 3.153 6.207 1.00 0.00 C ATOM 872 CD GLU A 57 -5.581 2.156 7.200 1.00 0.00 C ATOM 873 OE1 GLU A 57 -5.707 0.966 6.841 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.896 2.565 8.338 1.00 0.00 O ATOM 0 H GLU A 57 -3.946 2.529 3.838 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.207 1.331 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.643 4.321 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.960 3.598 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.067 2.782 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.812 4.093 6.719 1.00 0.00 H new ATOM 881 N THR A 58 -6.968 3.464 2.153 1.00 0.00 N ATOM 882 CA THR A 58 -7.979 3.789 1.155 1.00 0.00 C ATOM 883 C THR A 58 -8.160 2.646 0.163 1.00 0.00 C ATOM 884 O THR A 58 -9.284 2.299 -0.202 1.00 0.00 O ATOM 885 CB THR A 58 -7.614 5.071 0.383 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.268 6.114 1.301 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.771 5.523 -0.494 1.00 0.00 C ATOM 0 H THR A 58 -6.125 4.036 2.101 1.00 0.00 H new ATOM 0 HA THR A 58 -8.913 3.951 1.693 1.00 0.00 H new ATOM 0 HB THR A 58 -6.759 4.852 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.680 6.759 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.489 6.430 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.012 4.738 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.642 5.725 0.129 1.00 0.00 H new ATOM 895 N LEU A 59 -7.047 2.064 -0.271 1.00 0.00 N ATOM 896 CA LEU A 59 -7.083 0.958 -1.221 1.00 0.00 C ATOM 897 C LEU A 59 -7.263 -0.374 -0.500 1.00 0.00 C ATOM 898 O LEU A 59 -7.156 -1.440 -1.107 1.00 0.00 O ATOM 899 CB LEU A 59 -5.799 0.931 -2.052 1.00 0.00 C ATOM 900 CG LEU A 59 -5.455 2.222 -2.796 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.119 2.086 -3.511 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.556 2.578 -3.784 1.00 0.00 C ATOM 0 H LEU A 59 -6.109 2.340 0.020 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.935 1.109 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.968 0.683 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.879 0.125 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.374 3.028 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.891 3.014 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.336 1.879 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.172 1.268 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.294 3.499 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.669 1.772 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.495 2.718 -3.248 1.00 0.00 H new ATOM 914 N SER A 60 -7.539 -0.306 0.798 1.00 0.00 N ATOM 915 CA SER A 60 -7.732 -1.507 1.603 1.00 0.00 C ATOM 916 C SER A 60 -9.217 -1.798 1.795 1.00 0.00 C ATOM 917 O SER A 60 -9.643 -2.953 1.772 1.00 0.00 O ATOM 918 CB SER A 60 -7.052 -1.349 2.964 1.00 0.00 C ATOM 919 OG SER A 60 -7.079 -2.565 3.692 1.00 0.00 O ATOM 0 H SER A 60 -7.634 0.568 1.315 1.00 0.00 H new ATOM 0 HA SER A 60 -7.280 -2.346 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.020 -1.029 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.553 -0.568 3.536 1.00 0.00 H new ATOM 0 HG SER A 60 -6.353 -2.568 4.351 1.00 0.00 H new ATOM 925 N ASP A 61 -10.001 -0.743 1.985 1.00 0.00 N ATOM 926 CA ASP A 61 -11.440 -0.884 2.181 1.00 0.00 C ATOM 927 C ASP A 61 -12.170 -0.910 0.841 1.00 0.00 C ATOM 928 O ASP A 61 -11.597 -0.578 -0.196 1.00 0.00 O ATOM 929 CB ASP A 61 -11.973 0.261 3.044 1.00 0.00 C ATOM 930 CG ASP A 61 -11.945 -0.069 4.523 1.00 0.00 C ATOM 931 OD1 ASP A 61 -12.323 -1.203 4.885 1.00 0.00 O ATOM 932 OD2 ASP A 61 -11.548 0.807 5.320 1.00 0.00 O ATOM 0 H ASP A 61 -9.665 0.220 2.008 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.622 -1.829 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.378 1.156 2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.996 0.492 2.745 1.00 0.00 H new ATOM 937 N ALA A 62 -13.437 -1.309 0.872 1.00 0.00 N ATOM 938 CA ALA A 62 -14.246 -1.378 -0.338 1.00 0.00 C ATOM 939 C ALA A 62 -14.717 0.008 -0.764 1.00 0.00 C ATOM 940 O ALA A 62 -14.242 0.558 -1.756 1.00 0.00 O ATOM 941 CB ALA A 62 -15.437 -2.301 -0.125 1.00 0.00 C ATOM 0 H ALA A 62 -13.925 -1.589 1.722 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.625 -1.783 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.032 -2.343 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.082 -3.301 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.051 -1.921 0.692 1.00 0.00 H new ATOM 947 N ASN A 63 -15.655 0.567 -0.006 1.00 0.00 N ATOM 948 CA ASN A 63 -16.192 1.890 -0.306 1.00 0.00 C ATOM 949 C ASN A 63 -15.067 2.898 -0.517 1.00 0.00 C ATOM 950 O ASN A 63 -15.079 3.664 -1.481 1.00 0.00 O ATOM 951 CB ASN A 63 -17.108 2.360 0.825 1.00 0.00 C ATOM 952 CG ASN A 63 -18.023 1.258 1.324 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.660 0.560 0.535 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.092 1.097 2.641 1.00 0.00 N ATOM 0 H ASN A 63 -16.059 0.125 0.820 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.771 1.820 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.500 2.726 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.711 3.199 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.691 0.372 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.546 1.699 3.258 1.00 0.00 H new ATOM 961 N ARG A 64 -14.096 2.892 0.390 1.00 0.00 N ATOM 962 CA ARG A 64 -12.964 3.806 0.304 1.00 0.00 C ATOM 963 C ARG A 64 -12.250 3.663 -1.037 1.00 0.00 C ATOM 964 O ARG A 64 -12.086 4.638 -1.771 1.00 0.00 O ATOM 965 CB ARG A 64 -11.981 3.544 1.447 1.00 0.00 C ATOM 966 CG ARG A 64 -12.532 3.901 2.818 1.00 0.00 C ATOM 967 CD ARG A 64 -11.431 3.949 3.866 1.00 0.00 C ATOM 968 NE ARG A 64 -11.784 4.810 4.991 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.965 6.122 4.885 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.827 6.720 3.709 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.284 6.838 5.955 1.00 0.00 N ATOM 0 H ARG A 64 -14.071 2.264 1.193 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.345 4.824 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.701 2.490 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.070 4.117 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.032 4.868 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.283 3.168 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.232 2.941 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.510 4.310 3.408 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.898 4.381 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.582 6.173 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.966 7.727 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.391 6.381 6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.423 7.845 5.872 1.00 0.00 H new ATOM 985 N ARG A 65 -11.829 2.442 -1.350 1.00 0.00 N ATOM 986 CA ARG A 65 -11.131 2.172 -2.602 1.00 0.00 C ATOM 987 C ARG A 65 -12.043 2.429 -3.798 1.00 0.00 C ATOM 988 O ARG A 65 -11.578 2.779 -4.883 1.00 0.00 O ATOM 989 CB ARG A 65 -10.630 0.727 -2.629 1.00 0.00 C ATOM 990 CG ARG A 65 -9.754 0.410 -3.830 1.00 0.00 C ATOM 991 CD ARG A 65 -10.577 -0.102 -5.001 1.00 0.00 C ATOM 992 NE ARG A 65 -9.763 -0.844 -5.960 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.272 -1.586 -6.938 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.586 -1.682 -7.085 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.466 -2.232 -7.770 1.00 0.00 N ATOM 0 H ARG A 65 -11.959 1.624 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.277 2.846 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.067 0.529 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.487 0.054 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.209 1.305 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.011 -0.337 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.375 -0.745 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.053 0.739 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.748 -0.790 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.208 -1.186 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.975 -2.252 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.455 -2.160 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.858 -2.801 -8.520 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.344 2.252 -3.593 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.322 2.465 -4.653 1.00 0.00 C ATOM 1011 C LYS A 66 -14.432 3.946 -5.002 1.00 0.00 C ATOM 1012 O LYS A 66 -14.491 4.312 -6.176 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.690 1.927 -4.228 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.708 1.896 -5.355 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.131 1.951 -4.823 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.106 1.263 -5.766 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.153 1.929 -7.097 1.00 0.00 N ATOM 0 H LYS A 66 -13.746 1.961 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.985 1.925 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.568 0.919 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.077 2.543 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.536 2.738 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.573 0.988 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.173 1.474 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.429 2.990 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.815 0.220 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.102 1.265 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.877 1.473 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.389 2.934 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.226 1.845 -7.560 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.459 4.791 -3.977 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.561 6.232 -4.178 1.00 0.00 C ATOM 1033 C GLU A 67 -13.250 6.801 -4.711 1.00 0.00 C ATOM 1034 O GLU A 67 -13.244 7.608 -5.641 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.936 6.926 -2.867 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.262 6.461 -2.288 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.966 7.545 -1.496 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.133 8.659 -2.035 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.349 7.280 -0.337 1.00 0.00 O ATOM 0 H GLU A 67 -14.412 4.503 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.343 6.416 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.148 6.750 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.980 8.002 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.911 6.129 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.090 5.599 -1.643 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.142 6.376 -4.115 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.824 6.846 -4.527 1.00 0.00 C ATOM 1048 C TYR A 68 -10.549 6.486 -5.984 1.00 0.00 C ATOM 1049 O TYR A 68 -9.829 7.197 -6.685 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.742 6.245 -3.629 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.337 6.640 -4.026 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.652 5.945 -5.015 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.696 7.709 -3.413 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.369 6.302 -5.381 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.413 8.075 -3.773 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.754 7.368 -4.757 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.476 7.727 -5.120 1.00 0.00 O ATOM 0 H TYR A 68 -12.130 5.707 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.806 7.932 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.921 6.557 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.825 5.158 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.131 5.111 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.209 8.264 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.850 5.750 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.929 8.909 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.308 8.655 -4.853 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.129 5.378 -6.433 1.00 0.00 N ATOM 1068 CA ASP A 69 -10.948 4.923 -7.806 1.00 0.00 C ATOM 1069 C ASP A 69 -11.975 5.568 -8.732 1.00 0.00 C ATOM 1070 O ASP A 69 -11.643 6.020 -9.828 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.063 3.400 -7.881 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.223 2.810 -8.997 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.105 3.459 -10.056 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.685 1.698 -8.811 1.00 0.00 O ATOM 0 H ASP A 69 -11.728 4.779 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.952 5.221 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.753 2.968 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.107 3.124 -8.031 1.00 0.00 H new ATOM 1079 N THR A 70 -13.226 5.607 -8.283 1.00 0.00 N ATOM 1080 CA THR A 70 -14.303 6.195 -9.071 1.00 0.00 C ATOM 1081 C THR A 70 -14.135 7.705 -9.190 1.00 0.00 C ATOM 1082 O THR A 70 -14.580 8.315 -10.164 1.00 0.00 O ATOM 1083 CB THR A 70 -15.681 5.889 -8.455 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.704 6.034 -9.447 1.00 0.00 O ATOM 1085 CG2 THR A 70 -15.968 6.817 -7.285 1.00 0.00 C ATOM 0 H THR A 70 -13.518 5.238 -7.378 1.00 0.00 H new ATOM 0 HA THR A 70 -14.250 5.747 -10.063 1.00 0.00 H new ATOM 0 HB THR A 70 -15.672 4.862 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.577 5.836 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.946 6.582 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.204 6.684 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.960 7.851 -7.630 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.492 8.305 -8.195 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.265 9.746 -8.188 1.00 0.00 C ATOM 1095 C LEU A 71 -11.818 10.071 -8.544 1.00 0.00 C ATOM 1096 O LEU A 71 -11.551 10.960 -9.351 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.608 10.330 -6.817 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.020 10.049 -6.302 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.082 10.218 -4.792 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.029 10.962 -6.984 1.00 0.00 C ATOM 0 H LEU A 71 -13.118 7.816 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.914 10.195 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.894 9.942 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.466 11.410 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.274 9.016 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.095 10.014 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.389 9.522 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.807 11.239 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.028 10.748 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.777 12.002 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.005 10.791 -8.060 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.886 9.342 -7.937 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.478 9.566 -8.204 1.00 0.00 C ATOM 1114 C GLY A 72 -8.700 9.926 -6.954 1.00 0.00 C ATOM 1115 O GLY A 72 -9.102 9.579 -5.843 1.00 0.00 O ATOM 0 H GLY A 72 -11.082 8.600 -7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.049 8.668 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.373 10.367 -8.936 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.583 10.624 -7.133 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.747 11.030 -6.010 1.00 0.00 C ATOM 1121 C HIS A 73 -7.128 12.426 -5.526 1.00 0.00 C ATOM 1122 O HIS A 73 -7.385 12.633 -4.340 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.271 11.002 -6.409 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.348 11.466 -5.324 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.027 10.695 -4.228 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.675 12.631 -5.173 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.198 11.365 -3.448 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.968 12.543 -3.999 1.00 0.00 N ATOM 0 H HIS A 73 -7.236 10.920 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.909 10.325 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.000 9.986 -6.695 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.129 11.630 -7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.691 13.473 -5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.779 11.010 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.364 13.269 -3.615 1.00 0.00 H new ATOM 1136 N SER A 74 -7.163 13.379 -6.451 1.00 0.00 N ATOM 1137 CA SER A 74 -7.508 14.756 -6.117 1.00 0.00 C ATOM 1138 C SER A 74 -9.017 14.912 -5.949 1.00 0.00 C ATOM 1139 O SER A 74 -9.483 15.616 -5.054 1.00 0.00 O ATOM 1140 CB SER A 74 -7.004 15.708 -7.204 1.00 0.00 C ATOM 1141 OG SER A 74 -7.366 17.048 -6.915 1.00 0.00 O ATOM 0 H SER A 74 -6.957 13.223 -7.438 1.00 0.00 H new ATOM 0 HA SER A 74 -7.026 15.007 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.920 15.630 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.418 15.416 -8.169 1.00 0.00 H new ATOM 0 HG SER A 74 -7.031 17.637 -7.623 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.774 14.249 -6.817 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.230 14.312 -6.764 1.00 0.00 C ATOM 1149 C ALA A 75 -11.760 13.679 -5.482 1.00 0.00 C ATOM 1150 O ALA A 75 -12.707 14.180 -4.875 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.832 13.627 -7.981 1.00 0.00 C ATOM 0 H ALA A 75 -9.404 13.662 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.524 15.361 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.919 13.681 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.487 14.126 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.522 12.582 -8.001 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.145 12.573 -5.075 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.556 11.870 -3.865 1.00 0.00 C ATOM 1159 C PHE A 76 -11.156 12.654 -2.618 1.00 0.00 C ATOM 1160 O PHE A 76 -11.906 12.718 -1.643 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.934 10.473 -3.825 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.104 9.779 -2.505 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -12.300 9.155 -2.184 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -10.070 9.749 -1.584 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -12.459 8.516 -0.969 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -10.223 9.111 -0.367 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.419 8.493 -0.060 1.00 0.00 C ATOM 0 H PHE A 76 -10.360 12.144 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.642 11.776 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.383 9.862 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.871 10.551 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.116 9.169 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.132 10.230 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.396 8.035 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.409 9.096 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.541 7.992 0.889 1.00 0.00 H new