USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 711 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 15 THR OG1 : rot 180:sc= 0.306 USER MOD Set 1.2: A 17 GLN : amide:sc= -2.46 K(o=-2.2,f=-7!) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00222) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -6.19! C(o=-6.2!,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 18:sc= 0.385 USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.0589 (180deg=-0.348) USER MOD Single : A 29 CYS SG : rot -34:sc= -0.401 USER MOD Single : A 32 SER OG : rot -44:sc= 0.894 USER MOD Single : A 34 ASN : amide:sc= 0.24 K(o=0.24,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0255) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.343 (180deg=0.243) USER MOD Single : A 42 ASN : amide:sc= -8.32! C(o=-8.3!,f=-14!) USER MOD Single : A 47 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -0.164 (180deg=-1.06) USER MOD Single : A 56 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.85) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0.767 K(o=0.77,f=-3.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 76 TYR OH : rot -16:sc= 0.127 USER MOD Single : A 83 TYR OH : rot 92:sc= 0.489 USER MOD Single : A 84 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.94) USER MOD Single : A 86 THR OG1 : rot 38:sc= 0.54 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.663 (180deg=-1.49!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.584 -3.532 11.682 1.00 0.00 N ATOM 67 CA LEU A 8 -12.223 -3.741 11.200 1.00 0.00 C ATOM 68 C LEU A 8 -11.211 -3.050 12.109 1.00 0.00 C ATOM 69 O LEU A 8 -11.113 -1.823 12.127 1.00 0.00 O ATOM 70 CB LEU A 8 -12.081 -3.218 9.770 1.00 0.00 C ATOM 71 CG LEU A 8 -10.670 -3.247 9.182 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.391 -4.591 8.529 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.487 -2.117 8.179 1.00 0.00 C ATOM 0 HA LEU A 8 -12.021 -4.812 11.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.735 -3.804 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.443 -2.190 9.743 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.956 -3.105 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.382 -4.593 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.480 -5.382 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.111 -4.763 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.477 -2.153 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.210 -2.228 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.643 -1.160 8.677 1.00 0.00 H new ATOM 85 N LYS A 9 -10.460 -3.846 12.862 1.00 0.00 N ATOM 86 CA LYS A 9 -9.453 -3.312 13.772 1.00 0.00 C ATOM 87 C LYS A 9 -8.075 -3.311 13.118 1.00 0.00 C ATOM 88 O LYS A 9 -7.652 -4.312 12.538 1.00 0.00 O ATOM 89 CB LYS A 9 -9.416 -4.133 15.063 1.00 0.00 C ATOM 90 CG LYS A 9 -10.671 -3.995 15.907 1.00 0.00 C ATOM 91 CD LYS A 9 -10.584 -4.829 17.175 1.00 0.00 C ATOM 92 CE LYS A 9 -9.936 -4.051 18.310 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.885 -3.089 18.935 1.00 0.00 N ATOM 0 H LYS A 9 -10.529 -4.864 12.860 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.723 -2.283 14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.271 -5.184 14.812 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.554 -3.825 15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.821 -2.948 16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.538 -4.306 15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.584 -5.145 17.473 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.009 -5.734 16.978 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.573 -4.747 19.067 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.068 -3.511 17.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.352 -2.369 19.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.450 -2.627 18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.517 -3.598 19.585 1.00 0.00 H new ATOM 107 N ILE A 10 -7.378 -2.184 13.217 1.00 0.00 N ATOM 108 CA ILE A 10 -6.047 -2.055 12.637 1.00 0.00 C ATOM 109 C ILE A 10 -4.986 -2.645 13.560 1.00 0.00 C ATOM 110 O ILE A 10 -4.497 -1.974 14.469 1.00 0.00 O ATOM 111 CB ILE A 10 -5.699 -0.583 12.347 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.518 -0.066 11.162 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.210 -0.435 12.074 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.761 1.426 11.201 1.00 0.00 C ATOM 0 H ILE A 10 -7.713 -1.347 13.694 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.057 -2.609 11.698 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.949 0.014 13.224 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.001 -0.318 10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.478 -0.582 11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.980 0.611 11.871 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.646 -0.768 12.945 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.936 -1.041 11.210 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.347 1.722 10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.305 1.682 12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.806 1.951 11.190 1.00 0.00 H new ATOM 126 N LEU A 11 -4.634 -3.903 13.319 1.00 0.00 N ATOM 127 CA LEU A 11 -3.628 -4.583 14.127 1.00 0.00 C ATOM 128 C LEU A 11 -2.229 -4.067 13.805 1.00 0.00 C ATOM 129 O LEU A 11 -1.585 -3.426 14.637 1.00 0.00 O ATOM 130 CB LEU A 11 -3.693 -6.093 13.892 1.00 0.00 C ATOM 131 CG LEU A 11 -4.984 -6.786 14.330 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.216 -8.048 13.513 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.936 -7.112 15.816 1.00 0.00 C ATOM 0 H LEU A 11 -5.030 -4.472 12.571 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.839 -4.374 15.176 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.546 -6.282 12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.859 -6.558 14.417 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.817 -6.106 14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.139 -8.528 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.295 -7.789 12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.381 -8.733 13.657 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.863 -7.605 16.111 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.093 -7.774 16.016 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.817 -6.191 16.387 1.00 0.00 H new ATOM 145 N THR A 12 -1.765 -4.347 12.592 1.00 0.00 N ATOM 146 CA THR A 12 -0.444 -3.911 12.159 1.00 0.00 C ATOM 147 C THR A 12 -0.538 -2.996 10.943 1.00 0.00 C ATOM 148 O THR A 12 -0.525 -3.444 9.797 1.00 0.00 O ATOM 149 CB THR A 12 0.460 -5.110 11.816 1.00 0.00 C ATOM 150 OG1 THR A 12 0.428 -6.067 12.880 1.00 0.00 O ATOM 151 CG2 THR A 12 1.893 -4.657 11.578 1.00 0.00 C ATOM 0 H THR A 12 -2.285 -4.875 11.891 1.00 0.00 H new ATOM 0 HA THR A 12 -0.005 -3.361 12.991 1.00 0.00 H new ATOM 0 HB THR A 12 0.085 -5.570 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.004 -6.827 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.513 -5.521 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.918 -3.950 10.749 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.276 -4.175 12.477 1.00 0.00 H new ATOM 159 N PRO A 13 -0.633 -1.682 11.196 1.00 0.00 N ATOM 160 CA PRO A 13 -0.730 -0.676 10.134 1.00 0.00 C ATOM 161 C PRO A 13 0.572 -0.531 9.353 1.00 0.00 C ATOM 162 O PRO A 13 1.618 -1.028 9.772 1.00 0.00 O ATOM 163 CB PRO A 13 -1.044 0.614 10.895 1.00 0.00 C ATOM 164 CG PRO A 13 -0.493 0.392 12.261 1.00 0.00 C ATOM 165 CD PRO A 13 -0.654 -1.077 12.539 1.00 0.00 C ATOM 0 HA PRO A 13 -1.480 -0.940 9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.582 1.478 10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.117 0.804 10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.555 0.686 12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.028 0.990 12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.153 -1.459 13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.588 -1.288 13.060 1.00 0.00 H new ATOM 173 N LEU A 14 0.501 0.153 8.217 1.00 0.00 N ATOM 174 CA LEU A 14 1.675 0.365 7.377 1.00 0.00 C ATOM 175 C LEU A 14 2.715 1.215 8.099 1.00 0.00 C ATOM 176 O LEU A 14 2.391 1.957 9.027 1.00 0.00 O ATOM 177 CB LEU A 14 1.272 1.038 6.064 1.00 0.00 C ATOM 178 CG LEU A 14 0.135 0.371 5.288 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.650 1.405 4.496 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.682 -0.709 4.366 1.00 0.00 C ATOM 0 H LEU A 14 -0.357 0.570 7.856 1.00 0.00 H new ATOM 0 HA LEU A 14 2.116 -0.608 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.983 2.066 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.149 1.082 5.418 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.542 -0.098 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.454 0.912 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.073 2.142 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.014 1.904 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.140 -1.173 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.380 -0.263 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.198 -1.465 4.957 1.00 0.00 H new ATOM 192 N THR A 15 3.967 1.104 7.666 1.00 0.00 N ATOM 193 CA THR A 15 5.055 1.863 8.270 1.00 0.00 C ATOM 194 C THR A 15 5.861 2.606 7.211 1.00 0.00 C ATOM 195 O THR A 15 5.614 2.461 6.013 1.00 0.00 O ATOM 196 CB THR A 15 6.001 0.948 9.071 1.00 0.00 C ATOM 197 OG1 THR A 15 6.302 -0.229 8.313 1.00 0.00 O ATOM 198 CG2 THR A 15 5.376 0.556 10.401 1.00 0.00 C ATOM 0 H THR A 15 4.253 0.495 6.899 1.00 0.00 H new ATOM 0 HA THR A 15 4.599 2.584 8.948 1.00 0.00 H new ATOM 0 HB THR A 15 6.922 1.497 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.905 -0.805 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.062 -0.090 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.176 1.453 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.442 0.024 10.221 1.00 0.00 H new ATOM 206 N ASP A 16 6.825 3.402 7.659 1.00 0.00 N ATOM 207 CA ASP A 16 7.670 4.167 6.749 1.00 0.00 C ATOM 208 C ASP A 16 8.706 3.268 6.082 1.00 0.00 C ATOM 209 O ASP A 16 9.525 2.644 6.757 1.00 0.00 O ATOM 210 CB ASP A 16 8.369 5.302 7.500 1.00 0.00 C ATOM 211 CG ASP A 16 8.972 4.842 8.812 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.997 4.130 8.776 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.418 5.193 9.876 1.00 0.00 O ATOM 0 H ASP A 16 7.041 3.535 8.647 1.00 0.00 H new ATOM 0 HA ASP A 16 7.033 4.593 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.153 5.722 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.653 6.101 7.693 1.00 0.00 H new ATOM 218 N GLN A 17 8.662 3.205 4.756 1.00 0.00 N ATOM 219 CA GLN A 17 9.597 2.380 3.999 1.00 0.00 C ATOM 220 C GLN A 17 10.404 3.228 3.022 1.00 0.00 C ATOM 221 O GLN A 17 9.848 4.034 2.275 1.00 0.00 O ATOM 222 CB GLN A 17 8.844 1.285 3.241 1.00 0.00 C ATOM 223 CG GLN A 17 8.669 0.003 4.039 1.00 0.00 C ATOM 224 CD GLN A 17 7.864 0.211 5.307 1.00 0.00 C ATOM 225 OE1 GLN A 17 6.644 0.373 5.262 1.00 0.00 O ATOM 226 NE2 GLN A 17 8.544 0.206 6.448 1.00 0.00 N ATOM 0 H GLN A 17 7.990 3.715 4.183 1.00 0.00 H new ATOM 0 HA GLN A 17 10.287 1.916 4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.862 1.662 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.380 1.059 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.174 -0.743 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.650 -0.397 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.555 0.068 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.056 0.340 7.333 1.00 0.00 H new ATOM 235 N THR A 18 11.721 3.042 3.032 1.00 0.00 N ATOM 236 CA THR A 18 12.605 3.791 2.149 1.00 0.00 C ATOM 237 C THR A 18 13.570 2.861 1.421 1.00 0.00 C ATOM 238 O THR A 18 14.221 2.018 2.038 1.00 0.00 O ATOM 239 CB THR A 18 13.415 4.845 2.926 1.00 0.00 C ATOM 240 OG1 THR A 18 12.529 5.791 3.536 1.00 0.00 O ATOM 241 CG2 THR A 18 14.384 5.571 2.005 1.00 0.00 C ATOM 0 H THR A 18 12.198 2.379 3.642 1.00 0.00 H new ATOM 0 HA THR A 18 11.970 4.296 1.421 1.00 0.00 H new ATOM 0 HB THR A 18 13.988 4.333 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.051 6.457 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.945 6.310 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.075 4.852 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.827 6.071 1.213 1.00 0.00 H new ATOM 249 N VAL A 19 13.658 3.021 0.104 1.00 0.00 N ATOM 250 CA VAL A 19 14.545 2.197 -0.708 1.00 0.00 C ATOM 251 C VAL A 19 15.063 2.973 -1.915 1.00 0.00 C ATOM 252 O VAL A 19 14.323 3.723 -2.548 1.00 0.00 O ATOM 253 CB VAL A 19 13.834 0.922 -1.199 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.531 -0.003 -0.030 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.562 1.278 -1.952 1.00 0.00 C ATOM 0 H VAL A 19 13.126 3.714 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 19 15.384 1.914 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 19 14.499 0.396 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.029 -0.899 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.462 -0.284 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.885 0.510 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.073 0.365 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.890 1.826 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.810 1.898 -2.813 1.00 0.00 H new ATOM 265 N ASN A 20 16.341 2.784 -2.227 1.00 0.00 N ATOM 266 CA ASN A 20 16.960 3.466 -3.359 1.00 0.00 C ATOM 267 C ASN A 20 16.279 3.077 -4.667 1.00 0.00 C ATOM 268 O ASN A 20 15.943 1.911 -4.882 1.00 0.00 O ATOM 269 CB ASN A 20 18.452 3.133 -3.428 1.00 0.00 C ATOM 270 CG ASN A 20 19.271 4.268 -4.013 1.00 0.00 C ATOM 271 OD1 ASN A 20 20.271 4.689 -3.433 1.00 0.00 O ATOM 272 ND2 ASN A 20 18.848 4.768 -5.168 1.00 0.00 N ATOM 0 H ASN A 20 16.968 2.165 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 20 16.841 4.540 -3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.817 2.904 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.594 2.237 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.358 5.533 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.013 4.387 -5.613 1.00 0.00 H new ATOM 279 N LEU A 21 16.078 4.060 -5.538 1.00 0.00 N ATOM 280 CA LEU A 21 15.437 3.821 -6.827 1.00 0.00 C ATOM 281 C LEU A 21 15.887 2.489 -7.420 1.00 0.00 C ATOM 282 O LEU A 21 17.039 2.086 -7.264 1.00 0.00 O ATOM 283 CB LEU A 21 15.758 4.959 -7.797 1.00 0.00 C ATOM 284 CG LEU A 21 14.829 5.093 -9.004 1.00 0.00 C ATOM 285 CD1 LEU A 21 13.609 5.928 -8.648 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.572 5.707 -10.182 1.00 0.00 C ATOM 0 H LEU A 21 16.349 5.030 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 21 14.359 3.781 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.740 5.898 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.777 4.823 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 21 14.491 4.097 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.959 6.013 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.065 5.448 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.927 6.922 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.896 5.795 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.938 6.696 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.414 5.070 -10.453 1.00 0.00 H new ATOM 298 N GLY A 22 14.969 1.811 -8.103 1.00 0.00 N ATOM 299 CA GLY A 22 15.291 0.533 -8.711 1.00 0.00 C ATOM 300 C GLY A 22 14.980 -0.637 -7.800 1.00 0.00 C ATOM 301 O GLY A 22 14.743 -1.752 -8.267 1.00 0.00 O ATOM 0 H GLY A 22 14.009 2.124 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.731 0.425 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.349 0.515 -8.972 1.00 0.00 H new ATOM 305 N LYS A 23 14.981 -0.386 -6.495 1.00 0.00 N ATOM 306 CA LYS A 23 14.697 -1.428 -5.515 1.00 0.00 C ATOM 307 C LYS A 23 13.286 -1.979 -5.700 1.00 0.00 C ATOM 308 O LYS A 23 12.540 -1.519 -6.563 1.00 0.00 O ATOM 309 CB LYS A 23 14.859 -0.879 -4.096 1.00 0.00 C ATOM 310 CG LYS A 23 16.306 -0.641 -3.698 1.00 0.00 C ATOM 311 CD LYS A 23 16.967 -1.918 -3.207 1.00 0.00 C ATOM 312 CE LYS A 23 18.441 -1.702 -2.905 1.00 0.00 C ATOM 313 NZ LYS A 23 19.278 -1.794 -4.133 1.00 0.00 N ATOM 0 H LYS A 23 15.175 0.530 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 23 15.408 -2.240 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.309 0.058 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.407 -1.577 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.859 -0.249 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.349 0.116 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.459 -2.270 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.859 -2.698 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.578 -0.723 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.776 -2.445 -2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.276 -1.641 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.167 -2.736 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.976 -1.069 -4.814 1.00 0.00 H new ATOM 327 N GLU A 24 12.929 -2.964 -4.882 1.00 0.00 N ATOM 328 CA GLU A 24 11.607 -3.576 -4.957 1.00 0.00 C ATOM 329 C GLU A 24 10.742 -3.146 -3.776 1.00 0.00 C ATOM 330 O GLU A 24 10.789 -3.753 -2.705 1.00 0.00 O ATOM 331 CB GLU A 24 11.728 -5.101 -4.987 1.00 0.00 C ATOM 332 CG GLU A 24 10.410 -5.811 -5.245 1.00 0.00 C ATOM 333 CD GLU A 24 10.599 -7.229 -5.746 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.177 -7.400 -6.840 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.170 -8.168 -5.044 1.00 0.00 O ATOM 0 H GLU A 24 13.535 -3.355 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 24 11.129 -3.239 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.442 -5.385 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.135 -5.444 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.826 -5.830 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.834 -5.245 -5.977 1.00 0.00 H new ATOM 342 N ILE A 25 9.953 -2.096 -3.979 1.00 0.00 N ATOM 343 CA ILE A 25 9.076 -1.586 -2.932 1.00 0.00 C ATOM 344 C ILE A 25 8.336 -2.721 -2.233 1.00 0.00 C ATOM 345 O ILE A 25 8.053 -3.756 -2.838 1.00 0.00 O ATOM 346 CB ILE A 25 8.048 -0.588 -3.496 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.761 0.579 -4.184 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.139 -0.080 -2.387 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.596 1.416 -3.241 1.00 0.00 C ATOM 0 H ILE A 25 9.903 -1.582 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 25 9.711 -1.072 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 25 7.434 -1.101 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.402 0.188 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.018 1.217 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.418 0.624 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.609 -0.920 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.738 0.420 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.072 2.224 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.957 1.837 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.362 0.791 -2.781 1.00 0.00 H new ATOM 361 N CYS A 26 8.023 -2.519 -0.958 1.00 0.00 N ATOM 362 CA CYS A 26 7.314 -3.525 -0.176 1.00 0.00 C ATOM 363 C CYS A 26 6.499 -2.874 0.937 1.00 0.00 C ATOM 364 O CYS A 26 6.969 -1.955 1.608 1.00 0.00 O ATOM 365 CB CYS A 26 8.302 -4.529 0.419 1.00 0.00 C ATOM 366 SG CYS A 26 9.287 -3.872 1.786 1.00 0.00 S ATOM 0 H CYS A 26 8.249 -1.668 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 26 6.630 -4.051 -0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.751 -5.402 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.974 -4.871 -0.368 1.00 0.00 H new ATOM 0 HG CYS A 26 8.715 -2.805 2.260 1.00 0.00 H new ATOM 372 N LEU A 27 5.275 -3.355 1.125 1.00 0.00 N ATOM 373 CA LEU A 27 4.393 -2.819 2.156 1.00 0.00 C ATOM 374 C LEU A 27 3.436 -3.891 2.665 1.00 0.00 C ATOM 375 O LEU A 27 2.582 -4.380 1.925 1.00 0.00 O ATOM 376 CB LEU A 27 3.600 -1.630 1.609 1.00 0.00 C ATOM 377 CG LEU A 27 4.378 -0.324 1.444 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.552 0.696 0.675 1.00 0.00 C ATOM 379 CD2 LEU A 27 4.785 0.230 2.801 1.00 0.00 C ATOM 0 H LEU A 27 4.871 -4.115 0.577 1.00 0.00 H new ATOM 0 HA LEU A 27 5.011 -2.484 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.188 -1.909 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.756 -1.445 2.273 1.00 0.00 H new ATOM 0 HG LEU A 27 5.283 -0.532 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.122 1.619 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.312 0.300 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.629 0.901 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.338 1.159 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.893 0.423 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.416 -0.495 3.315 1.00 0.00 H new ATOM 391 N LYS A 28 3.582 -4.253 3.936 1.00 0.00 N ATOM 392 CA LYS A 28 2.729 -5.265 4.547 1.00 0.00 C ATOM 393 C LYS A 28 1.953 -4.684 5.724 1.00 0.00 C ATOM 394 O LYS A 28 2.501 -3.931 6.531 1.00 0.00 O ATOM 395 CB LYS A 28 3.570 -6.455 5.015 1.00 0.00 C ATOM 396 CG LYS A 28 2.800 -7.764 5.059 1.00 0.00 C ATOM 397 CD LYS A 28 3.723 -8.960 4.896 1.00 0.00 C ATOM 398 CE LYS A 28 3.180 -10.185 5.615 1.00 0.00 C ATOM 399 NZ LYS A 28 3.218 -10.022 7.095 1.00 0.00 N ATOM 0 H LYS A 28 4.284 -3.860 4.563 1.00 0.00 H new ATOM 0 HA LYS A 28 2.016 -5.604 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.426 -6.569 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.965 -6.242 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.266 -7.842 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.049 -7.772 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.847 -9.184 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.710 -8.715 5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.154 -10.368 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.763 -11.061 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.205 -10.958 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.086 -9.518 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.389 -9.476 7.406 1.00 0.00 H new ATOM 413 N CYS A 29 0.676 -5.038 5.818 1.00 0.00 N ATOM 414 CA CYS A 29 -0.175 -4.551 6.898 1.00 0.00 C ATOM 415 C CYS A 29 -1.165 -5.626 7.336 1.00 0.00 C ATOM 416 O CYS A 29 -1.752 -6.317 6.504 1.00 0.00 O ATOM 417 CB CYS A 29 -0.928 -3.296 6.456 1.00 0.00 C ATOM 418 SG CYS A 29 -1.975 -3.537 5.001 1.00 0.00 S ATOM 0 H CYS A 29 0.207 -5.660 5.160 1.00 0.00 H new ATOM 0 HA CYS A 29 0.463 -4.302 7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.547 -2.947 7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.206 -2.508 6.244 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.420 -4.402 4.205 1.00 0.00 H new ATOM 424 N GLU A 30 -1.344 -5.760 8.646 1.00 0.00 N ATOM 425 CA GLU A 30 -2.261 -6.753 9.194 1.00 0.00 C ATOM 426 C GLU A 30 -3.530 -6.088 9.720 1.00 0.00 C ATOM 427 O GLU A 30 -3.512 -4.927 10.128 1.00 0.00 O ATOM 428 CB GLU A 30 -1.583 -7.543 10.315 1.00 0.00 C ATOM 429 CG GLU A 30 -2.310 -8.827 10.680 1.00 0.00 C ATOM 430 CD GLU A 30 -2.095 -9.227 12.127 1.00 0.00 C ATOM 431 OE1 GLU A 30 -1.678 -8.364 12.926 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.346 -10.405 12.459 1.00 0.00 O ATOM 0 H GLU A 30 -0.867 -5.194 9.347 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.536 -7.439 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.564 -7.786 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.511 -6.912 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.377 -8.701 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.967 -9.632 10.030 1.00 0.00 H new ATOM 439 N ILE A 31 -4.630 -6.834 9.707 1.00 0.00 N ATOM 440 CA ILE A 31 -5.908 -6.318 10.184 1.00 0.00 C ATOM 441 C ILE A 31 -6.726 -7.414 10.858 1.00 0.00 C ATOM 442 O ILE A 31 -6.416 -8.599 10.735 1.00 0.00 O ATOM 443 CB ILE A 31 -6.733 -5.710 9.034 1.00 0.00 C ATOM 444 CG1 ILE A 31 -6.668 -6.610 7.799 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.232 -4.311 8.705 1.00 0.00 C ATOM 446 CD1 ILE A 31 -7.690 -6.258 6.740 1.00 0.00 C ATOM 0 H ILE A 31 -4.662 -7.797 9.372 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.683 -5.538 10.911 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.773 -5.637 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.670 -6.546 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.816 -7.645 8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.825 -3.894 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.326 -3.674 9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.186 -4.361 8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.586 -6.937 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.693 -6.350 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.529 -5.233 6.405 1.00 0.00 H new ATOM 458 N SER A 32 -7.774 -7.010 11.569 1.00 0.00 N ATOM 459 CA SER A 32 -8.637 -7.957 12.264 1.00 0.00 C ATOM 460 C SER A 32 -9.784 -8.409 11.365 1.00 0.00 C ATOM 461 O SER A 32 -10.875 -8.717 11.842 1.00 0.00 O ATOM 462 CB SER A 32 -9.193 -7.329 13.543 1.00 0.00 C ATOM 463 OG SER A 32 -9.958 -8.266 14.282 1.00 0.00 O ATOM 0 H SER A 32 -8.046 -6.033 11.679 1.00 0.00 H new ATOM 0 HA SER A 32 -8.039 -8.830 12.527 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.372 -6.961 14.157 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.812 -6.469 13.290 1.00 0.00 H new ATOM 0 HG SER A 32 -10.541 -8.765 13.673 1.00 0.00 H new ATOM 469 N GLU A 33 -9.527 -8.445 10.061 1.00 0.00 N ATOM 470 CA GLU A 33 -10.538 -8.858 9.095 1.00 0.00 C ATOM 471 C GLU A 33 -9.911 -9.111 7.727 1.00 0.00 C ATOM 472 O GLU A 33 -8.794 -8.674 7.454 1.00 0.00 O ATOM 473 CB GLU A 33 -11.630 -7.792 8.979 1.00 0.00 C ATOM 474 CG GLU A 33 -12.776 -7.986 9.958 1.00 0.00 C ATOM 475 CD GLU A 33 -14.069 -7.359 9.473 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.224 -7.194 8.245 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.925 -7.034 10.321 1.00 0.00 O ATOM 0 H GLU A 33 -8.628 -8.193 9.650 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.984 -9.787 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.186 -6.810 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.026 -7.798 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.933 -9.052 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.504 -7.552 10.920 1.00 0.00 H new ATOM 484 N ASN A 34 -10.640 -9.819 6.871 1.00 0.00 N ATOM 485 CA ASN A 34 -10.157 -10.132 5.531 1.00 0.00 C ATOM 486 C ASN A 34 -11.121 -9.611 4.469 1.00 0.00 C ATOM 487 O ASN A 34 -11.994 -10.340 3.998 1.00 0.00 O ATOM 488 CB ASN A 34 -9.973 -11.643 5.372 1.00 0.00 C ATOM 489 CG ASN A 34 -11.029 -12.435 6.119 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.142 -11.955 6.338 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.683 -13.655 6.514 1.00 0.00 N ATOM 0 H ASN A 34 -11.568 -10.187 7.081 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.194 -9.639 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.010 -11.901 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.985 -11.926 5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.351 -14.236 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.749 -14.011 6.310 1.00 0.00 H new ATOM 498 N ILE A 35 -10.955 -8.346 4.097 1.00 0.00 N ATOM 499 CA ILE A 35 -11.809 -7.729 3.090 1.00 0.00 C ATOM 500 C ILE A 35 -10.979 -7.071 1.993 1.00 0.00 C ATOM 501 O ILE A 35 -9.850 -6.630 2.214 1.00 0.00 O ATOM 502 CB ILE A 35 -12.743 -6.674 3.714 1.00 0.00 C ATOM 503 CG1 ILE A 35 -11.924 -5.573 4.391 1.00 0.00 C ATOM 504 CG2 ILE A 35 -13.689 -7.327 4.710 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.603 -4.222 4.380 1.00 0.00 C ATOM 0 H ILE A 35 -10.237 -7.729 4.478 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.412 -8.527 2.657 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.338 -6.222 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.725 -5.862 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.959 -5.490 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.342 -6.569 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.292 -8.078 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.111 -7.803 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.966 -3.490 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.778 -3.911 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.556 -4.289 4.906 1.00 0.00 H new ATOM 517 N PRO A 36 -11.548 -7.002 0.781 1.00 0.00 N ATOM 518 CA PRO A 36 -10.879 -6.397 -0.375 1.00 0.00 C ATOM 519 C PRO A 36 -10.747 -4.884 -0.242 1.00 0.00 C ATOM 520 O PRO A 36 -11.744 -4.166 -0.188 1.00 0.00 O ATOM 521 CB PRO A 36 -11.801 -6.753 -1.544 1.00 0.00 C ATOM 522 CG PRO A 36 -13.142 -6.942 -0.925 1.00 0.00 C ATOM 523 CD PRO A 36 -12.890 -7.507 0.446 1.00 0.00 C ATOM 0 HA PRO A 36 -9.859 -6.762 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.818 -5.959 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.467 -7.659 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.680 -5.996 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.754 -7.620 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.637 -7.169 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.920 -8.597 0.444 1.00 0.00 H new ATOM 531 N GLY A 37 -9.507 -4.405 -0.189 1.00 0.00 N ATOM 532 CA GLY A 37 -9.268 -2.979 -0.064 1.00 0.00 C ATOM 533 C GLY A 37 -8.474 -2.420 -1.228 1.00 0.00 C ATOM 534 O GLY A 37 -7.829 -3.165 -1.965 1.00 0.00 O ATOM 0 H GLY A 37 -8.665 -4.979 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.223 -2.458 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.732 -2.784 0.865 1.00 0.00 H new ATOM 538 N LYS A 38 -8.522 -1.103 -1.395 1.00 0.00 N ATOM 539 CA LYS A 38 -7.802 -0.442 -2.478 1.00 0.00 C ATOM 540 C LYS A 38 -6.849 0.616 -1.932 1.00 0.00 C ATOM 541 O LYS A 38 -7.180 1.336 -0.990 1.00 0.00 O ATOM 542 CB LYS A 38 -8.789 0.201 -3.456 1.00 0.00 C ATOM 543 CG LYS A 38 -9.819 1.091 -2.783 1.00 0.00 C ATOM 544 CD LYS A 38 -10.997 1.373 -3.700 1.00 0.00 C ATOM 545 CE LYS A 38 -10.592 2.256 -4.871 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.383 3.670 -4.454 1.00 0.00 N ATOM 0 H LYS A 38 -9.052 -0.472 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.216 -1.196 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.233 0.790 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.305 -0.585 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.174 0.612 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.352 2.031 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.401 0.433 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.792 1.859 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.675 1.870 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.363 2.215 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.225 4.260 -5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.224 4.010 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.554 3.729 -3.829 1.00 0.00 H new ATOM 560 N TRP A 39 -5.666 0.705 -2.530 1.00 0.00 N ATOM 561 CA TRP A 39 -4.666 1.676 -2.103 1.00 0.00 C ATOM 562 C TRP A 39 -4.837 2.996 -2.847 1.00 0.00 C ATOM 563 O TRP A 39 -5.343 3.028 -3.969 1.00 0.00 O ATOM 564 CB TRP A 39 -3.258 1.125 -2.336 1.00 0.00 C ATOM 565 CG TRP A 39 -3.028 -0.208 -1.691 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.709 -1.366 -1.936 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.051 -0.519 -0.692 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.213 -2.378 -1.150 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.195 -1.885 -0.378 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.066 0.223 -0.033 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.393 -2.521 0.565 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.271 -0.410 0.904 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.437 -1.770 1.195 1.00 0.00 C ATOM 0 H TRP A 39 -5.376 0.117 -3.311 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.806 1.859 -1.038 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.083 1.037 -3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.528 1.838 -1.951 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.518 -1.471 -2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.549 -3.341 -1.143 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.929 1.272 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.520 -3.569 0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.491 0.154 1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.202 -2.236 1.931 1.00 0.00 H new ATOM 584 N THR A 40 -4.413 4.086 -2.215 1.00 0.00 N ATOM 585 CA THR A 40 -4.521 5.409 -2.816 1.00 0.00 C ATOM 586 C THR A 40 -3.308 6.268 -2.477 1.00 0.00 C ATOM 587 O THR A 40 -2.892 6.345 -1.321 1.00 0.00 O ATOM 588 CB THR A 40 -5.796 6.136 -2.350 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.893 6.088 -0.922 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.035 5.506 -2.969 1.00 0.00 C ATOM 0 H THR A 40 -3.991 4.078 -1.286 1.00 0.00 H new ATOM 0 HA THR A 40 -4.569 5.262 -3.895 1.00 0.00 H new ATOM 0 HB THR A 40 -5.735 7.175 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.705 6.554 -0.633 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.923 6.036 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.972 5.570 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.099 4.460 -2.670 1.00 0.00 H new ATOM 598 N LYS A 41 -2.743 6.914 -3.492 1.00 0.00 N ATOM 599 CA LYS A 41 -1.578 7.770 -3.302 1.00 0.00 C ATOM 600 C LYS A 41 -1.960 9.242 -3.419 1.00 0.00 C ATOM 601 O LYS A 41 -2.808 9.610 -4.230 1.00 0.00 O ATOM 602 CB LYS A 41 -0.496 7.429 -4.329 1.00 0.00 C ATOM 603 CG LYS A 41 0.484 6.372 -3.852 1.00 0.00 C ATOM 604 CD LYS A 41 1.141 5.653 -5.018 1.00 0.00 C ATOM 605 CE LYS A 41 2.323 6.439 -5.563 1.00 0.00 C ATOM 606 NZ LYS A 41 2.626 6.078 -6.976 1.00 0.00 N ATOM 0 H LYS A 41 -3.074 6.861 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.187 7.593 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.973 7.083 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.054 8.336 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.250 6.838 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.037 5.649 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.476 4.667 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.409 5.499 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.110 7.506 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.200 6.251 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.346 6.727 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.984 5.103 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.760 6.152 -7.547 1.00 0.00 H new ATOM 620 N ASN A 42 -1.325 10.079 -2.605 1.00 0.00 N ATOM 621 CA ASN A 42 -1.598 11.512 -2.619 1.00 0.00 C ATOM 622 C ASN A 42 -3.084 11.781 -2.837 1.00 0.00 C ATOM 623 O ASN A 42 -3.460 12.746 -3.500 1.00 0.00 O ATOM 624 CB ASN A 42 -0.778 12.198 -3.713 1.00 0.00 C ATOM 625 CG ASN A 42 -0.558 11.303 -4.917 1.00 0.00 C ATOM 626 OD1 ASN A 42 -1.480 11.050 -5.693 1.00 0.00 O ATOM 627 ND2 ASN A 42 0.668 10.819 -5.078 1.00 0.00 N ATOM 0 H ASN A 42 -0.619 9.790 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.312 11.920 -1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.288 13.108 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.187 12.498 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.876 10.211 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.401 11.055 -4.410 1.00 0.00 H new ATOM 634 N GLY A 43 -3.925 10.919 -2.273 1.00 0.00 N ATOM 635 CA GLY A 43 -5.360 11.081 -2.417 1.00 0.00 C ATOM 636 C GLY A 43 -5.844 10.751 -3.815 1.00 0.00 C ATOM 637 O GLY A 43 -6.737 11.414 -4.343 1.00 0.00 O ATOM 0 H GLY A 43 -3.638 10.112 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.869 10.438 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.633 12.108 -2.175 1.00 0.00 H new ATOM 641 N LEU A 44 -5.251 9.726 -4.417 1.00 0.00 N ATOM 642 CA LEU A 44 -5.626 9.310 -5.765 1.00 0.00 C ATOM 643 C LEU A 44 -5.690 7.789 -5.867 1.00 0.00 C ATOM 644 O LEU A 44 -4.899 7.068 -5.258 1.00 0.00 O ATOM 645 CB LEU A 44 -4.628 9.860 -6.785 1.00 0.00 C ATOM 646 CG LEU A 44 -3.429 8.964 -7.102 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.865 7.761 -7.923 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.354 9.752 -7.835 1.00 0.00 C ATOM 0 H LEU A 44 -4.509 9.168 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.616 9.712 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.162 10.061 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.255 10.816 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.010 8.604 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.999 7.135 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.599 7.184 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.310 8.101 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.509 9.099 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.761 10.142 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.021 10.581 -7.210 1.00 0.00 H new ATOM 660 N PRO A 45 -6.651 7.289 -6.658 1.00 0.00 N ATOM 661 CA PRO A 45 -6.839 5.850 -6.861 1.00 0.00 C ATOM 662 C PRO A 45 -5.710 5.227 -7.675 1.00 0.00 C ATOM 663 O PRO A 45 -5.590 5.469 -8.876 1.00 0.00 O ATOM 664 CB PRO A 45 -8.160 5.770 -7.631 1.00 0.00 C ATOM 665 CG PRO A 45 -8.274 7.083 -8.325 1.00 0.00 C ATOM 666 CD PRO A 45 -7.628 8.090 -7.414 1.00 0.00 C ATOM 0 HA PRO A 45 -6.845 5.303 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.154 4.945 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.001 5.604 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.775 7.057 -9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.318 7.337 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.144 8.888 -7.977 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.357 8.561 -6.755 1.00 0.00 H new ATOM 674 N VAL A 46 -4.884 4.423 -7.013 1.00 0.00 N ATOM 675 CA VAL A 46 -3.765 3.763 -7.676 1.00 0.00 C ATOM 676 C VAL A 46 -4.250 2.650 -8.597 1.00 0.00 C ATOM 677 O VAL A 46 -5.168 1.905 -8.256 1.00 0.00 O ATOM 678 CB VAL A 46 -2.776 3.173 -6.653 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.587 2.542 -7.362 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.316 4.246 -5.677 1.00 0.00 C ATOM 0 H VAL A 46 -4.968 4.213 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.255 4.523 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.287 2.394 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.899 2.131 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.936 1.744 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.073 3.299 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.618 3.812 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.822 5.048 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.178 4.647 -5.145 1.00 0.00 H new ATOM 690 N GLN A 47 -3.628 2.545 -9.767 1.00 0.00 N ATOM 691 CA GLN A 47 -3.997 1.522 -10.738 1.00 0.00 C ATOM 692 C GLN A 47 -2.900 0.470 -10.866 1.00 0.00 C ATOM 693 O GLN A 47 -1.901 0.684 -11.552 1.00 0.00 O ATOM 694 CB GLN A 47 -4.271 2.159 -12.102 1.00 0.00 C ATOM 695 CG GLN A 47 -3.450 3.411 -12.364 1.00 0.00 C ATOM 696 CD GLN A 47 -3.878 4.581 -11.500 1.00 0.00 C ATOM 697 OE1 GLN A 47 -5.068 4.863 -11.363 1.00 0.00 O ATOM 698 NE2 GLN A 47 -2.906 5.269 -10.912 1.00 0.00 N ATOM 0 H GLN A 47 -2.867 3.155 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.904 1.032 -10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.063 1.428 -12.883 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.330 2.408 -12.172 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.397 3.195 -12.181 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.541 3.687 -13.414 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.933 4.999 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.133 6.067 -10.319 1.00 0.00 H new ATOM 707 N GLU A 48 -3.093 -0.664 -10.200 1.00 0.00 N ATOM 708 CA GLU A 48 -2.118 -1.748 -10.239 1.00 0.00 C ATOM 709 C GLU A 48 -1.704 -2.055 -11.675 1.00 0.00 C ATOM 710 O GLU A 48 -2.510 -1.957 -12.600 1.00 0.00 O ATOM 711 CB GLU A 48 -2.693 -3.004 -9.582 1.00 0.00 C ATOM 712 CG GLU A 48 -2.932 -2.856 -8.089 1.00 0.00 C ATOM 713 CD GLU A 48 -4.299 -2.284 -7.771 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.290 -3.041 -7.838 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.379 -1.078 -7.454 1.00 0.00 O ATOM 0 H GLU A 48 -3.915 -0.856 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.235 -1.429 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.634 -3.259 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.011 -3.837 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.829 -3.830 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.164 -2.210 -7.664 1.00 0.00 H new ATOM 722 N SER A 49 -0.441 -2.428 -11.853 1.00 0.00 N ATOM 723 CA SER A 49 0.083 -2.746 -13.177 1.00 0.00 C ATOM 724 C SER A 49 1.107 -3.874 -13.099 1.00 0.00 C ATOM 725 O SER A 49 1.366 -4.419 -12.025 1.00 0.00 O ATOM 726 CB SER A 49 0.720 -1.507 -13.808 1.00 0.00 C ATOM 727 OG SER A 49 -0.241 -0.486 -14.009 1.00 0.00 O ATOM 0 H SER A 49 0.239 -2.518 -11.098 1.00 0.00 H new ATOM 0 HA SER A 49 -0.748 -3.075 -13.800 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.519 -1.137 -13.165 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.176 -1.774 -14.761 1.00 0.00 H new ATOM 0 HG SER A 49 0.192 0.296 -14.412 1.00 0.00 H new ATOM 733 N ASP A 50 1.686 -4.219 -14.243 1.00 0.00 N ATOM 734 CA ASP A 50 2.683 -5.282 -14.306 1.00 0.00 C ATOM 735 C ASP A 50 3.712 -5.128 -13.191 1.00 0.00 C ATOM 736 O ASP A 50 4.241 -6.116 -12.680 1.00 0.00 O ATOM 737 CB ASP A 50 3.382 -5.274 -15.666 1.00 0.00 C ATOM 738 CG ASP A 50 2.434 -5.587 -16.807 1.00 0.00 C ATOM 739 OD1 ASP A 50 1.417 -4.875 -16.945 1.00 0.00 O ATOM 740 OD2 ASP A 50 2.707 -6.544 -17.561 1.00 0.00 O ATOM 0 H ASP A 50 1.482 -3.778 -15.140 1.00 0.00 H new ATOM 0 HA ASP A 50 2.171 -6.235 -14.175 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.836 -4.297 -15.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.191 -6.004 -15.659 1.00 0.00 H new ATOM 745 N ARG A 51 3.992 -3.884 -12.818 1.00 0.00 N ATOM 746 CA ARG A 51 4.960 -3.601 -11.764 1.00 0.00 C ATOM 747 C ARG A 51 4.288 -3.608 -10.394 1.00 0.00 C ATOM 748 O ARG A 51 4.659 -4.385 -9.513 1.00 0.00 O ATOM 749 CB ARG A 51 5.631 -2.249 -12.009 1.00 0.00 C ATOM 750 CG ARG A 51 6.577 -2.244 -13.199 1.00 0.00 C ATOM 751 CD ARG A 51 5.829 -2.028 -14.505 1.00 0.00 C ATOM 752 NE ARG A 51 5.315 -0.666 -14.622 1.00 0.00 N ATOM 753 CZ ARG A 51 6.052 0.366 -15.017 1.00 0.00 C ATOM 754 NH1 ARG A 51 7.328 0.192 -15.331 1.00 0.00 N ATOM 755 NH2 ARG A 51 5.512 1.575 -15.099 1.00 0.00 N ATOM 0 H ARG A 51 3.563 -3.055 -13.230 1.00 0.00 H new ATOM 0 HA ARG A 51 5.719 -4.383 -11.781 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.861 -1.494 -12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.184 -1.960 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.321 -1.458 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.117 -3.190 -13.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.494 -2.238 -15.343 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.002 -2.735 -14.570 1.00 0.00 H new ATOM 0 HE ARG A 51 4.337 -0.498 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.746 -0.736 -15.270 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.892 0.986 -15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.530 1.712 -14.859 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.079 2.367 -15.402 1.00 0.00 H new ATOM 769 N LEU A 52 3.300 -2.737 -10.221 1.00 0.00 N ATOM 770 CA LEU A 52 2.577 -2.641 -8.958 1.00 0.00 C ATOM 771 C LEU A 52 1.629 -3.823 -8.782 1.00 0.00 C ATOM 772 O LEU A 52 0.582 -3.895 -9.427 1.00 0.00 O ATOM 773 CB LEU A 52 1.793 -1.330 -8.894 1.00 0.00 C ATOM 774 CG LEU A 52 1.481 -0.801 -7.493 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.124 0.676 -7.547 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.352 -1.602 -6.861 1.00 0.00 C ATOM 0 H LEU A 52 2.981 -2.087 -10.940 1.00 0.00 H new ATOM 0 HA LEU A 52 3.306 -2.660 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.356 -0.567 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.852 -1.466 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 52 2.372 -0.915 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.905 1.034 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.962 1.238 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.248 0.816 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.143 -1.212 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.543 -1.519 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.646 -2.649 -6.787 1.00 0.00 H new ATOM 788 N LYS A 53 2.001 -4.748 -7.904 1.00 0.00 N ATOM 789 CA LYS A 53 1.183 -5.926 -7.640 1.00 0.00 C ATOM 790 C LYS A 53 0.607 -5.883 -6.228 1.00 0.00 C ATOM 791 O LYS A 53 1.322 -5.609 -5.264 1.00 0.00 O ATOM 792 CB LYS A 53 2.011 -7.200 -7.826 1.00 0.00 C ATOM 793 CG LYS A 53 1.169 -8.453 -7.994 1.00 0.00 C ATOM 794 CD LYS A 53 0.830 -8.706 -9.453 1.00 0.00 C ATOM 795 CE LYS A 53 1.918 -9.511 -10.147 1.00 0.00 C ATOM 796 NZ LYS A 53 2.962 -8.633 -10.743 1.00 0.00 N ATOM 0 H LYS A 53 2.864 -4.705 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 53 0.357 -5.930 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.651 -7.083 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.667 -7.326 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.707 -9.311 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.249 -8.354 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.118 -9.240 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.697 -7.754 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.380 -10.190 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.472 -10.127 -10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.173 -8.952 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.617 -7.652 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.826 -8.680 -10.166 1.00 0.00 H new ATOM 810 N VAL A 54 -0.688 -6.157 -6.113 1.00 0.00 N ATOM 811 CA VAL A 54 -1.359 -6.153 -4.818 1.00 0.00 C ATOM 812 C VAL A 54 -1.804 -7.557 -4.425 1.00 0.00 C ATOM 813 O VAL A 54 -2.829 -8.049 -4.896 1.00 0.00 O ATOM 814 CB VAL A 54 -2.585 -5.220 -4.825 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.271 -5.231 -3.467 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.177 -3.807 -5.214 1.00 0.00 C ATOM 0 H VAL A 54 -1.294 -6.385 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.637 -5.787 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.295 -5.586 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.135 -4.566 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.599 -6.244 -3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.572 -4.890 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.055 -3.162 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.448 -3.428 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.735 -3.817 -6.210 1.00 0.00 H new ATOM 826 N VAL A 55 -1.027 -8.197 -3.558 1.00 0.00 N ATOM 827 CA VAL A 55 -1.341 -9.545 -3.099 1.00 0.00 C ATOM 828 C VAL A 55 -2.198 -9.510 -1.838 1.00 0.00 C ATOM 829 O VAL A 55 -2.008 -8.659 -0.970 1.00 0.00 O ATOM 830 CB VAL A 55 -0.062 -10.354 -2.814 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.411 -11.750 -2.322 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.813 -10.421 -4.057 1.00 0.00 C ATOM 0 H VAL A 55 -0.175 -7.804 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.898 -10.030 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 55 0.500 -9.848 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.506 -12.306 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.994 -11.677 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.995 -12.269 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.713 -10.996 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.262 -10.903 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.092 -9.412 -4.360 1.00 0.00 H new ATOM 842 N GLN A 56 -3.142 -10.441 -1.745 1.00 0.00 N ATOM 843 CA GLN A 56 -4.029 -10.517 -0.590 1.00 0.00 C ATOM 844 C GLN A 56 -3.718 -11.747 0.255 1.00 0.00 C ATOM 845 O GLN A 56 -3.541 -12.846 -0.270 1.00 0.00 O ATOM 846 CB GLN A 56 -5.490 -10.551 -1.044 1.00 0.00 C ATOM 847 CG GLN A 56 -6.451 -9.924 -0.047 1.00 0.00 C ATOM 848 CD GLN A 56 -7.852 -10.491 -0.151 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.205 -11.128 -1.145 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.662 -10.264 0.877 1.00 0.00 N ATOM 0 H GLN A 56 -3.312 -11.153 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.866 -9.629 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.578 -10.030 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.784 -11.586 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.074 -10.081 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.486 -8.847 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.329 -9.731 1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.617 -10.622 0.863 1.00 0.00 H new ATOM 859 N LYS A 57 -3.652 -11.555 1.568 1.00 0.00 N ATOM 860 CA LYS A 57 -3.363 -12.649 2.489 1.00 0.00 C ATOM 861 C LYS A 57 -4.368 -12.674 3.636 1.00 0.00 C ATOM 862 O LYS A 57 -4.950 -11.649 3.987 1.00 0.00 O ATOM 863 CB LYS A 57 -1.943 -12.514 3.043 1.00 0.00 C ATOM 864 CG LYS A 57 -0.867 -12.982 2.079 1.00 0.00 C ATOM 865 CD LYS A 57 -0.924 -14.485 1.866 1.00 0.00 C ATOM 866 CE LYS A 57 0.333 -14.999 1.180 1.00 0.00 C ATOM 867 NZ LYS A 57 0.274 -16.468 0.944 1.00 0.00 N ATOM 0 H LYS A 57 -3.795 -10.651 2.019 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.444 -13.586 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.760 -11.471 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.866 -13.088 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.988 -12.473 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.114 -12.705 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.046 -14.985 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.797 -14.735 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.464 -14.483 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.203 -14.764 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.148 -16.780 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.174 -16.962 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.542 -16.690 0.338 1.00 0.00 H new ATOM 881 N GLY A 58 -4.566 -13.853 4.218 1.00 0.00 N ATOM 882 CA GLY A 58 -5.500 -13.990 5.320 1.00 0.00 C ATOM 883 C GLY A 58 -5.399 -12.846 6.310 1.00 0.00 C ATOM 884 O GLY A 58 -4.518 -12.836 7.169 1.00 0.00 O ATOM 0 H GLY A 58 -4.096 -14.716 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.516 -14.039 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.312 -14.931 5.837 1.00 0.00 H new ATOM 888 N ARG A 59 -6.303 -11.879 6.188 1.00 0.00 N ATOM 889 CA ARG A 59 -6.310 -10.724 7.077 1.00 0.00 C ATOM 890 C ARG A 59 -4.992 -9.960 6.988 1.00 0.00 C ATOM 891 O ARG A 59 -4.443 -9.529 8.002 1.00 0.00 O ATOM 892 CB ARG A 59 -6.559 -11.166 8.520 1.00 0.00 C ATOM 893 CG ARG A 59 -7.926 -11.792 8.738 1.00 0.00 C ATOM 894 CD ARG A 59 -8.021 -12.464 10.099 1.00 0.00 C ATOM 895 NE ARG A 59 -7.129 -13.615 10.204 1.00 0.00 N ATOM 896 CZ ARG A 59 -7.108 -14.436 11.248 1.00 0.00 C ATOM 897 NH1 ARG A 59 -7.928 -14.234 12.271 1.00 0.00 N ATOM 898 NH2 ARG A 59 -6.268 -15.463 11.270 1.00 0.00 N ATOM 0 H ARG A 59 -7.040 -11.873 5.482 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.116 -10.061 6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.790 -11.883 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.455 -10.304 9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.696 -11.025 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.121 -12.525 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.775 -11.742 10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.048 -12.784 10.274 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.487 -13.799 9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.577 -13.447 12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.910 -14.866 13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.637 -15.623 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.253 -16.093 12.072 1.00 0.00 H new ATOM 912 N ILE A 60 -4.489 -9.799 5.768 1.00 0.00 N ATOM 913 CA ILE A 60 -3.236 -9.087 5.547 1.00 0.00 C ATOM 914 C ILE A 60 -3.130 -8.594 4.108 1.00 0.00 C ATOM 915 O ILE A 60 -3.294 -9.366 3.162 1.00 0.00 O ATOM 916 CB ILE A 60 -2.020 -9.978 5.864 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.079 -10.463 7.313 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.727 -9.219 5.606 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.879 -11.288 7.724 1.00 0.00 C ATOM 0 H ILE A 60 -4.930 -10.152 4.918 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.235 -8.231 6.222 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.045 -10.849 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.160 -9.600 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.983 -11.056 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.124 -9.861 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.684 -8.919 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.693 -8.333 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.989 -11.598 8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.809 -12.170 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.027 -10.691 7.617 1.00 0.00 H new ATOM 931 N HIS A 61 -2.854 -7.304 3.949 1.00 0.00 N ATOM 932 CA HIS A 61 -2.723 -6.708 2.624 1.00 0.00 C ATOM 933 C HIS A 61 -1.268 -6.362 2.325 1.00 0.00 C ATOM 934 O HIS A 61 -0.621 -5.638 3.083 1.00 0.00 O ATOM 935 CB HIS A 61 -3.589 -5.452 2.520 1.00 0.00 C ATOM 936 CG HIS A 61 -5.022 -5.738 2.191 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.477 -5.918 0.902 1.00 0.00 N ATOM 938 CD2 HIS A 61 -6.104 -5.877 2.993 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.777 -6.153 0.924 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.181 -6.135 2.181 1.00 0.00 N ATOM 0 H HIS A 61 -2.717 -6.651 4.721 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.063 -7.438 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.543 -4.910 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.173 -4.796 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.118 -5.799 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.402 -6.330 0.061 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.138 -6.288 2.498 1.00 0.00 H new ATOM 949 N LYS A 62 -0.757 -6.886 1.216 1.00 0.00 N ATOM 950 CA LYS A 62 0.622 -6.634 0.815 1.00 0.00 C ATOM 951 C LYS A 62 0.676 -5.941 -0.543 1.00 0.00 C ATOM 952 O LYS A 62 -0.182 -6.162 -1.399 1.00 0.00 O ATOM 953 CB LYS A 62 1.408 -7.946 0.762 1.00 0.00 C ATOM 954 CG LYS A 62 2.869 -7.765 0.389 1.00 0.00 C ATOM 955 CD LYS A 62 3.478 -9.059 -0.124 1.00 0.00 C ATOM 956 CE LYS A 62 3.359 -10.176 0.902 1.00 0.00 C ATOM 957 NZ LYS A 62 4.015 -11.430 0.436 1.00 0.00 N ATOM 0 H LYS A 62 -1.278 -7.488 0.578 1.00 0.00 H new ATOM 0 HA LYS A 62 1.075 -5.976 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.348 -8.435 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.937 -8.613 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.957 -6.992 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.427 -7.419 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.980 -9.356 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.528 -8.897 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.812 -9.857 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.306 -10.371 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.912 -12.167 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.566 -11.749 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.025 -11.251 0.266 1.00 0.00 H new ATOM 971 N LEU A 63 1.690 -5.105 -0.736 1.00 0.00 N ATOM 972 CA LEU A 63 1.856 -4.381 -1.992 1.00 0.00 C ATOM 973 C LEU A 63 3.332 -4.126 -2.282 1.00 0.00 C ATOM 974 O LEU A 63 3.974 -3.311 -1.619 1.00 0.00 O ATOM 975 CB LEU A 63 1.098 -3.054 -1.943 1.00 0.00 C ATOM 976 CG LEU A 63 1.133 -2.213 -3.220 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.061 -1.273 -3.273 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.435 -1.430 -3.306 1.00 0.00 C ATOM 0 H LEU A 63 2.410 -4.912 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 63 1.448 -4.996 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.057 -3.262 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.504 -2.456 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 63 1.078 -2.885 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.019 -0.683 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.983 -1.854 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.038 -0.607 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.443 -0.837 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.519 -0.768 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.276 -2.123 -3.315 1.00 0.00 H new ATOM 990 N VAL A 64 3.864 -4.828 -3.278 1.00 0.00 N ATOM 991 CA VAL A 64 5.263 -4.675 -3.658 1.00 0.00 C ATOM 992 C VAL A 64 5.395 -4.306 -5.132 1.00 0.00 C ATOM 993 O VAL A 64 4.821 -4.964 -6.000 1.00 0.00 O ATOM 994 CB VAL A 64 6.061 -5.965 -3.390 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.638 -6.590 -2.069 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.885 -6.949 -4.536 1.00 0.00 C ATOM 0 H VAL A 64 3.347 -5.508 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 64 5.671 -3.870 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 64 7.118 -5.709 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.212 -7.500 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.822 -5.886 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.576 -6.833 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.456 -7.854 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.830 -7.201 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.243 -6.498 -5.461 1.00 0.00 H new ATOM 1006 N ILE A 65 6.155 -3.252 -5.406 1.00 0.00 N ATOM 1007 CA ILE A 65 6.364 -2.797 -6.775 1.00 0.00 C ATOM 1008 C ILE A 65 7.658 -3.361 -7.351 1.00 0.00 C ATOM 1009 O ILE A 65 8.663 -3.476 -6.650 1.00 0.00 O ATOM 1010 CB ILE A 65 6.406 -1.259 -6.857 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.349 -0.648 -5.936 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.196 -0.799 -8.292 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.282 0.861 -6.010 1.00 0.00 C ATOM 0 H ILE A 65 6.636 -2.697 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 65 5.520 -3.161 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 65 7.388 -0.919 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.373 -1.060 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.559 -0.944 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.228 0.290 -8.334 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.983 -1.210 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.226 -1.147 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.511 1.225 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.246 1.282 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.041 1.165 -7.029 1.00 0.00 H new ATOM 1025 N ALA A 66 7.626 -3.711 -8.633 1.00 0.00 N ATOM 1026 CA ALA A 66 8.797 -4.260 -9.304 1.00 0.00 C ATOM 1027 C ALA A 66 10.002 -3.339 -9.147 1.00 0.00 C ATOM 1028 O ALA A 66 10.945 -3.653 -8.423 1.00 0.00 O ATOM 1029 CB ALA A 66 8.499 -4.495 -10.778 1.00 0.00 C ATOM 0 H ALA A 66 6.802 -3.624 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 66 9.039 -5.214 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.383 -4.905 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.672 -5.198 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.229 -3.550 -11.250 1.00 0.00 H new ATOM 1035 N ASN A 67 9.964 -2.200 -9.831 1.00 0.00 N ATOM 1036 CA ASN A 67 11.054 -1.233 -9.768 1.00 0.00 C ATOM 1037 C ASN A 67 10.564 0.104 -9.223 1.00 0.00 C ATOM 1038 O ASN A 67 9.706 0.754 -9.821 1.00 0.00 O ATOM 1039 CB ASN A 67 11.669 -1.036 -11.155 1.00 0.00 C ATOM 1040 CG ASN A 67 12.155 -2.339 -11.763 1.00 0.00 C ATOM 1041 OD1 ASN A 67 11.419 -3.011 -12.485 1.00 0.00 O ATOM 1042 ND2 ASN A 67 13.399 -2.700 -11.471 1.00 0.00 N ATOM 0 H ASN A 67 9.190 -1.924 -10.435 1.00 0.00 H new ATOM 0 HA ASN A 67 11.815 -1.624 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.930 -0.583 -11.816 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.503 -0.338 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.781 -3.567 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.973 -2.111 -10.868 1.00 0.00 H new ATOM 1049 N ALA A 68 11.115 0.510 -8.084 1.00 0.00 N ATOM 1050 CA ALA A 68 10.737 1.771 -7.458 1.00 0.00 C ATOM 1051 C ALA A 68 11.081 2.955 -8.357 1.00 0.00 C ATOM 1052 O ALA A 68 12.224 3.108 -8.788 1.00 0.00 O ATOM 1053 CB ALA A 68 11.420 1.916 -6.107 1.00 0.00 C ATOM 0 H ALA A 68 11.825 -0.017 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 68 9.657 1.764 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.128 2.862 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.121 1.093 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.501 1.897 -6.242 1.00 0.00 H new ATOM 1059 N LEU A 69 10.085 3.789 -8.635 1.00 0.00 N ATOM 1060 CA LEU A 69 10.283 4.959 -9.484 1.00 0.00 C ATOM 1061 C LEU A 69 10.052 6.246 -8.698 1.00 0.00 C ATOM 1062 O LEU A 69 9.433 6.235 -7.634 1.00 0.00 O ATOM 1063 CB LEU A 69 9.339 4.906 -10.686 1.00 0.00 C ATOM 1064 CG LEU A 69 9.685 3.882 -11.767 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.463 3.568 -12.616 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.826 4.389 -12.638 1.00 0.00 C ATOM 0 H LEU A 69 9.133 3.677 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 69 11.314 4.951 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.333 4.696 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.312 5.894 -11.145 1.00 0.00 H new ATOM 0 HG LEU A 69 10.009 2.963 -11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.729 2.837 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.675 3.161 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.108 4.481 -13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.058 3.647 -13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.531 5.323 -13.117 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.707 4.561 -12.020 1.00 0.00 H new ATOM 1078 N THR A 70 10.553 7.356 -9.231 1.00 0.00 N ATOM 1079 CA THR A 70 10.401 8.652 -8.581 1.00 0.00 C ATOM 1080 C THR A 70 8.930 9.017 -8.419 1.00 0.00 C ATOM 1081 O THR A 70 8.579 9.863 -7.597 1.00 0.00 O ATOM 1082 CB THR A 70 11.110 9.765 -9.376 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.986 9.520 -10.781 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.581 9.847 -8.998 1.00 0.00 C ATOM 0 H THR A 70 11.068 7.383 -10.111 1.00 0.00 H new ATOM 0 HA THR A 70 10.862 8.568 -7.597 1.00 0.00 H new ATOM 0 HB THR A 70 10.635 10.715 -9.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.438 10.233 -11.279 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.061 10.640 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.672 10.064 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.066 8.896 -9.217 1.00 0.00 H new ATOM 1092 N GLU A 71 8.075 8.373 -9.207 1.00 0.00 N ATOM 1093 CA GLU A 71 6.641 8.631 -9.149 1.00 0.00 C ATOM 1094 C GLU A 71 5.984 7.805 -8.046 1.00 0.00 C ATOM 1095 O GLU A 71 4.826 8.032 -7.693 1.00 0.00 O ATOM 1096 CB GLU A 71 5.988 8.314 -10.496 1.00 0.00 C ATOM 1097 CG GLU A 71 6.138 6.862 -10.918 1.00 0.00 C ATOM 1098 CD GLU A 71 5.019 5.983 -10.393 1.00 0.00 C ATOM 1099 OE1 GLU A 71 4.167 6.497 -9.639 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.995 4.783 -10.736 1.00 0.00 O ATOM 0 H GLU A 71 8.350 7.669 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 71 6.497 9.688 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.928 8.561 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.426 8.953 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.160 6.804 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.094 6.480 -10.559 1.00 0.00 H new ATOM 1107 N ASP A 72 6.730 6.848 -7.507 1.00 0.00 N ATOM 1108 CA ASP A 72 6.222 5.989 -6.444 1.00 0.00 C ATOM 1109 C ASP A 72 6.354 6.669 -5.085 1.00 0.00 C ATOM 1110 O ASP A 72 5.721 6.261 -4.113 1.00 0.00 O ATOM 1111 CB ASP A 72 6.970 4.655 -6.436 1.00 0.00 C ATOM 1112 CG ASP A 72 6.879 3.932 -7.766 1.00 0.00 C ATOM 1113 OD1 ASP A 72 6.331 4.517 -8.723 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.356 2.781 -7.849 1.00 0.00 O ATOM 0 H ASP A 72 7.690 6.647 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 72 5.165 5.803 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.018 4.831 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.563 4.018 -5.651 1.00 0.00 H new ATOM 1119 N GLU A 73 7.184 7.706 -5.027 1.00 0.00 N ATOM 1120 CA GLU A 73 7.400 8.441 -3.786 1.00 0.00 C ATOM 1121 C GLU A 73 6.233 9.382 -3.499 1.00 0.00 C ATOM 1122 O GLU A 73 5.754 10.082 -4.390 1.00 0.00 O ATOM 1123 CB GLU A 73 8.705 9.237 -3.860 1.00 0.00 C ATOM 1124 CG GLU A 73 9.264 9.617 -2.499 1.00 0.00 C ATOM 1125 CD GLU A 73 8.746 10.954 -2.008 1.00 0.00 C ATOM 1126 OE1 GLU A 73 8.862 11.947 -2.757 1.00 0.00 O ATOM 1127 OE2 GLU A 73 8.224 11.009 -0.874 1.00 0.00 O ATOM 0 H GLU A 73 7.717 8.056 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 73 7.469 7.718 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.449 8.650 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.535 10.144 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.006 8.844 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.352 9.651 -2.554 1.00 0.00 H new ATOM 1134 N GLY A 74 5.781 9.390 -2.249 1.00 0.00 N ATOM 1135 CA GLY A 74 4.674 10.247 -1.867 1.00 0.00 C ATOM 1136 C GLY A 74 4.017 9.804 -0.575 1.00 0.00 C ATOM 1137 O GLY A 74 4.686 9.640 0.445 1.00 0.00 O ATOM 0 H GLY A 74 6.161 8.819 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.032 11.270 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.931 10.254 -2.665 1.00 0.00 H new ATOM 1141 N ASP A 75 2.703 9.610 -0.617 1.00 0.00 N ATOM 1142 CA ASP A 75 1.955 9.184 0.560 1.00 0.00 C ATOM 1143 C ASP A 75 1.025 8.023 0.221 1.00 0.00 C ATOM 1144 O ASP A 75 0.144 8.148 -0.631 1.00 0.00 O ATOM 1145 CB ASP A 75 1.147 10.352 1.127 1.00 0.00 C ATOM 1146 CG ASP A 75 2.029 11.429 1.728 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.028 11.807 1.080 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.721 11.894 2.845 1.00 0.00 O ATOM 0 H ASP A 75 2.134 9.741 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 75 2.669 8.847 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.537 10.786 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.462 9.980 1.889 1.00 0.00 H new ATOM 1153 N TYR A 76 1.227 6.895 0.892 1.00 0.00 N ATOM 1154 CA TYR A 76 0.409 5.710 0.659 1.00 0.00 C ATOM 1155 C TYR A 76 -0.690 5.592 1.711 1.00 0.00 C ATOM 1156 O TYR A 76 -0.451 5.797 2.901 1.00 0.00 O ATOM 1157 CB TYR A 76 1.280 4.453 0.673 1.00 0.00 C ATOM 1158 CG TYR A 76 2.026 4.219 -0.622 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.156 4.962 -0.939 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.600 3.256 -1.528 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.841 4.752 -2.121 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.278 3.038 -2.711 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.398 3.789 -3.003 1.00 0.00 C ATOM 1164 OH TYR A 76 4.076 3.576 -4.181 1.00 0.00 O ATOM 0 H TYR A 76 1.950 6.776 1.602 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.059 5.809 -0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.999 4.529 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.651 3.588 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.505 5.717 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.723 2.667 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.718 5.339 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.934 2.284 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 76 4.670 4.335 -4.359 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.896 5.260 1.262 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.033 5.112 2.162 1.00 0.00 C ATOM 1176 C VAL A 77 -3.893 3.916 1.770 1.00 0.00 C ATOM 1177 O VAL A 77 -4.025 3.593 0.590 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.910 6.379 2.171 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.074 6.216 3.137 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.077 7.600 2.529 1.00 0.00 C ATOM 0 H VAL A 77 -2.111 5.088 0.280 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.627 4.952 3.161 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.317 6.525 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.682 7.121 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.684 5.366 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.691 6.044 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.712 8.486 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.640 7.465 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.281 7.726 1.795 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.475 3.261 2.769 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.323 2.098 2.530 1.00 0.00 C ATOM 1192 C PHE A 78 -6.793 2.442 2.750 1.00 0.00 C ATOM 1193 O PHE A 78 -7.140 3.154 3.692 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.914 0.945 3.448 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.797 -0.264 3.322 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.627 -1.156 2.275 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.796 -0.508 4.250 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.439 -2.268 2.157 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -7.611 -1.619 4.137 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.431 -2.501 3.089 1.00 0.00 C ATOM 0 H PHE A 78 -4.375 3.515 3.752 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.192 1.791 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.886 0.659 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.930 1.291 4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.852 -0.980 1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.940 0.178 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.298 -2.955 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.387 -1.797 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 78 -8.065 -3.371 2.999 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.652 1.932 1.874 1.00 0.00 N ATOM 1211 CA ALA A 79 -9.084 2.183 1.972 1.00 0.00 C ATOM 1212 C ALA A 79 -9.885 0.926 1.649 1.00 0.00 C ATOM 1213 O ALA A 79 -10.014 0.523 0.493 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.486 3.320 1.045 1.00 0.00 C ATOM 0 H ALA A 79 -7.380 1.342 1.088 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.307 2.471 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.558 3.496 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.947 4.225 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.241 3.055 0.016 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.438 0.291 2.693 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.236 -0.930 2.545 1.00 0.00 C ATOM 1222 C PRO A 80 -12.578 -0.666 1.870 1.00 0.00 C ATOM 1223 O PRO A 80 -13.187 0.385 2.067 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.445 -1.394 3.988 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.328 -0.154 4.806 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.326 0.715 4.099 1.00 0.00 C ATOM 0 HA PRO A 80 -10.740 -1.668 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.421 -1.862 4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.697 -2.132 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.291 0.350 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.999 -0.384 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.557 1.774 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.318 0.563 4.486 1.00 0.00 H new ATOM 1234 N ASP A 81 -13.033 -1.628 1.074 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.304 -1.500 0.371 1.00 0.00 C ATOM 1236 C ASP A 81 -15.472 -1.830 1.296 1.00 0.00 C ATOM 1237 O ASP A 81 -16.603 -2.008 0.845 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.330 -2.419 -0.851 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.443 -1.916 -1.972 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -13.698 -0.802 -2.477 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -12.493 -2.635 -2.345 1.00 0.00 O ATOM 0 H ASP A 81 -12.541 -2.504 0.900 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.406 -0.466 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.008 -3.418 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.354 -2.508 -1.214 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.189 -1.911 2.592 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.216 -2.218 3.580 1.00 0.00 C ATOM 1248 C ALA A 82 -16.316 -1.116 4.630 1.00 0.00 C ATOM 1249 O ALA A 82 -17.382 -0.881 5.197 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.926 -3.557 4.243 1.00 0.00 C ATOM 0 H ALA A 82 -14.257 -1.768 2.982 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.174 -2.280 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.701 -3.774 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.913 -4.342 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.956 -3.515 4.739 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.198 -0.445 4.883 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.159 0.631 5.867 1.00 0.00 C ATOM 1258 C TYR A 83 -14.507 1.880 5.283 1.00 0.00 C ATOM 1259 O TYR A 83 -14.062 1.883 4.136 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.398 0.181 7.115 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.808 -1.186 7.615 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.310 -2.341 7.026 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.696 -1.321 8.676 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.683 -3.592 7.479 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.073 -2.568 9.136 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.564 -3.700 8.535 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.939 -4.944 8.990 1.00 0.00 O ATOM 0 H TYR A 83 -14.307 -0.627 4.421 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.185 0.874 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.330 0.173 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.555 0.911 7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.619 -2.260 6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.098 -0.437 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.287 -4.480 7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.763 -2.656 9.962 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.337 -5.224 9.711 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.455 2.941 6.082 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.857 4.198 5.646 1.00 0.00 C ATOM 1279 C ASN A 84 -12.502 4.416 6.312 1.00 0.00 C ATOM 1280 O ASN A 84 -11.951 5.516 6.276 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.790 5.368 5.966 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.257 6.690 5.449 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -13.788 6.782 4.314 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -14.326 7.722 6.282 1.00 0.00 N ATOM 0 H ASN A 84 -14.820 2.955 7.034 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.707 4.146 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.770 5.178 5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.930 5.433 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.982 8.637 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.723 7.600 7.214 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.970 3.360 6.919 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.679 3.435 7.592 1.00 0.00 C ATOM 1293 C VAL A 85 -9.596 3.946 6.648 1.00 0.00 C ATOM 1294 O VAL A 85 -9.719 3.838 5.427 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.255 2.062 8.147 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.954 2.180 8.926 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.356 1.477 9.018 1.00 0.00 C ATOM 0 H VAL A 85 -12.413 2.442 6.958 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.794 4.134 8.421 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.089 1.386 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.670 1.200 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.169 2.553 8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.089 2.871 9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.040 0.507 9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.556 2.150 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.262 1.355 8.425 1.00 0.00 H new ATOM 1307 N THR A 86 -8.533 4.502 7.221 1.00 0.00 N ATOM 1308 CA THR A 86 -7.428 5.030 6.431 1.00 0.00 C ATOM 1309 C THR A 86 -6.097 4.837 7.149 1.00 0.00 C ATOM 1310 O THR A 86 -5.890 5.360 8.245 1.00 0.00 O ATOM 1311 CB THR A 86 -7.621 6.527 6.126 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.714 7.268 7.347 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.874 6.753 5.293 1.00 0.00 C ATOM 0 H THR A 86 -8.414 4.598 8.229 1.00 0.00 H new ATOM 0 HA THR A 86 -7.416 4.474 5.493 1.00 0.00 H new ATOM 0 HB THR A 86 -6.758 6.873 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.088 6.897 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.989 7.818 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.787 6.212 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.745 6.392 5.840 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.198 4.083 6.526 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.886 3.821 7.106 1.00 0.00 C ATOM 1323 C LEU A 87 -2.804 4.625 6.392 1.00 0.00 C ATOM 1324 O LEU A 87 -2.381 4.295 5.284 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.561 2.328 7.030 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.313 1.427 8.010 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.815 1.572 7.824 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.890 -0.024 7.832 1.00 0.00 C ATOM 0 H LEU A 87 -5.354 3.642 5.619 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.911 4.128 8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.769 1.982 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.492 2.200 7.197 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.062 1.737 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.333 0.923 8.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.105 2.607 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.085 1.289 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.435 -0.651 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.112 -0.345 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.820 -0.116 8.017 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.344 5.706 7.040 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.304 6.578 6.487 1.00 0.00 C ATOM 1342 C PRO A 88 0.061 5.899 6.447 1.00 0.00 C ATOM 1343 O PRO A 88 0.343 5.004 7.243 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.284 7.764 7.454 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.800 7.213 8.739 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.804 6.158 8.364 1.00 0.00 C ATOM 0 HA PRO A 88 -1.513 6.857 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.276 8.163 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.910 8.580 7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.992 6.788 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.262 7.995 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.817 5.341 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.815 6.562 8.322 1.00 0.00 H new ATOM 1354 N ALA A 89 0.904 6.332 5.516 1.00 0.00 N ATOM 1355 CA ALA A 89 2.241 5.767 5.374 1.00 0.00 C ATOM 1356 C ALA A 89 3.144 6.692 4.565 1.00 0.00 C ATOM 1357 O ALA A 89 2.738 7.228 3.534 1.00 0.00 O ATOM 1358 CB ALA A 89 2.168 4.394 4.722 1.00 0.00 C ATOM 0 H ALA A 89 0.685 7.072 4.849 1.00 0.00 H new ATOM 0 HA ALA A 89 2.672 5.661 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.173 3.985 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.565 3.729 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.713 4.483 3.735 1.00 0.00 H new ATOM 1364 N LYS A 90 4.372 6.875 5.039 1.00 0.00 N ATOM 1365 CA LYS A 90 5.335 7.734 4.360 1.00 0.00 C ATOM 1366 C LYS A 90 6.421 6.905 3.682 1.00 0.00 C ATOM 1367 O LYS A 90 6.875 5.896 4.223 1.00 0.00 O ATOM 1368 CB LYS A 90 5.969 8.710 5.354 1.00 0.00 C ATOM 1369 CG LYS A 90 5.190 10.003 5.517 1.00 0.00 C ATOM 1370 CD LYS A 90 4.090 9.865 6.557 1.00 0.00 C ATOM 1371 CE LYS A 90 4.596 10.199 7.951 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.413 9.094 8.525 1.00 0.00 N ATOM 0 H LYS A 90 4.724 6.439 5.892 1.00 0.00 H new ATOM 0 HA LYS A 90 4.803 8.299 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.055 8.222 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.981 8.944 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.869 10.804 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.753 10.289 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.261 10.526 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.701 8.847 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.194 11.110 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.749 10.402 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.371 9.134 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.039 8.180 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.400 9.195 8.215 1.00 0.00 H new ATOM 1386 N VAL A 91 6.835 7.337 2.495 1.00 0.00 N ATOM 1387 CA VAL A 91 7.870 6.636 1.745 1.00 0.00 C ATOM 1388 C VAL A 91 8.825 7.619 1.075 1.00 0.00 C ATOM 1389 O VAL A 91 8.447 8.746 0.754 1.00 0.00 O ATOM 1390 CB VAL A 91 7.260 5.717 0.670 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.083 4.307 1.211 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.934 6.279 0.180 1.00 0.00 C ATOM 0 H VAL A 91 6.469 8.169 2.032 1.00 0.00 H new ATOM 0 HA VAL A 91 8.422 6.028 2.461 1.00 0.00 H new ATOM 0 HB VAL A 91 7.945 5.672 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.651 3.672 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.052 3.907 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.419 4.329 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.517 5.617 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.240 6.355 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.094 7.268 -0.249 1.00 0.00 H new ATOM 1402 N HIS A 92 10.063 7.184 0.867 1.00 0.00 N ATOM 1403 CA HIS A 92 11.073 8.025 0.234 1.00 0.00 C ATOM 1404 C HIS A 92 11.917 7.216 -0.746 1.00 0.00 C ATOM 1405 O HIS A 92 12.162 6.028 -0.537 1.00 0.00 O ATOM 1406 CB HIS A 92 11.971 8.665 1.293 1.00 0.00 C ATOM 1407 CG HIS A 92 11.311 9.779 2.045 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.761 10.882 1.426 1.00 0.00 N ATOM 1409 CD2 HIS A 92 11.112 9.956 3.372 1.00 0.00 C ATOM 1410 CE1 HIS A 92 10.255 11.690 2.340 1.00 0.00 C ATOM 1411 NE2 HIS A 92 10.454 11.151 3.529 1.00 0.00 N ATOM 0 H HIS A 92 10.391 6.254 1.127 1.00 0.00 H new ATOM 0 HA HIS A 92 10.561 8.812 -0.320 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.288 7.898 2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.871 9.046 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.414 9.283 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.762 12.632 2.148 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.166 11.556 4.419 1.00 0.00 H new ATOM 1420 N VAL A 93 12.360 7.868 -1.816 1.00 0.00 N ATOM 1421 CA VAL A 93 13.178 7.210 -2.828 1.00 0.00 C ATOM 1422 C VAL A 93 14.456 7.996 -3.099 1.00 0.00 C ATOM 1423 O VAL A 93 14.411 9.189 -3.397 1.00 0.00 O ATOM 1424 CB VAL A 93 12.405 7.037 -4.149 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.439 8.323 -4.960 1.00 0.00 C ATOM 1426 CG2 VAL A 93 12.974 5.876 -4.951 1.00 0.00 C ATOM 0 H VAL A 93 12.166 8.851 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 93 13.436 6.227 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 93 11.365 6.811 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.888 8.182 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.981 9.128 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.473 8.583 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.416 5.768 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.023 6.069 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.892 4.957 -4.370 1.00 0.00 H new ATOM 1436 N ILE A 94 15.594 7.318 -2.993 1.00 0.00 N ATOM 1437 CA ILE A 94 16.885 7.953 -3.228 1.00 0.00 C ATOM 1438 C ILE A 94 17.082 8.267 -4.707 1.00 0.00 C ATOM 1439 O ILE A 94 16.871 7.411 -5.567 1.00 0.00 O ATOM 1440 CB ILE A 94 18.046 7.065 -2.744 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.703 6.430 -1.395 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.328 7.878 -2.642 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.089 7.399 -0.409 1.00 0.00 C ATOM 0 H ILE A 94 15.648 6.330 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 94 16.888 8.882 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 94 18.201 6.268 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.012 5.603 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.609 6.008 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.139 7.236 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.578 8.287 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.186 8.694 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 94 16.872 6.880 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 94 17.787 8.214 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.165 7.803 -0.823 1.00 0.00 H new