USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 778 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 29 SER OG : rot -140:sc= -0.451 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.669 X(o=-1.2,f=-1) USER MOD Set 1.3: B 116 THR OG1 : rot -150:sc= -0.0961 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= -0.542 (180deg=-1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 66:sc= -6.95! USER MOD Single : A 26 SER OG : rot 180:sc= -2.05 USER MOD Single : A 28 SER OG : rot 48:sc= 0.948 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= -0.0549 (180deg=-0.489) USER MOD Single : A 40 SER OG : rot -120:sc= -0.0298 USER MOD Single : A 41 HIS : no HD1:sc= -1.65! C(o=-1.6!,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 92:sc= 0.0536 USER MOD Single : A 48 SER OG : rot -78:sc= -3.11! USER MOD Single : A 58 GLN : amide:sc= 0.331 X(o=0.33,f=0.52) USER MOD Single : A 63 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.35) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0809 K(o=-0.081,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -0.101 (180deg=-0.677) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -1.08 (180deg=-1.54) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00177 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.5 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -41:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.705 -4.699 -13.587 1.00 0.00 N ATOM 2 CA LYS A 9 -4.543 -3.418 -14.323 1.00 0.00 C ATOM 3 C LYS A 9 -3.504 -2.525 -13.653 1.00 0.00 C ATOM 4 O LYS A 9 -3.778 -1.894 -12.632 1.00 0.00 O ATOM 5 CB LYS A 9 -5.898 -2.709 -14.370 1.00 0.00 C ATOM 6 CG LYS A 9 -6.155 -1.977 -15.676 1.00 0.00 C ATOM 7 CD LYS A 9 -7.363 -1.058 -15.573 1.00 0.00 C ATOM 8 CE LYS A 9 -7.138 0.249 -16.317 1.00 0.00 C ATOM 9 NZ LYS A 9 -7.250 1.429 -15.414 1.00 0.00 N ATOM 0 HA LYS A 9 -4.193 -3.627 -15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.689 -3.443 -14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.955 -1.997 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.275 -1.394 -15.946 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.315 -2.701 -16.475 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.240 -1.562 -15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.573 -0.849 -14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.151 0.238 -16.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.867 0.338 -17.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.090 2.300 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.200 1.454 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.538 1.358 -14.659 1.00 0.00 H new ATOM 25 N GLU A 10 -2.310 -2.478 -14.235 1.00 0.00 N ATOM 26 CA GLU A 10 -1.228 -1.661 -13.696 1.00 0.00 C ATOM 27 C GLU A 10 -1.600 -0.182 -13.720 1.00 0.00 C ATOM 28 O GLU A 10 -1.777 0.406 -14.786 1.00 0.00 O ATOM 29 CB GLU A 10 0.058 -1.891 -14.494 1.00 0.00 C ATOM 30 CG GLU A 10 1.028 -2.850 -13.823 1.00 0.00 C ATOM 31 CD GLU A 10 2.256 -3.120 -14.670 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.093 -3.467 -15.860 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.381 -2.986 -14.144 1.00 0.00 O ATOM 0 H GLU A 10 -2.067 -2.996 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.062 -1.957 -12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.200 -2.279 -15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.556 -0.934 -14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.337 -2.437 -12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.519 -3.791 -13.616 1.00 0.00 H new ATOM 40 N LYS A 11 -1.717 0.415 -12.537 1.00 0.00 N ATOM 41 CA LYS A 11 -2.068 1.827 -12.428 1.00 0.00 C ATOM 42 C LYS A 11 -0.848 2.668 -12.052 1.00 0.00 C ATOM 43 O LYS A 11 0.046 2.206 -11.342 1.00 0.00 O ATOM 44 CB LYS A 11 -3.183 2.021 -11.397 1.00 0.00 C ATOM 45 CG LYS A 11 -3.564 3.478 -11.175 1.00 0.00 C ATOM 46 CD LYS A 11 -4.963 3.606 -10.593 1.00 0.00 C ATOM 47 CE LYS A 11 -5.028 3.077 -9.169 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.994 1.952 -9.038 1.00 0.00 N ATOM 0 H LYS A 11 -1.574 -0.056 -11.643 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.426 2.162 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.065 1.469 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.867 1.588 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.845 3.945 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.512 4.017 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.269 4.652 -10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.669 3.059 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.037 2.743 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.317 3.884 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.584 1.211 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.875 2.299 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.198 1.559 -9.979 1.00 0.00 H new ATOM 62 N LYS A 12 -0.815 3.904 -12.538 1.00 0.00 N ATOM 63 CA LYS A 12 0.297 4.807 -12.257 1.00 0.00 C ATOM 64 C LYS A 12 -0.133 5.930 -11.318 1.00 0.00 C ATOM 65 O LYS A 12 -1.219 6.493 -11.463 1.00 0.00 O ATOM 66 CB LYS A 12 0.843 5.396 -13.559 1.00 0.00 C ATOM 67 CG LYS A 12 2.275 5.892 -13.449 1.00 0.00 C ATOM 68 CD LYS A 12 3.263 4.737 -13.414 1.00 0.00 C ATOM 69 CE LYS A 12 4.628 5.187 -12.923 1.00 0.00 C ATOM 70 NZ LYS A 12 5.546 5.512 -14.050 1.00 0.00 N ATOM 0 H LYS A 12 -1.545 4.304 -13.128 1.00 0.00 H new ATOM 0 HA LYS A 12 1.083 4.232 -11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.789 4.639 -14.341 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.204 6.222 -13.870 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.502 6.541 -14.295 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.385 6.494 -12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.882 3.950 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.357 4.307 -14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.513 6.063 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.070 4.402 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.466 5.815 -13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.677 4.669 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.137 6.279 -14.621 1.00 0.00 H new ATOM 84 N VAL A 13 0.727 6.253 -10.358 1.00 0.00 N ATOM 85 CA VAL A 13 0.440 7.311 -9.398 1.00 0.00 C ATOM 86 C VAL A 13 1.701 8.097 -9.055 1.00 0.00 C ATOM 87 O VAL A 13 2.731 7.517 -8.705 1.00 0.00 O ATOM 88 CB VAL A 13 -0.170 6.742 -8.102 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.572 7.865 -7.159 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.360 5.850 -8.421 1.00 0.00 C ATOM 0 H VAL A 13 1.629 5.796 -10.225 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.283 7.979 -9.867 1.00 0.00 H new ATOM 0 HB VAL A 13 0.586 6.137 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.000 7.441 -6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.306 8.458 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.311 8.502 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.779 5.457 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.120 6.430 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.036 5.023 -9.053 1.00 0.00 H new ATOM 100 N PHE A 14 1.615 9.419 -9.158 1.00 0.00 N ATOM 101 CA PHE A 14 2.750 10.285 -8.861 1.00 0.00 C ATOM 102 C PHE A 14 2.466 11.156 -7.641 1.00 0.00 C ATOM 103 O PHE A 14 1.559 11.989 -7.660 1.00 0.00 O ATOM 104 CB PHE A 14 3.076 11.172 -10.066 1.00 0.00 C ATOM 105 CG PHE A 14 2.979 10.457 -11.384 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.754 10.303 -12.015 1.00 0.00 C ATOM 107 CD2 PHE A 14 4.112 9.942 -11.994 1.00 0.00 C ATOM 108 CE1 PHE A 14 1.661 9.646 -13.227 1.00 0.00 C ATOM 109 CE2 PHE A 14 4.025 9.285 -13.206 1.00 0.00 C ATOM 110 CZ PHE A 14 2.798 9.137 -13.824 1.00 0.00 C ATOM 0 H PHE A 14 0.771 9.914 -9.445 1.00 0.00 H new ATOM 0 HA PHE A 14 3.608 9.650 -8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.396 12.024 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.084 11.570 -9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.862 10.701 -11.554 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.074 10.056 -11.516 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.700 9.531 -13.707 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.915 8.887 -13.670 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.728 8.624 -14.772 1.00 0.00 H new ATOM 120 N ILE A 15 3.248 10.963 -6.584 1.00 0.00 N ATOM 121 CA ILE A 15 3.079 11.738 -5.359 1.00 0.00 C ATOM 122 C ILE A 15 4.164 12.801 -5.233 1.00 0.00 C ATOM 123 O ILE A 15 5.355 12.494 -5.279 1.00 0.00 O ATOM 124 CB ILE A 15 3.112 10.834 -4.111 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.115 9.683 -4.260 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.807 11.644 -2.859 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.689 10.143 -4.475 1.00 0.00 C ATOM 0 H ILE A 15 4.003 10.278 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 15 2.104 12.221 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 15 4.113 10.414 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.417 9.058 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.156 9.059 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.834 10.990 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.551 12.432 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.816 12.090 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.037 9.275 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.368 10.744 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.633 10.742 -5.384 1.00 0.00 H new ATOM 139 N SER A 16 3.745 14.052 -5.078 1.00 0.00 N ATOM 140 CA SER A 16 4.682 15.161 -4.947 1.00 0.00 C ATOM 141 C SER A 16 4.222 16.138 -3.869 1.00 0.00 C ATOM 142 O SER A 16 3.100 16.641 -3.911 1.00 0.00 O ATOM 143 CB SER A 16 4.831 15.892 -6.283 1.00 0.00 C ATOM 144 OG SER A 16 5.402 15.044 -7.266 1.00 0.00 O ATOM 0 H SER A 16 2.762 14.323 -5.040 1.00 0.00 H new ATOM 0 HA SER A 16 5.649 14.753 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.855 16.241 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.457 16.774 -6.151 1.00 0.00 H new ATOM 0 HG SER A 16 5.486 15.533 -8.111 1.00 0.00 H new ATOM 150 N LEU A 17 5.097 16.399 -2.904 1.00 0.00 N ATOM 151 CA LEU A 17 4.780 17.315 -1.813 1.00 0.00 C ATOM 152 C LEU A 17 4.889 18.766 -2.270 1.00 0.00 C ATOM 153 O LEU A 17 5.873 19.448 -1.983 1.00 0.00 O ATOM 154 CB LEU A 17 5.715 17.071 -0.627 1.00 0.00 C ATOM 155 CG LEU A 17 5.090 17.309 0.748 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.689 16.364 1.778 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.281 18.756 1.175 1.00 0.00 C ATOM 0 H LEU A 17 6.030 15.990 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 17 3.752 17.127 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.075 16.043 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.586 17.719 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 17 4.021 17.108 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.232 16.548 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.501 15.333 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.764 16.532 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.830 18.908 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.346 18.983 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.804 19.415 0.450 1.00 0.00 H new ATOM 169 N VAL A 18 3.870 19.233 -2.985 1.00 0.00 N ATOM 170 CA VAL A 18 3.851 20.603 -3.481 1.00 0.00 C ATOM 171 C VAL A 18 3.696 21.599 -2.336 1.00 0.00 C ATOM 172 O VAL A 18 4.192 22.723 -2.407 1.00 0.00 O ATOM 173 CB VAL A 18 2.708 20.821 -4.491 1.00 0.00 C ATOM 174 CG1 VAL A 18 3.012 20.116 -5.803 1.00 0.00 C ATOM 175 CG2 VAL A 18 1.387 20.340 -3.911 1.00 0.00 C ATOM 0 H VAL A 18 3.048 18.683 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 18 4.805 20.770 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 18 2.623 21.889 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.193 20.282 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.936 20.513 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.125 19.047 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.590 20.501 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.457 19.277 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.166 20.896 -3.000 1.00 0.00 H new ATOM 185 N GLY A 19 3.005 21.177 -1.282 1.00 0.00 N ATOM 186 CA GLY A 19 2.798 22.043 -0.137 1.00 0.00 C ATOM 187 C GLY A 19 3.657 21.654 1.050 1.00 0.00 C ATOM 188 O GLY A 19 4.885 21.633 0.953 1.00 0.00 O ATOM 0 H GLY A 19 2.585 20.251 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.020 23.072 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.748 22.011 0.153 1.00 0.00 H new ATOM 192 N SER A 20 3.014 21.345 2.170 1.00 0.00 N ATOM 193 CA SER A 20 3.729 20.957 3.380 1.00 0.00 C ATOM 194 C SER A 20 2.964 19.880 4.144 1.00 0.00 C ATOM 195 O SER A 20 2.848 19.937 5.369 1.00 0.00 O ATOM 196 CB SER A 20 3.955 22.175 4.277 1.00 0.00 C ATOM 197 OG SER A 20 2.881 23.092 4.170 1.00 0.00 O ATOM 0 H SER A 20 1.999 21.356 2.265 1.00 0.00 H new ATOM 0 HA SER A 20 4.696 20.548 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.061 21.853 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.887 22.667 3.999 1.00 0.00 H new ATOM 0 HG SER A 20 3.048 23.861 4.754 1.00 0.00 H new ATOM 203 N ARG A 21 2.441 18.901 3.413 1.00 0.00 N ATOM 204 CA ARG A 21 1.686 17.811 4.023 1.00 0.00 C ATOM 205 C ARG A 21 2.012 16.480 3.355 1.00 0.00 C ATOM 206 O ARG A 21 2.360 16.436 2.174 1.00 0.00 O ATOM 207 CB ARG A 21 0.183 18.089 3.930 1.00 0.00 C ATOM 208 CG ARG A 21 -0.348 18.104 2.505 1.00 0.00 C ATOM 209 CD ARG A 21 -0.273 19.493 1.896 1.00 0.00 C ATOM 210 NE ARG A 21 -1.255 20.404 2.482 1.00 0.00 N ATOM 211 CZ ARG A 21 -1.652 21.536 1.908 1.00 0.00 C ATOM 212 NH1 ARG A 21 -1.156 21.904 0.733 1.00 0.00 N ATOM 213 NH2 ARG A 21 -2.549 22.305 2.511 1.00 0.00 N ATOM 0 H ARG A 21 2.526 18.840 2.398 1.00 0.00 H new ATOM 0 HA ARG A 21 1.973 17.748 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.354 17.331 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.030 19.050 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.226 17.407 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.382 17.758 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.728 19.898 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.438 19.426 0.821 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.660 20.157 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.466 21.317 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.465 22.774 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.934 22.028 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.854 23.173 2.072 1.00 0.00 H new ATOM 227 N GLY A 22 1.898 15.396 4.116 1.00 0.00 N ATOM 228 CA GLY A 22 2.185 14.079 3.579 1.00 0.00 C ATOM 229 C GLY A 22 1.278 13.717 2.418 1.00 0.00 C ATOM 230 O GLY A 22 0.568 14.573 1.888 1.00 0.00 O ATOM 0 H GLY A 22 1.612 15.406 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.224 14.042 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.074 13.336 4.369 1.00 0.00 H new ATOM 234 N LEU A 23 1.299 12.449 2.022 1.00 0.00 N ATOM 235 CA LEU A 23 0.471 11.983 0.917 1.00 0.00 C ATOM 236 C LEU A 23 -0.975 11.796 1.369 1.00 0.00 C ATOM 237 O LEU A 23 -1.908 12.150 0.650 1.00 0.00 O ATOM 238 CB LEU A 23 1.060 10.688 0.325 1.00 0.00 C ATOM 239 CG LEU A 23 0.247 9.395 0.517 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.170 8.823 -0.829 1.00 0.00 C ATOM 241 CD2 LEU A 23 1.057 8.372 1.302 1.00 0.00 C ATOM 0 H LEU A 23 1.879 11.727 2.449 1.00 0.00 H new ATOM 0 HA LEU A 23 0.467 12.738 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.205 10.841 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.047 10.535 0.762 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.653 9.633 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.744 7.909 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.784 9.551 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.718 8.598 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.469 7.463 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.973 8.139 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.310 8.781 2.280 1.00 0.00 H new ATOM 253 N GLY A 24 -1.154 11.250 2.567 1.00 0.00 N ATOM 254 CA GLY A 24 -2.492 11.044 3.092 1.00 0.00 C ATOM 255 C GLY A 24 -2.960 9.603 2.995 1.00 0.00 C ATOM 256 O GLY A 24 -4.162 9.338 3.035 1.00 0.00 O ATOM 0 H GLY A 24 -0.399 10.947 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.518 11.358 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.190 11.683 2.550 1.00 0.00 H new ATOM 260 N CYS A 25 -2.024 8.667 2.862 1.00 0.00 N ATOM 261 CA CYS A 25 -2.382 7.255 2.757 1.00 0.00 C ATOM 262 C CYS A 25 -1.533 6.390 3.685 1.00 0.00 C ATOM 263 O CYS A 25 -0.437 6.778 4.088 1.00 0.00 O ATOM 264 CB CYS A 25 -2.248 6.778 1.299 1.00 0.00 C ATOM 265 SG CYS A 25 -0.749 5.830 0.925 1.00 0.00 S ATOM 0 H CYS A 25 -1.023 8.857 2.825 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.421 7.149 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.115 6.165 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.279 7.650 0.645 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.771 4.707 1.580 1.00 0.00 H new ATOM 271 N SER A 26 -2.047 5.207 3.999 1.00 0.00 N ATOM 272 CA SER A 26 -1.343 4.265 4.859 1.00 0.00 C ATOM 273 C SER A 26 -0.979 3.018 4.063 1.00 0.00 C ATOM 274 O SER A 26 -1.377 2.878 2.907 1.00 0.00 O ATOM 275 CB SER A 26 -2.210 3.888 6.061 1.00 0.00 C ATOM 276 OG SER A 26 -2.186 4.905 7.049 1.00 0.00 O ATOM 0 H SER A 26 -2.954 4.876 3.669 1.00 0.00 H new ATOM 0 HA SER A 26 -0.431 4.735 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.236 3.719 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.854 2.952 6.490 1.00 0.00 H new ATOM 0 HG SER A 26 -2.749 4.639 7.806 1.00 0.00 H new ATOM 282 N ILE A 27 -0.220 2.116 4.671 1.00 0.00 N ATOM 283 CA ILE A 27 0.181 0.893 3.987 1.00 0.00 C ATOM 284 C ILE A 27 0.218 -0.298 4.937 1.00 0.00 C ATOM 285 O ILE A 27 0.555 -0.163 6.113 1.00 0.00 O ATOM 286 CB ILE A 27 1.555 1.039 3.306 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.520 1.817 4.201 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.405 1.726 1.957 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.917 1.914 3.632 1.00 0.00 C ATOM 0 H ILE A 27 0.127 2.206 5.626 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.574 0.714 3.221 1.00 0.00 H new ATOM 0 HB ILE A 27 1.968 0.043 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.129 2.822 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.566 1.336 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.384 1.823 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.752 1.132 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.972 2.716 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.550 2.478 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.327 0.913 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.883 2.421 2.668 1.00 0.00 H new ATOM 301 N SER A 28 -0.134 -1.463 4.409 1.00 0.00 N ATOM 302 CA SER A 28 -0.150 -2.693 5.187 1.00 0.00 C ATOM 303 C SER A 28 0.624 -3.791 4.467 1.00 0.00 C ATOM 304 O SER A 28 0.880 -3.695 3.267 1.00 0.00 O ATOM 305 CB SER A 28 -1.589 -3.147 5.438 1.00 0.00 C ATOM 306 OG SER A 28 -1.621 -4.362 6.167 1.00 0.00 O ATOM 0 H SER A 28 -0.415 -1.581 3.436 1.00 0.00 H new ATOM 0 HA SER A 28 0.330 -2.497 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.126 -2.375 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.104 -3.277 4.486 1.00 0.00 H new ATOM 0 HG SER A 28 -1.021 -4.296 6.939 1.00 0.00 H new ATOM 312 N SER A 29 0.996 -4.832 5.200 1.00 0.00 N ATOM 313 CA SER A 29 1.742 -5.940 4.620 1.00 0.00 C ATOM 314 C SER A 29 0.832 -7.147 4.418 1.00 0.00 C ATOM 315 O SER A 29 -0.068 -7.399 5.220 1.00 0.00 O ATOM 316 CB SER A 29 2.924 -6.315 5.516 1.00 0.00 C ATOM 317 OG SER A 29 4.128 -5.741 5.040 1.00 0.00 O ATOM 0 H SER A 29 0.794 -4.932 6.195 1.00 0.00 H new ATOM 0 HA SER A 29 2.125 -5.626 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.734 -5.976 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.025 -7.400 5.555 1.00 0.00 H new ATOM 0 HG SER A 29 4.859 -6.387 5.136 1.00 0.00 H new ATOM 323 N GLY A 30 1.062 -7.878 3.334 1.00 0.00 N ATOM 324 CA GLY A 30 0.243 -9.037 3.035 1.00 0.00 C ATOM 325 C GLY A 30 0.765 -10.314 3.669 1.00 0.00 C ATOM 326 O GLY A 30 1.832 -10.319 4.280 1.00 0.00 O ATOM 0 H GLY A 30 1.801 -7.689 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.774 -8.855 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.192 -9.169 1.954 1.00 0.00 H new ATOM 330 N PRO A 31 0.017 -11.422 3.531 1.00 0.00 N ATOM 331 CA PRO A 31 0.406 -12.720 4.094 1.00 0.00 C ATOM 332 C PRO A 31 1.612 -13.323 3.379 1.00 0.00 C ATOM 333 O PRO A 31 2.365 -12.616 2.709 1.00 0.00 O ATOM 334 CB PRO A 31 -0.839 -13.586 3.877 1.00 0.00 C ATOM 335 CG PRO A 31 -1.529 -12.970 2.711 1.00 0.00 C ATOM 336 CD PRO A 31 -1.268 -11.493 2.813 1.00 0.00 C ATOM 0 HA PRO A 31 0.708 -12.640 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.570 -14.623 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.479 -13.588 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.145 -13.371 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.598 -13.180 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.205 -11.027 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.061 -10.981 3.358 1.00 0.00 H new ATOM 344 N ILE A 32 1.791 -14.631 3.530 1.00 0.00 N ATOM 345 CA ILE A 32 2.905 -15.329 2.903 1.00 0.00 C ATOM 346 C ILE A 32 2.564 -15.748 1.476 1.00 0.00 C ATOM 347 O ILE A 32 3.449 -15.886 0.632 1.00 0.00 O ATOM 348 CB ILE A 32 3.310 -16.579 3.709 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.478 -16.229 5.191 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.592 -17.177 3.150 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.745 -17.170 6.121 1.00 0.00 C ATOM 0 H ILE A 32 1.177 -15.229 4.083 1.00 0.00 H new ATOM 0 HA ILE A 32 3.741 -14.630 2.882 1.00 0.00 H new ATOM 0 HB ILE A 32 2.517 -17.322 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.539 -16.238 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.120 -15.213 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.865 -18.059 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.437 -17.461 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.393 -16.441 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.909 -16.862 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.678 -17.143 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.119 -18.184 5.982 1.00 0.00 H new ATOM 363 N GLN A 33 1.277 -15.949 1.213 1.00 0.00 N ATOM 364 CA GLN A 33 0.823 -16.350 -0.113 1.00 0.00 C ATOM 365 C GLN A 33 1.065 -15.239 -1.129 1.00 0.00 C ATOM 366 O GLN A 33 1.332 -15.504 -2.301 1.00 0.00 O ATOM 367 CB GLN A 33 -0.662 -16.713 -0.079 1.00 0.00 C ATOM 368 CG GLN A 33 -0.937 -18.103 0.471 1.00 0.00 C ATOM 369 CD GLN A 33 -2.177 -18.151 1.341 1.00 0.00 C ATOM 370 OE1 GLN A 33 -3.298 -18.015 0.854 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.981 -18.344 2.641 1.00 0.00 N ATOM 0 H GLN A 33 0.531 -15.841 1.900 1.00 0.00 H new ATOM 0 HA GLN A 33 1.396 -17.226 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.193 -15.980 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.067 -16.644 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.052 -18.801 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.077 -18.437 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.034 -18.452 3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.778 -18.384 3.276 1.00 0.00 H new ATOM 380 N LYS A 34 0.971 -13.995 -0.671 1.00 0.00 N ATOM 381 CA LYS A 34 1.180 -12.842 -1.538 1.00 0.00 C ATOM 382 C LYS A 34 1.716 -11.654 -0.743 1.00 0.00 C ATOM 383 O LYS A 34 1.009 -10.668 -0.531 1.00 0.00 O ATOM 384 CB LYS A 34 -0.127 -12.460 -2.236 1.00 0.00 C ATOM 385 CG LYS A 34 -0.807 -13.625 -2.935 1.00 0.00 C ATOM 386 CD LYS A 34 -1.863 -13.147 -3.918 1.00 0.00 C ATOM 387 CE LYS A 34 -3.091 -14.041 -3.897 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.797 -13.984 -2.586 1.00 0.00 N ATOM 0 H LYS A 34 0.751 -13.760 0.297 1.00 0.00 H new ATOM 0 HA LYS A 34 1.919 -13.113 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.812 -12.039 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.077 -11.677 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.061 -14.220 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.268 -14.277 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.152 -12.125 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.443 -13.128 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.774 -13.738 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.795 -15.069 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.836 -14.937 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.285 -13.347 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.764 -13.628 -2.728 1.00 0.00 H new ATOM 402 N PRO A 35 2.978 -11.733 -0.288 1.00 0.00 N ATOM 403 CA PRO A 35 3.607 -10.660 0.488 1.00 0.00 C ATOM 404 C PRO A 35 3.941 -9.445 -0.369 1.00 0.00 C ATOM 405 O PRO A 35 4.434 -9.579 -1.490 1.00 0.00 O ATOM 406 CB PRO A 35 4.886 -11.310 1.016 1.00 0.00 C ATOM 407 CG PRO A 35 5.212 -12.366 0.017 1.00 0.00 C ATOM 408 CD PRO A 35 3.892 -12.874 -0.495 1.00 0.00 C ATOM 0 HA PRO A 35 2.949 -10.282 1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.694 -10.583 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.734 -11.736 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.816 -11.962 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.789 -13.170 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.951 -13.155 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.562 -13.757 0.053 1.00 0.00 H new ATOM 416 N GLY A 36 3.673 -8.257 0.164 1.00 0.00 N ATOM 417 CA GLY A 36 3.953 -7.035 -0.567 1.00 0.00 C ATOM 418 C GLY A 36 3.444 -5.802 0.153 1.00 0.00 C ATOM 419 O GLY A 36 2.941 -5.891 1.272 1.00 0.00 O ATOM 0 H GLY A 36 3.267 -8.119 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.028 -6.945 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.494 -7.092 -1.554 1.00 0.00 H new ATOM 423 N ILE A 37 3.576 -4.648 -0.493 1.00 0.00 N ATOM 424 CA ILE A 37 3.126 -3.391 0.092 1.00 0.00 C ATOM 425 C ILE A 37 1.700 -3.067 -0.337 1.00 0.00 C ATOM 426 O ILE A 37 1.427 -2.866 -1.520 1.00 0.00 O ATOM 427 CB ILE A 37 4.050 -2.223 -0.301 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.515 -2.621 -0.116 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.723 -0.988 0.526 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.875 -2.954 1.316 1.00 0.00 C ATOM 0 H ILE A 37 3.990 -4.558 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 37 3.157 -3.516 1.174 1.00 0.00 H new ATOM 0 HB ILE A 37 3.886 -1.986 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.731 -3.484 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.151 -1.806 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.384 -0.171 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.688 -0.696 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.863 -1.211 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.929 -3.227 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.691 -2.086 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.265 -3.789 1.660 1.00 0.00 H new ATOM 442 N PHE A 38 0.794 -3.022 0.634 1.00 0.00 N ATOM 443 CA PHE A 38 -0.609 -2.728 0.361 1.00 0.00 C ATOM 444 C PHE A 38 -0.965 -1.310 0.789 1.00 0.00 C ATOM 445 O PHE A 38 -0.177 -0.632 1.449 1.00 0.00 O ATOM 446 CB PHE A 38 -1.510 -3.734 1.079 1.00 0.00 C ATOM 447 CG PHE A 38 -1.239 -5.164 0.699 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.013 -5.747 0.973 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.212 -5.923 0.068 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.238 -7.062 0.625 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.967 -7.238 -0.282 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.740 -7.806 -0.003 1.00 0.00 C ATOM 0 H PHE A 38 1.006 -3.185 1.618 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.768 -2.810 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.380 -3.622 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.551 -3.499 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.756 -5.168 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.173 -5.482 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.198 -7.506 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.734 -7.819 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.546 -8.833 -0.276 1.00 0.00 H new ATOM 462 N ILE A 39 -2.158 -0.869 0.408 1.00 0.00 N ATOM 463 CA ILE A 39 -2.626 0.467 0.748 1.00 0.00 C ATOM 464 C ILE A 39 -3.720 0.410 1.811 1.00 0.00 C ATOM 465 O ILE A 39 -4.651 -0.389 1.719 1.00 0.00 O ATOM 466 CB ILE A 39 -3.162 1.204 -0.500 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.023 1.466 -1.489 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.842 2.511 -0.109 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.068 2.553 -1.044 1.00 0.00 C ATOM 0 H ILE A 39 -2.820 -1.420 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.772 1.017 1.145 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.905 0.568 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.464 0.542 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.448 1.741 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.211 3.011 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.677 2.301 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.125 3.157 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.288 2.682 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.613 3.489 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.614 2.272 -0.094 1.00 0.00 H new ATOM 481 N SER A 40 -3.597 1.269 2.816 1.00 0.00 N ATOM 482 CA SER A 40 -4.569 1.332 3.900 1.00 0.00 C ATOM 483 C SER A 40 -5.442 2.575 3.761 1.00 0.00 C ATOM 484 O SER A 40 -5.407 3.259 2.737 1.00 0.00 O ATOM 485 CB SER A 40 -3.854 1.334 5.253 1.00 0.00 C ATOM 486 OG SER A 40 -3.972 0.073 5.893 1.00 0.00 O ATOM 0 H SER A 40 -2.829 1.935 2.902 1.00 0.00 H new ATOM 0 HA SER A 40 -5.209 0.451 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.801 1.577 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.277 2.110 5.891 1.00 0.00 H new ATOM 0 HG SER A 40 -4.426 0.185 6.755 1.00 0.00 H new ATOM 492 N HIS A 41 -6.224 2.864 4.795 1.00 0.00 N ATOM 493 CA HIS A 41 -7.107 4.025 4.787 1.00 0.00 C ATOM 494 C HIS A 41 -6.342 5.292 4.413 1.00 0.00 C ATOM 495 O HIS A 41 -5.149 5.416 4.695 1.00 0.00 O ATOM 496 CB HIS A 41 -7.766 4.201 6.157 1.00 0.00 C ATOM 497 CG HIS A 41 -9.204 4.613 6.079 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.243 3.713 5.986 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.774 5.843 6.081 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.389 4.368 5.932 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.132 5.662 5.988 1.00 0.00 N ATOM 0 H HIS A 41 -6.265 2.310 5.650 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.880 3.855 4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.694 3.264 6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.212 4.949 6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.257 6.789 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.369 3.921 5.855 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.829 6.406 5.966 1.00 0.00 H new ATOM 510 N VAL A 42 -7.034 6.227 3.771 1.00 0.00 N ATOM 511 CA VAL A 42 -6.418 7.482 3.355 1.00 0.00 C ATOM 512 C VAL A 42 -7.262 8.678 3.791 1.00 0.00 C ATOM 513 O VAL A 42 -8.470 8.555 3.993 1.00 0.00 O ATOM 514 CB VAL A 42 -6.206 7.521 1.827 1.00 0.00 C ATOM 515 CG1 VAL A 42 -5.508 6.253 1.358 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.527 7.703 1.094 1.00 0.00 C ATOM 0 H VAL A 42 -8.021 6.140 3.528 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.445 7.543 3.842 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.573 8.377 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.365 6.294 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.539 6.168 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.119 5.387 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.347 7.727 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.192 6.873 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.990 8.640 1.405 1.00 0.00 H new ATOM 526 N LYS A 43 -6.618 9.832 3.937 1.00 0.00 N ATOM 527 CA LYS A 43 -7.312 11.045 4.352 1.00 0.00 C ATOM 528 C LYS A 43 -7.708 11.895 3.145 1.00 0.00 C ATOM 529 O LYS A 43 -7.003 11.920 2.136 1.00 0.00 O ATOM 530 CB LYS A 43 -6.428 11.863 5.296 1.00 0.00 C ATOM 531 CG LYS A 43 -5.964 11.087 6.518 1.00 0.00 C ATOM 532 CD LYS A 43 -4.875 11.835 7.271 1.00 0.00 C ATOM 533 CE LYS A 43 -3.538 11.737 6.555 1.00 0.00 C ATOM 534 NZ LYS A 43 -2.456 12.439 7.302 1.00 0.00 N ATOM 0 H LYS A 43 -5.618 9.952 3.774 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.221 10.749 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.555 12.217 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.979 12.745 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.811 10.910 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.590 10.110 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.157 12.883 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.781 11.428 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.270 10.688 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.628 12.166 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.560 12.349 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.699 13.445 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.352 12.013 8.245 1.00 0.00 H new ATOM 548 N PRO A 44 -8.847 12.605 3.236 1.00 0.00 N ATOM 549 CA PRO A 44 -9.335 13.458 2.151 1.00 0.00 C ATOM 550 C PRO A 44 -8.582 14.781 2.070 1.00 0.00 C ATOM 551 O PRO A 44 -8.188 15.346 3.090 1.00 0.00 O ATOM 552 CB PRO A 44 -10.795 13.695 2.530 1.00 0.00 C ATOM 553 CG PRO A 44 -10.807 13.630 4.019 1.00 0.00 C ATOM 554 CD PRO A 44 -9.749 12.631 4.405 1.00 0.00 C ATOM 0 HA PRO A 44 -9.200 12.998 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.146 14.663 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.447 12.938 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.596 14.607 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.786 13.322 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.223 12.935 5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.179 11.649 4.601 1.00 0.00 H new ATOM 562 N GLY A 45 -8.382 15.271 0.850 1.00 0.00 N ATOM 563 CA GLY A 45 -7.674 16.524 0.661 1.00 0.00 C ATOM 564 C GLY A 45 -6.189 16.323 0.422 1.00 0.00 C ATOM 565 O GLY A 45 -5.530 17.173 -0.176 1.00 0.00 O ATOM 0 H GLY A 45 -8.697 14.823 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.106 17.057 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.815 17.153 1.540 1.00 0.00 H new ATOM 569 N SER A 46 -5.664 15.196 0.893 1.00 0.00 N ATOM 570 CA SER A 46 -4.249 14.883 0.730 1.00 0.00 C ATOM 571 C SER A 46 -3.942 14.479 -0.710 1.00 0.00 C ATOM 572 O SER A 46 -4.830 14.461 -1.562 1.00 0.00 O ATOM 573 CB SER A 46 -3.852 13.756 1.681 1.00 0.00 C ATOM 574 OG SER A 46 -4.547 13.859 2.912 1.00 0.00 O ATOM 0 H SER A 46 -6.198 14.484 1.391 1.00 0.00 H new ATOM 0 HA SER A 46 -3.671 15.777 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.067 12.793 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.778 13.790 1.862 1.00 0.00 H new ATOM 0 HG SER A 46 -5.370 13.329 2.868 1.00 0.00 H new ATOM 580 N LEU A 47 -2.681 14.152 -0.972 1.00 0.00 N ATOM 581 CA LEU A 47 -2.260 13.746 -2.308 1.00 0.00 C ATOM 582 C LEU A 47 -2.819 12.371 -2.656 1.00 0.00 C ATOM 583 O LEU A 47 -3.174 12.106 -3.805 1.00 0.00 O ATOM 584 CB LEU A 47 -0.732 13.725 -2.401 1.00 0.00 C ATOM 585 CG LEU A 47 -0.059 15.094 -2.286 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.378 14.940 -1.812 1.00 0.00 C ATOM 587 CD2 LEU A 47 -0.109 15.822 -3.620 1.00 0.00 C ATOM 0 H LEU A 47 -1.934 14.160 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.650 14.471 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.344 13.079 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.447 13.275 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.601 15.688 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.843 15.923 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.389 14.456 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.933 14.331 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.374 16.794 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.411 15.233 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.148 15.961 -3.920 1.00 0.00 H new ATOM 599 N SER A 48 -2.895 11.501 -1.654 1.00 0.00 N ATOM 600 CA SER A 48 -3.411 10.148 -1.843 1.00 0.00 C ATOM 601 C SER A 48 -4.783 10.174 -2.509 1.00 0.00 C ATOM 602 O SER A 48 -5.014 9.494 -3.508 1.00 0.00 O ATOM 603 CB SER A 48 -3.502 9.432 -0.496 1.00 0.00 C ATOM 604 OG SER A 48 -3.985 8.109 -0.651 1.00 0.00 O ATOM 0 H SER A 48 -2.605 11.709 -0.699 1.00 0.00 H new ATOM 0 HA SER A 48 -2.724 9.609 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.519 9.410 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.162 9.987 0.170 1.00 0.00 H new ATOM 0 HG SER A 48 -4.957 8.128 -0.774 1.00 0.00 H new ATOM 610 N ALA A 49 -5.689 10.967 -1.950 1.00 0.00 N ATOM 611 CA ALA A 49 -7.036 11.085 -2.489 1.00 0.00 C ATOM 612 C ALA A 49 -7.018 11.769 -3.849 1.00 0.00 C ATOM 613 O ALA A 49 -7.829 11.463 -4.723 1.00 0.00 O ATOM 614 CB ALA A 49 -7.918 11.860 -1.527 1.00 0.00 C ATOM 0 H ALA A 49 -5.514 11.538 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.443 10.082 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.923 11.942 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.960 11.338 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.505 12.857 -1.378 1.00 0.00 H new ATOM 620 N GLU A 50 -6.090 12.702 -4.014 1.00 0.00 N ATOM 621 CA GLU A 50 -5.960 13.443 -5.260 1.00 0.00 C ATOM 622 C GLU A 50 -5.530 12.527 -6.403 1.00 0.00 C ATOM 623 O GLU A 50 -5.887 12.755 -7.559 1.00 0.00 O ATOM 624 CB GLU A 50 -4.952 14.578 -5.090 1.00 0.00 C ATOM 625 CG GLU A 50 -5.575 15.879 -4.609 1.00 0.00 C ATOM 626 CD GLU A 50 -5.597 16.949 -5.684 1.00 0.00 C ATOM 627 OE1 GLU A 50 -4.610 17.044 -6.445 1.00 0.00 O ATOM 628 OE2 GLU A 50 -6.598 17.689 -5.765 1.00 0.00 O ATOM 0 H GLU A 50 -5.414 12.964 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.935 13.862 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.185 14.268 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.452 14.755 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.594 15.687 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.018 16.247 -3.747 1.00 0.00 H new ATOM 635 N VAL A 51 -4.759 11.494 -6.075 1.00 0.00 N ATOM 636 CA VAL A 51 -4.286 10.548 -7.081 1.00 0.00 C ATOM 637 C VAL A 51 -5.280 9.408 -7.284 1.00 0.00 C ATOM 638 O VAL A 51 -5.263 8.736 -8.314 1.00 0.00 O ATOM 639 CB VAL A 51 -2.917 9.953 -6.693 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.840 11.028 -6.696 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.997 9.270 -5.336 1.00 0.00 C ATOM 0 H VAL A 51 -4.449 11.291 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.185 11.106 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.646 9.204 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.883 10.585 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.764 11.464 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.101 11.806 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.022 8.856 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.294 9.997 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.733 8.467 -5.376 1.00 0.00 H new ATOM 651 N GLY A 52 -6.142 9.192 -6.294 1.00 0.00 N ATOM 652 CA GLY A 52 -7.125 8.128 -6.387 1.00 0.00 C ATOM 653 C GLY A 52 -6.703 6.894 -5.616 1.00 0.00 C ATOM 654 O GLY A 52 -6.912 5.767 -6.067 1.00 0.00 O ATOM 0 H GLY A 52 -6.177 9.734 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.082 8.484 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.278 7.866 -7.434 1.00 0.00 H new ATOM 658 N LEU A 53 -6.103 7.110 -4.452 1.00 0.00 N ATOM 659 CA LEU A 53 -5.641 6.014 -3.610 1.00 0.00 C ATOM 660 C LEU A 53 -6.727 5.579 -2.630 1.00 0.00 C ATOM 661 O LEU A 53 -7.655 6.334 -2.341 1.00 0.00 O ATOM 662 CB LEU A 53 -4.386 6.435 -2.845 1.00 0.00 C ATOM 663 CG LEU A 53 -3.063 6.120 -3.544 1.00 0.00 C ATOM 664 CD1 LEU A 53 -1.935 6.948 -2.950 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.747 4.637 -3.442 1.00 0.00 C ATOM 0 H LEU A 53 -5.924 8.038 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.404 5.167 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.435 7.508 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.391 5.944 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.161 6.379 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.002 6.710 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.157 8.008 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.837 6.720 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.802 4.431 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.669 4.353 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.543 4.062 -3.915 1.00 0.00 H new ATOM 677 N GLU A 54 -6.600 4.357 -2.123 1.00 0.00 N ATOM 678 CA GLU A 54 -7.566 3.815 -1.173 1.00 0.00 C ATOM 679 C GLU A 54 -7.186 2.396 -0.766 1.00 0.00 C ATOM 680 O GLU A 54 -6.277 1.797 -1.342 1.00 0.00 O ATOM 681 CB GLU A 54 -8.973 3.826 -1.775 1.00 0.00 C ATOM 682 CG GLU A 54 -9.068 3.106 -3.111 1.00 0.00 C ATOM 683 CD GLU A 54 -10.475 3.104 -3.674 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.336 2.388 -3.122 1.00 0.00 O ATOM 685 OE2 GLU A 54 -10.716 3.822 -4.669 1.00 0.00 O ATOM 0 H GLU A 54 -5.836 3.722 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.557 4.446 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.664 3.362 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.296 4.859 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.396 3.582 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.728 2.078 -2.990 1.00 0.00 H new ATOM 692 N ILE A 55 -7.885 1.859 0.230 1.00 0.00 N ATOM 693 CA ILE A 55 -7.617 0.509 0.709 1.00 0.00 C ATOM 694 C ILE A 55 -7.816 -0.518 -0.400 1.00 0.00 C ATOM 695 O ILE A 55 -8.662 -0.342 -1.277 1.00 0.00 O ATOM 696 CB ILE A 55 -8.522 0.143 1.902 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.470 1.240 2.968 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.105 -1.199 2.491 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.827 1.820 3.304 1.00 0.00 C ATOM 0 H ILE A 55 -8.640 2.339 0.720 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.577 0.491 1.035 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.549 0.059 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.023 0.833 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.817 2.041 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.753 -1.444 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.191 -1.973 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.072 -1.141 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.714 2.591 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.268 2.257 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.477 1.030 3.680 1.00 0.00 H new ATOM 711 N GLY A 56 -7.032 -1.589 -0.355 1.00 0.00 N ATOM 712 CA GLY A 56 -7.138 -2.628 -1.362 1.00 0.00 C ATOM 713 C GLY A 56 -6.015 -2.569 -2.378 1.00 0.00 C ATOM 714 O GLY A 56 -5.467 -3.599 -2.768 1.00 0.00 O ATOM 0 H GLY A 56 -6.325 -1.756 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.132 -3.603 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.094 -2.534 -1.877 1.00 0.00 H new ATOM 718 N ASP A 57 -5.672 -1.361 -2.809 1.00 0.00 N ATOM 719 CA ASP A 57 -4.606 -1.171 -3.787 1.00 0.00 C ATOM 720 C ASP A 57 -3.306 -1.817 -3.313 1.00 0.00 C ATOM 721 O ASP A 57 -3.194 -2.228 -2.158 1.00 0.00 O ATOM 722 CB ASP A 57 -4.387 0.320 -4.042 1.00 0.00 C ATOM 723 CG ASP A 57 -5.517 0.943 -4.838 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.909 0.358 -5.871 1.00 0.00 O ATOM 725 OD2 ASP A 57 -6.013 2.015 -4.430 1.00 0.00 O ATOM 0 H ASP A 57 -6.116 -0.498 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.908 -1.653 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.290 0.838 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.448 0.460 -4.578 1.00 0.00 H new ATOM 730 N GLN A 58 -2.330 -1.905 -4.211 1.00 0.00 N ATOM 731 CA GLN A 58 -1.041 -2.503 -3.881 1.00 0.00 C ATOM 732 C GLN A 58 0.079 -1.890 -4.717 1.00 0.00 C ATOM 733 O GLN A 58 0.128 -2.071 -5.935 1.00 0.00 O ATOM 734 CB GLN A 58 -1.089 -4.018 -4.101 1.00 0.00 C ATOM 735 CG GLN A 58 -0.559 -4.820 -2.925 1.00 0.00 C ATOM 736 CD GLN A 58 0.679 -5.623 -3.274 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.789 -5.288 -2.860 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.494 -6.693 -4.040 1.00 0.00 N ATOM 0 H GLN A 58 -2.407 -1.570 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.834 -2.300 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.119 -4.316 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.509 -4.266 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.328 -4.142 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.338 -5.496 -2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.444 -6.934 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.290 -7.273 -4.307 1.00 0.00 H new ATOM 747 N ILE A 59 0.977 -1.167 -4.057 1.00 0.00 N ATOM 748 CA ILE A 59 2.096 -0.529 -4.738 1.00 0.00 C ATOM 749 C ILE A 59 3.092 -1.569 -5.243 1.00 0.00 C ATOM 750 O ILE A 59 3.623 -2.363 -4.466 1.00 0.00 O ATOM 751 CB ILE A 59 2.829 0.459 -3.808 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.831 1.424 -3.164 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.892 1.229 -4.580 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.443 2.294 -2.087 1.00 0.00 C ATOM 0 H ILE A 59 0.951 -1.008 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 59 1.684 0.019 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 59 3.321 -0.109 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.404 2.063 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.009 0.851 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.399 1.922 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.617 0.530 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.421 1.787 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.679 2.953 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.845 1.663 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.246 2.893 -2.516 1.00 0.00 H new ATOM 766 N VAL A 60 3.334 -1.563 -6.550 1.00 0.00 N ATOM 767 CA VAL A 60 4.260 -2.512 -7.159 1.00 0.00 C ATOM 768 C VAL A 60 5.520 -1.822 -7.675 1.00 0.00 C ATOM 769 O VAL A 60 6.338 -2.442 -8.355 1.00 0.00 O ATOM 770 CB VAL A 60 3.593 -3.272 -8.320 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.450 -4.135 -7.809 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.103 -2.301 -9.385 1.00 0.00 C ATOM 0 H VAL A 60 2.903 -0.913 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 60 4.541 -3.218 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 60 4.337 -3.927 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.992 -4.664 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.834 -4.858 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.704 -3.503 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.635 -2.857 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.376 -1.617 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.947 -1.732 -9.775 1.00 0.00 H new ATOM 782 N GLU A 61 5.679 -0.541 -7.353 1.00 0.00 N ATOM 783 CA GLU A 61 6.849 0.214 -7.792 1.00 0.00 C ATOM 784 C GLU A 61 6.891 1.593 -7.143 1.00 0.00 C ATOM 785 O GLU A 61 5.854 2.197 -6.871 1.00 0.00 O ATOM 786 CB GLU A 61 6.850 0.355 -9.315 1.00 0.00 C ATOM 787 CG GLU A 61 8.243 0.403 -9.920 1.00 0.00 C ATOM 788 CD GLU A 61 8.485 1.660 -10.734 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.967 2.728 -10.345 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.192 1.575 -11.761 1.00 0.00 O ATOM 0 H GLU A 61 5.016 -0.006 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 61 7.737 -0.337 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.303 -0.482 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.313 1.263 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.983 0.344 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.389 -0.470 -10.556 1.00 0.00 H new ATOM 797 N VAL A 62 8.102 2.086 -6.903 1.00 0.00 N ATOM 798 CA VAL A 62 8.290 3.395 -6.291 1.00 0.00 C ATOM 799 C VAL A 62 9.633 3.997 -6.697 1.00 0.00 C ATOM 800 O VAL A 62 10.675 3.642 -6.148 1.00 0.00 O ATOM 801 CB VAL A 62 8.218 3.317 -4.752 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.342 4.703 -4.134 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.925 2.644 -4.313 1.00 0.00 C ATOM 0 H VAL A 62 8.969 1.597 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 62 7.481 4.032 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 62 9.055 2.715 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.289 4.623 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.297 5.144 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.529 5.335 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.891 2.597 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.074 3.218 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.884 1.634 -4.721 1.00 0.00 H new ATOM 813 N ASN A 63 9.597 4.910 -7.663 1.00 0.00 N ATOM 814 CA ASN A 63 10.811 5.563 -8.144 1.00 0.00 C ATOM 815 C ASN A 63 11.757 4.551 -8.782 1.00 0.00 C ATOM 816 O ASN A 63 12.977 4.718 -8.744 1.00 0.00 O ATOM 817 CB ASN A 63 11.517 6.287 -6.996 1.00 0.00 C ATOM 818 CG ASN A 63 12.142 7.595 -7.437 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.618 7.721 -8.564 1.00 0.00 O ATOM 820 ND2 ASN A 63 12.143 8.580 -6.545 1.00 0.00 N ATOM 0 H ASN A 63 8.742 5.214 -8.128 1.00 0.00 H new ATOM 0 HA ASN A 63 10.525 6.293 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.801 6.480 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.290 5.639 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.550 9.484 -6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.737 8.432 -5.621 1.00 0.00 H new ATOM 827 N GLY A 64 11.189 3.500 -9.366 1.00 0.00 N ATOM 828 CA GLY A 64 12.001 2.479 -10.004 1.00 0.00 C ATOM 829 C GLY A 64 12.128 1.228 -9.157 1.00 0.00 C ATOM 830 O GLY A 64 12.281 0.126 -9.685 1.00 0.00 O ATOM 0 H GLY A 64 10.183 3.337 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.562 2.219 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.994 2.881 -10.204 1.00 0.00 H new ATOM 834 N VAL A 65 12.068 1.398 -7.841 1.00 0.00 N ATOM 835 CA VAL A 65 12.178 0.275 -6.920 1.00 0.00 C ATOM 836 C VAL A 65 10.948 -0.624 -6.999 1.00 0.00 C ATOM 837 O VAL A 65 9.831 -0.190 -6.721 1.00 0.00 O ATOM 838 CB VAL A 65 12.355 0.754 -5.467 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.666 -0.417 -4.550 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.445 1.811 -5.383 1.00 0.00 C ATOM 0 H VAL A 65 11.944 2.304 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 65 13.060 -0.292 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 65 11.418 1.203 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.787 -0.057 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.847 -1.135 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.587 -0.900 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.556 2.138 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.387 1.391 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.174 2.664 -6.006 1.00 0.00 H new ATOM 850 N ASP A 66 11.163 -1.878 -7.381 1.00 0.00 N ATOM 851 CA ASP A 66 10.071 -2.840 -7.498 1.00 0.00 C ATOM 852 C ASP A 66 9.506 -3.190 -6.126 1.00 0.00 C ATOM 853 O ASP A 66 10.233 -3.643 -5.241 1.00 0.00 O ATOM 854 CB ASP A 66 10.554 -4.109 -8.202 1.00 0.00 C ATOM 855 CG ASP A 66 10.971 -3.852 -9.638 1.00 0.00 C ATOM 856 OD1 ASP A 66 11.451 -2.736 -9.926 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.816 -4.768 -10.473 1.00 0.00 O ATOM 0 H ASP A 66 12.082 -2.253 -7.615 1.00 0.00 H new ATOM 0 HA ASP A 66 9.279 -2.383 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.396 -4.528 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.759 -4.855 -8.185 1.00 0.00 H new ATOM 862 N PHE A 67 8.206 -2.979 -5.955 1.00 0.00 N ATOM 863 CA PHE A 67 7.545 -3.275 -4.690 1.00 0.00 C ATOM 864 C PHE A 67 6.833 -4.625 -4.742 1.00 0.00 C ATOM 865 O PHE A 67 5.937 -4.893 -3.942 1.00 0.00 O ATOM 866 CB PHE A 67 6.543 -2.170 -4.345 1.00 0.00 C ATOM 867 CG PHE A 67 7.144 -1.031 -3.572 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.392 -0.531 -3.906 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.459 -0.460 -2.511 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.946 0.518 -3.197 1.00 0.00 C ATOM 871 CE2 PHE A 67 7.009 0.589 -1.797 1.00 0.00 C ATOM 872 CZ PHE A 67 8.255 1.078 -2.141 1.00 0.00 C ATOM 0 H PHE A 67 7.589 -2.604 -6.676 1.00 0.00 H new ATOM 0 HA PHE A 67 8.310 -3.322 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.110 -1.783 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.726 -2.600 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.938 -0.966 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.485 -0.838 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.919 0.900 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.466 1.025 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.687 1.897 -1.585 1.00 0.00 H new ATOM 882 N SER A 68 7.235 -5.470 -5.687 1.00 0.00 N ATOM 883 CA SER A 68 6.633 -6.791 -5.834 1.00 0.00 C ATOM 884 C SER A 68 6.840 -7.619 -4.570 1.00 0.00 C ATOM 885 O SER A 68 5.935 -8.322 -4.120 1.00 0.00 O ATOM 886 CB SER A 68 7.232 -7.518 -7.039 1.00 0.00 C ATOM 887 OG SER A 68 6.241 -8.249 -7.739 1.00 0.00 O ATOM 0 H SER A 68 7.973 -5.264 -6.361 1.00 0.00 H new ATOM 0 HA SER A 68 5.563 -6.662 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.696 -6.795 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.019 -8.194 -6.705 1.00 0.00 H new ATOM 0 HG SER A 68 6.650 -8.703 -8.505 1.00 0.00 H new ATOM 893 N ASN A 69 8.037 -7.525 -4.001 1.00 0.00 N ATOM 894 CA ASN A 69 8.367 -8.258 -2.786 1.00 0.00 C ATOM 895 C ASN A 69 9.180 -7.385 -1.834 1.00 0.00 C ATOM 896 O ASN A 69 9.982 -7.887 -1.047 1.00 0.00 O ATOM 897 CB ASN A 69 9.148 -9.529 -3.127 1.00 0.00 C ATOM 898 CG ASN A 69 10.297 -9.263 -4.082 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.085 -8.960 -5.255 1.00 0.00 O ATOM 900 ND2 ASN A 69 11.521 -9.378 -3.581 1.00 0.00 N ATOM 0 H ASN A 69 8.795 -6.947 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 69 7.436 -8.537 -2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.537 -9.971 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.472 -10.260 -3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.333 -9.213 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.649 -9.632 -2.601 1.00 0.00 H new ATOM 907 N LEU A 70 8.967 -6.075 -1.914 1.00 0.00 N ATOM 908 CA LEU A 70 9.679 -5.130 -1.061 1.00 0.00 C ATOM 909 C LEU A 70 9.192 -5.227 0.381 1.00 0.00 C ATOM 910 O LEU A 70 7.999 -5.398 0.634 1.00 0.00 O ATOM 911 CB LEU A 70 9.495 -3.702 -1.581 1.00 0.00 C ATOM 912 CG LEU A 70 10.190 -2.616 -0.754 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.343 -2.004 -1.533 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.196 -1.541 -0.336 1.00 0.00 C ATOM 0 H LEU A 70 8.307 -5.644 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 70 10.739 -5.383 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.869 -3.653 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.428 -3.481 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 70 10.593 -3.079 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.823 -1.235 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.069 -2.779 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.965 -1.558 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.709 -0.779 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.760 -1.083 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.406 -1.990 0.265 1.00 0.00 H new ATOM 926 N ASP A 71 10.124 -5.120 1.323 1.00 0.00 N ATOM 927 CA ASP A 71 9.789 -5.197 2.741 1.00 0.00 C ATOM 928 C ASP A 71 8.903 -4.027 3.157 1.00 0.00 C ATOM 929 O ASP A 71 8.925 -2.965 2.536 1.00 0.00 O ATOM 930 CB ASP A 71 11.064 -5.211 3.586 1.00 0.00 C ATOM 931 CG ASP A 71 10.948 -6.126 4.791 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.724 -7.338 4.596 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.082 -5.629 5.928 1.00 0.00 O ATOM 0 H ASP A 71 11.116 -4.980 1.131 1.00 0.00 H new ATOM 0 HA ASP A 71 9.238 -6.123 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.903 -5.532 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.285 -4.198 3.922 1.00 0.00 H new ATOM 938 N HIS A 72 8.122 -4.231 4.215 1.00 0.00 N ATOM 939 CA HIS A 72 7.228 -3.195 4.718 1.00 0.00 C ATOM 940 C HIS A 72 8.005 -1.938 5.094 1.00 0.00 C ATOM 941 O HIS A 72 7.704 -0.842 4.616 1.00 0.00 O ATOM 942 CB HIS A 72 6.453 -3.712 5.933 1.00 0.00 C ATOM 943 CG HIS A 72 5.258 -2.879 6.281 1.00 0.00 C ATOM 944 ND1 HIS A 72 5.052 -1.611 5.780 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.202 -3.140 7.085 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.921 -1.128 6.264 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.386 -2.036 7.058 1.00 0.00 N ATOM 0 H HIS A 72 8.091 -5.105 4.740 1.00 0.00 H new ATOM 0 HA HIS A 72 6.525 -2.940 3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.129 -4.734 5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.123 -3.748 6.792 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.032 -4.048 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.505 -0.155 6.047 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.509 -1.934 7.569 1.00 0.00 H new ATOM 956 N LYS A 73 9.006 -2.102 5.952 1.00 0.00 N ATOM 957 CA LYS A 73 9.829 -0.981 6.393 1.00 0.00 C ATOM 958 C LYS A 73 10.473 -0.276 5.203 1.00 0.00 C ATOM 959 O LYS A 73 10.559 0.950 5.168 1.00 0.00 O ATOM 960 CB LYS A 73 10.910 -1.464 7.362 1.00 0.00 C ATOM 961 CG LYS A 73 10.454 -1.501 8.813 1.00 0.00 C ATOM 962 CD LYS A 73 11.603 -1.838 9.751 1.00 0.00 C ATOM 963 CE LYS A 73 11.711 -0.830 10.884 1.00 0.00 C ATOM 964 NZ LYS A 73 11.890 0.559 10.377 1.00 0.00 N ATOM 0 H LYS A 73 9.267 -3.001 6.356 1.00 0.00 H new ATOM 0 HA LYS A 73 9.183 -0.269 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.232 -2.462 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.779 -0.811 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.031 -0.535 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.661 -2.240 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.457 -2.836 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.538 -1.859 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.813 -0.879 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.552 -1.094 11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.428 1.116 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.409 0.536 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.959 0.997 10.229 1.00 0.00 H new ATOM 978 N GLU A 74 10.923 -1.061 4.229 1.00 0.00 N ATOM 979 CA GLU A 74 11.556 -0.511 3.037 1.00 0.00 C ATOM 980 C GLU A 74 10.604 0.423 2.297 1.00 0.00 C ATOM 981 O GLU A 74 11.006 1.479 1.809 1.00 0.00 O ATOM 982 CB GLU A 74 12.011 -1.641 2.109 1.00 0.00 C ATOM 983 CG GLU A 74 13.498 -1.940 2.197 1.00 0.00 C ATOM 984 CD GLU A 74 14.327 -1.049 1.293 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.797 -0.598 0.256 1.00 0.00 O ATOM 986 OE2 GLU A 74 15.506 -0.802 1.622 1.00 0.00 O ATOM 0 H GLU A 74 10.861 -2.079 4.242 1.00 0.00 H new ATOM 0 HA GLU A 74 12.427 0.064 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.452 -2.545 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.762 -1.378 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.830 -1.814 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.671 -2.983 1.931 1.00 0.00 H new ATOM 993 N ALA A 75 9.337 0.025 2.219 1.00 0.00 N ATOM 994 CA ALA A 75 8.324 0.826 1.543 1.00 0.00 C ATOM 995 C ALA A 75 8.134 2.168 2.240 1.00 0.00 C ATOM 996 O ALA A 75 8.104 3.217 1.598 1.00 0.00 O ATOM 997 CB ALA A 75 7.007 0.071 1.483 1.00 0.00 C ATOM 0 H ALA A 75 8.989 -0.848 2.616 1.00 0.00 H new ATOM 0 HA ALA A 75 8.666 1.017 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.260 0.682 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.147 -0.861 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.668 -0.150 2.495 1.00 0.00 H new ATOM 1003 N VAL A 76 8.006 2.126 3.561 1.00 0.00 N ATOM 1004 CA VAL A 76 7.818 3.339 4.344 1.00 0.00 C ATOM 1005 C VAL A 76 9.079 4.198 4.337 1.00 0.00 C ATOM 1006 O VAL A 76 9.004 5.425 4.321 1.00 0.00 O ATOM 1007 CB VAL A 76 7.438 3.016 5.802 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.130 4.291 6.571 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.256 2.060 5.846 1.00 0.00 C ATOM 0 H VAL A 76 8.029 1.267 4.110 1.00 0.00 H new ATOM 0 HA VAL A 76 7.002 3.891 3.879 1.00 0.00 H new ATOM 0 HB VAL A 76 8.288 2.529 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.864 4.041 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.008 4.937 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.297 4.810 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.002 1.843 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.400 2.517 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.518 1.133 5.336 1.00 0.00 H new ATOM 1019 N ASN A 77 10.237 3.545 4.351 1.00 0.00 N ATOM 1020 CA ASN A 77 11.514 4.252 4.352 1.00 0.00 C ATOM 1021 C ASN A 77 11.687 5.083 3.083 1.00 0.00 C ATOM 1022 O ASN A 77 11.858 6.300 3.148 1.00 0.00 O ATOM 1023 CB ASN A 77 12.670 3.260 4.488 1.00 0.00 C ATOM 1024 CG ASN A 77 13.754 3.759 5.424 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.803 4.227 4.983 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.505 3.660 6.724 1.00 0.00 N ATOM 0 H ASN A 77 10.318 2.528 4.362 1.00 0.00 H new ATOM 0 HA ASN A 77 11.521 4.929 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.287 2.308 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.101 3.072 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.198 3.979 7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.621 3.265 7.045 1.00 0.00 H new ATOM 1033 N VAL A 78 11.646 4.421 1.933 1.00 0.00 N ATOM 1034 CA VAL A 78 11.803 5.106 0.655 1.00 0.00 C ATOM 1035 C VAL A 78 10.751 6.198 0.481 1.00 0.00 C ATOM 1036 O VAL A 78 11.050 7.287 -0.008 1.00 0.00 O ATOM 1037 CB VAL A 78 11.718 4.122 -0.527 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.859 3.119 -0.464 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.377 3.408 -0.541 1.00 0.00 C ATOM 0 H VAL A 78 11.506 3.413 1.859 1.00 0.00 H new ATOM 0 HA VAL A 78 12.793 5.563 0.661 1.00 0.00 H new ATOM 0 HB VAL A 78 11.807 4.690 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.785 2.431 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.811 3.648 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.800 2.559 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.341 2.719 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.251 2.852 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.576 4.141 -0.637 1.00 0.00 H new ATOM 1049 N LEU A 79 9.522 5.902 0.894 1.00 0.00 N ATOM 1050 CA LEU A 79 8.431 6.864 0.790 1.00 0.00 C ATOM 1051 C LEU A 79 8.667 8.051 1.721 1.00 0.00 C ATOM 1052 O LEU A 79 8.271 9.177 1.419 1.00 0.00 O ATOM 1053 CB LEU A 79 7.096 6.193 1.123 1.00 0.00 C ATOM 1054 CG LEU A 79 6.317 5.657 -0.083 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.778 6.802 -0.923 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.199 4.745 -0.923 1.00 0.00 C ATOM 0 H LEU A 79 9.258 5.006 1.303 1.00 0.00 H new ATOM 0 HA LEU A 79 8.396 7.230 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.284 5.368 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.468 6.911 1.651 1.00 0.00 H new ATOM 0 HG LEU A 79 5.471 5.075 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.228 6.401 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.112 7.416 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.607 7.412 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.630 4.373 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.064 5.304 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.535 3.904 -0.316 1.00 0.00 H new ATOM 1068 N LYS A 80 9.318 7.789 2.851 1.00 0.00 N ATOM 1069 CA LYS A 80 9.613 8.835 3.825 1.00 0.00 C ATOM 1070 C LYS A 80 10.830 9.648 3.397 1.00 0.00 C ATOM 1071 O LYS A 80 10.901 10.853 3.635 1.00 0.00 O ATOM 1072 CB LYS A 80 9.857 8.220 5.207 1.00 0.00 C ATOM 1073 CG LYS A 80 8.671 8.342 6.150 1.00 0.00 C ATOM 1074 CD LYS A 80 7.398 7.790 5.527 1.00 0.00 C ATOM 1075 CE LYS A 80 6.199 7.991 6.440 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.298 9.069 5.946 1.00 0.00 N ATOM 0 H LYS A 80 9.651 6.862 3.115 1.00 0.00 H new ATOM 0 HA LYS A 80 8.752 9.502 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.107 7.166 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.722 8.703 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.885 7.807 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.522 9.389 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.216 8.282 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.524 6.728 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.641 7.058 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.545 8.239 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.633 9.338 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.865 9.897 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.766 8.726 5.121 1.00 0.00 H new ATOM 1090 N SER A 81 11.788 8.977 2.766 1.00 0.00 N ATOM 1091 CA SER A 81 13.007 9.630 2.307 1.00 0.00 C ATOM 1092 C SER A 81 12.696 10.706 1.270 1.00 0.00 C ATOM 1093 O SER A 81 13.030 11.876 1.457 1.00 0.00 O ATOM 1094 CB SER A 81 13.971 8.601 1.716 1.00 0.00 C ATOM 1095 OG SER A 81 15.314 8.912 2.043 1.00 0.00 O ATOM 0 H SER A 81 11.743 7.979 2.561 1.00 0.00 H new ATOM 0 HA SER A 81 13.477 10.107 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.723 7.608 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.855 8.570 0.633 1.00 0.00 H new ATOM 0 HG SER A 81 15.910 8.238 1.655 1.00 0.00 H new ATOM 1101 N SER A 82 12.057 10.303 0.177 1.00 0.00 N ATOM 1102 CA SER A 82 11.706 11.237 -0.889 1.00 0.00 C ATOM 1103 C SER A 82 10.258 11.696 -0.759 1.00 0.00 C ATOM 1104 O SER A 82 9.331 10.887 -0.817 1.00 0.00 O ATOM 1105 CB SER A 82 11.928 10.589 -2.256 1.00 0.00 C ATOM 1106 OG SER A 82 13.220 10.890 -2.759 1.00 0.00 O ATOM 0 H SER A 82 11.772 9.339 0.005 1.00 0.00 H new ATOM 0 HA SER A 82 12.352 12.110 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.809 9.509 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.170 10.941 -2.956 1.00 0.00 H new ATOM 0 HG SER A 82 13.338 10.463 -3.633 1.00 0.00 H new ATOM 1112 N ARG A 83 10.068 13.001 -0.588 1.00 0.00 N ATOM 1113 CA ARG A 83 8.732 13.569 -0.456 1.00 0.00 C ATOM 1114 C ARG A 83 7.958 13.436 -1.763 1.00 0.00 C ATOM 1115 O ARG A 83 6.764 13.140 -1.761 1.00 0.00 O ATOM 1116 CB ARG A 83 8.820 15.040 -0.045 1.00 0.00 C ATOM 1117 CG ARG A 83 9.596 15.902 -1.026 1.00 0.00 C ATOM 1118 CD ARG A 83 9.692 17.343 -0.549 1.00 0.00 C ATOM 1119 NE ARG A 83 10.470 17.460 0.682 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.417 18.513 1.496 1.00 0.00 C ATOM 1121 NH1 ARG A 83 9.626 19.540 1.211 1.00 0.00 N ATOM 1122 NH2 ARG A 83 11.157 18.539 2.595 1.00 0.00 N ATOM 0 H ARG A 83 10.823 13.685 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 83 8.200 13.016 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.811 15.440 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.291 15.107 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.598 15.494 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.110 15.872 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.151 17.953 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.690 17.738 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 83 11.090 16.690 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.055 19.525 0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.589 20.344 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.767 17.753 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.116 19.345 3.218 1.00 0.00 H new ATOM 1136 N SER A 84 8.650 13.651 -2.877 1.00 0.00 N ATOM 1137 CA SER A 84 8.033 13.550 -4.195 1.00 0.00 C ATOM 1138 C SER A 84 8.617 12.373 -4.971 1.00 0.00 C ATOM 1139 O SER A 84 9.761 12.424 -5.423 1.00 0.00 O ATOM 1140 CB SER A 84 8.237 14.847 -4.979 1.00 0.00 C ATOM 1141 OG SER A 84 9.501 15.421 -4.697 1.00 0.00 O ATOM 0 H SER A 84 9.640 13.897 -2.893 1.00 0.00 H new ATOM 0 HA SER A 84 6.964 13.384 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.156 14.646 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.448 15.556 -4.727 1.00 0.00 H new ATOM 0 HG SER A 84 9.607 16.248 -5.212 1.00 0.00 H new ATOM 1147 N LEU A 85 7.829 11.313 -5.114 1.00 0.00 N ATOM 1148 CA LEU A 85 8.276 10.122 -5.831 1.00 0.00 C ATOM 1149 C LEU A 85 7.132 9.482 -6.609 1.00 0.00 C ATOM 1150 O LEU A 85 5.980 9.502 -6.173 1.00 0.00 O ATOM 1151 CB LEU A 85 8.878 9.097 -4.856 1.00 0.00 C ATOM 1152 CG LEU A 85 8.733 9.434 -3.369 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.264 9.472 -2.973 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.492 8.426 -2.518 1.00 0.00 C ATOM 0 H LEU A 85 6.880 11.253 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 85 9.043 10.434 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.409 8.130 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.938 8.985 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 85 9.161 10.421 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.179 9.713 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.748 10.232 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.811 8.499 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.378 8.681 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.093 7.427 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.549 8.447 -2.784 1.00 0.00 H new ATOM 1166 N THR A 86 7.462 8.902 -7.760 1.00 0.00 N ATOM 1167 CA THR A 86 6.468 8.241 -8.596 1.00 0.00 C ATOM 1168 C THR A 86 6.265 6.804 -8.130 1.00 0.00 C ATOM 1169 O THR A 86 7.214 6.025 -8.063 1.00 0.00 O ATOM 1170 CB THR A 86 6.905 8.261 -10.062 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.214 9.578 -10.477 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.853 7.716 -11.006 1.00 0.00 C ATOM 0 H THR A 86 8.411 8.877 -8.134 1.00 0.00 H new ATOM 0 HA THR A 86 5.524 8.779 -8.507 1.00 0.00 H new ATOM 0 HB THR A 86 7.783 7.618 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.492 9.568 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.226 7.758 -12.029 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.629 6.682 -10.744 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.946 8.315 -10.925 1.00 0.00 H new ATOM 1180 N ILE A 87 5.025 6.463 -7.800 1.00 0.00 N ATOM 1181 CA ILE A 87 4.708 5.120 -7.326 1.00 0.00 C ATOM 1182 C ILE A 87 3.728 4.414 -8.258 1.00 0.00 C ATOM 1183 O ILE A 87 2.656 4.938 -8.561 1.00 0.00 O ATOM 1184 CB ILE A 87 4.114 5.156 -5.905 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.013 6.217 -5.814 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.209 5.429 -4.884 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.454 6.398 -4.420 1.00 0.00 C ATOM 0 H ILE A 87 4.225 7.094 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 87 5.645 4.564 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 87 3.672 4.184 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.410 7.170 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.201 5.944 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.776 5.452 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.960 4.641 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.676 6.390 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.680 7.165 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.026 5.457 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.253 6.702 -3.744 1.00 0.00 H new ATOM 1199 N SER A 88 4.102 3.219 -8.701 1.00 0.00 N ATOM 1200 CA SER A 88 3.258 2.432 -9.590 1.00 0.00 C ATOM 1201 C SER A 88 2.426 1.435 -8.791 1.00 0.00 C ATOM 1202 O SER A 88 2.960 0.494 -8.204 1.00 0.00 O ATOM 1203 CB SER A 88 4.110 1.694 -10.625 1.00 0.00 C ATOM 1204 OG SER A 88 5.194 2.496 -11.059 1.00 0.00 O ATOM 0 H SER A 88 4.987 2.774 -8.458 1.00 0.00 H new ATOM 0 HA SER A 88 2.585 3.112 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.489 0.767 -10.194 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.492 1.419 -11.480 1.00 0.00 H new ATOM 0 HG SER A 88 5.724 2.001 -11.718 1.00 0.00 H new ATOM 1210 N ILE A 89 1.116 1.651 -8.770 1.00 0.00 N ATOM 1211 CA ILE A 89 0.210 0.776 -8.037 1.00 0.00 C ATOM 1212 C ILE A 89 -0.698 0.006 -8.990 1.00 0.00 C ATOM 1213 O ILE A 89 -1.038 0.492 -10.066 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.654 1.582 -7.043 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.618 0.660 -6.286 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.409 2.688 -7.768 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.937 0.420 -6.996 1.00 0.00 C ATOM 0 H ILE A 89 0.658 2.424 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 89 0.823 0.067 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 89 0.006 2.046 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.129 -0.300 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.820 1.091 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.013 3.246 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.697 3.362 -8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.058 2.249 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.559 -0.242 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.451 1.370 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.750 -0.041 -7.966 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.089 -1.198 -8.589 1.00 0.00 N ATOM 1230 CA VAL A 90 -1.957 -2.029 -9.411 1.00 0.00 C ATOM 1231 C VAL A 90 -3.235 -2.389 -8.660 1.00 0.00 C ATOM 1232 O VAL A 90 -3.197 -3.081 -7.642 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.245 -3.321 -9.853 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.111 -4.104 -10.828 1.00 0.00 C ATOM 1235 CG2 VAL A 90 0.111 -3.001 -10.466 1.00 0.00 C ATOM 0 H VAL A 90 -0.818 -1.619 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.211 -1.448 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.081 -3.943 -8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.590 -5.013 -11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.053 -4.368 -10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.311 -3.493 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.599 -3.926 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.025 -2.358 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.731 -2.490 -9.730 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.364 -1.910 -9.168 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.657 -2.168 -8.546 1.00 0.00 C ATOM 1247 C ALA A 91 -5.923 -3.665 -8.407 1.00 0.00 C ATOM 1248 O ALA A 91 -5.651 -4.442 -9.323 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.769 -1.511 -9.350 1.00 0.00 C ATOM 0 H ALA A 91 -4.410 -1.339 -10.012 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.636 -1.737 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.729 -1.712 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.602 -0.435 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.774 -1.915 -10.362 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.462 -4.058 -7.251 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.783 -5.458 -6.969 1.00 0.00 C ATOM 1257 C ALA A 92 -5.566 -6.241 -6.475 1.00 0.00 C ATOM 1258 O ALA A 92 -5.711 -7.316 -5.891 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.384 -6.134 -8.193 1.00 0.00 C ATOM 0 H ALA A 92 -6.687 -3.419 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.521 -5.458 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.614 -7.173 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.299 -5.616 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.670 -6.097 -9.016 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.369 -5.707 -6.701 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.145 -6.370 -6.263 1.00 0.00 C ATOM 1267 C ALA A 93 -3.160 -6.605 -4.754 1.00 0.00 C ATOM 1268 O ALA A 93 -2.453 -7.474 -4.244 1.00 0.00 O ATOM 1269 CB ALA A 93 -1.930 -5.545 -6.662 1.00 0.00 C ATOM 0 H ALA A 93 -4.221 -4.820 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.087 -7.341 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.023 -6.050 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.907 -5.432 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.989 -4.561 -6.196 1.00 0.00 H new ATOM 1275 N GLY A 94 -3.968 -5.821 -4.050 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.069 -5.946 -2.607 1.00 0.00 C ATOM 1277 C GLY A 94 -5.459 -6.350 -2.154 1.00 0.00 C ATOM 1278 O GLY A 94 -5.616 -7.011 -1.128 1.00 0.00 O ATOM 0 H GLY A 94 -4.559 -5.096 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.348 -6.685 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.801 -4.996 -2.144 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.470 -5.938 -2.915 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.857 -6.247 -2.579 1.00 0.00 C ATOM 1284 C ARG A 95 -8.064 -7.750 -2.440 1.00 0.00 C ATOM 1285 O ARG A 95 -8.850 -8.201 -1.607 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.796 -5.694 -3.653 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.704 -4.187 -3.827 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.386 -3.730 -5.107 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.826 -3.559 -4.929 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.656 -3.206 -5.907 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.194 -2.984 -7.131 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.953 -3.074 -5.660 1.00 0.00 N ATOM 0 H ARG A 95 -6.355 -5.390 -3.768 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.085 -5.777 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.569 -6.175 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.822 -5.960 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.165 -3.692 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.657 -3.885 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.947 -2.788 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.202 -4.459 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.218 -3.720 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.198 -3.084 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.835 -2.714 -7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.313 -3.243 -4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.590 -2.803 -6.409 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.349 -8.524 -3.249 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.455 -9.977 -3.196 1.00 0.00 C ATOM 1308 C GLU A 96 -7.141 -10.478 -1.789 1.00 0.00 C ATOM 1309 O GLU A 96 -7.820 -11.362 -1.265 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.503 -10.618 -4.207 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.867 -12.050 -4.564 1.00 0.00 C ATOM 1312 CD GLU A 96 -7.519 -12.164 -5.929 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -8.177 -11.191 -6.354 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -7.372 -13.224 -6.570 1.00 0.00 O ATOM 0 H GLU A 96 -6.693 -8.172 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.476 -10.260 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.494 -10.017 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.491 -10.599 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.968 -12.666 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.544 -12.448 -3.808 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.111 -9.896 -1.182 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.702 -10.266 0.169 1.00 0.00 C ATOM 1323 C LEU A 97 -6.716 -9.776 1.197 1.00 0.00 C ATOM 1324 O LEU A 97 -7.144 -10.530 2.073 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.322 -9.685 0.483 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.149 -10.386 -0.205 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.972 -11.792 0.344 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.357 -10.421 -1.711 1.00 0.00 C ATOM 0 H LEU A 97 -5.542 -9.163 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.653 -11.354 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.314 -8.633 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.166 -9.723 1.561 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.241 -9.820 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.133 -12.275 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.775 -11.742 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.880 -12.368 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.513 -10.923 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.275 -10.962 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.432 -9.402 -2.092 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.095 -8.503 1.088 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.055 -7.900 2.009 1.00 0.00 C ATOM 1342 C PHE A 98 -9.308 -8.763 2.145 1.00 0.00 C ATOM 1343 O PHE A 98 -9.912 -8.834 3.215 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.434 -6.496 1.534 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.736 -5.402 2.291 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.488 -4.951 1.891 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -8.328 -4.825 3.403 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -5.843 -3.947 2.588 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -7.689 -3.820 4.103 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.444 -3.380 3.694 1.00 0.00 C ATOM 0 H PHE A 98 -6.750 -7.868 0.368 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.583 -7.831 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.197 -6.403 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.512 -6.366 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.014 -5.389 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.301 -5.165 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.870 -3.606 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.161 -3.379 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.942 -2.594 4.239 1.00 0.00 H new ATOM 1360 N MET A 99 -9.690 -9.420 1.055 1.00 0.00 N ATOM 1361 CA MET A 99 -10.869 -10.279 1.056 1.00 0.00 C ATOM 1362 C MET A 99 -10.628 -11.526 1.902 1.00 0.00 C ATOM 1363 O MET A 99 -10.471 -12.627 1.374 1.00 0.00 O ATOM 1364 CB MET A 99 -11.236 -10.679 -0.374 1.00 0.00 C ATOM 1365 CG MET A 99 -11.718 -9.516 -1.226 1.00 0.00 C ATOM 1366 SD MET A 99 -13.387 -8.983 -0.794 1.00 0.00 S ATOM 1367 CE MET A 99 -13.067 -7.328 -0.190 1.00 0.00 C ATOM 0 H MET A 99 -9.201 -9.374 0.161 1.00 0.00 H new ATOM 0 HA MET A 99 -11.698 -9.720 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.366 -11.132 -0.850 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.014 -11.441 -0.341 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.032 -8.677 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.694 -9.806 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.005 -6.865 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.390 -7.377 0.663 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.611 -6.734 -0.982 1.00 0.00 H new ATOM 1377 N THR A 100 -10.601 -11.343 3.218 1.00 0.00 N ATOM 1378 CA THR A 100 -10.375 -12.452 4.140 1.00 0.00 C ATOM 1379 C THR A 100 -11.694 -13.004 4.684 1.00 0.00 C ATOM 1380 O THR A 100 -11.699 -13.967 5.449 1.00 0.00 O ATOM 1381 CB THR A 100 -9.485 -12.001 5.300 1.00 0.00 C ATOM 1382 OG1 THR A 100 -8.266 -11.464 4.817 1.00 0.00 O ATOM 1383 CG2 THR A 100 -9.146 -13.119 6.262 1.00 0.00 C ATOM 0 H THR A 100 -10.733 -10.438 3.670 1.00 0.00 H new ATOM 0 HA THR A 100 -9.876 -13.248 3.587 1.00 0.00 H new ATOM 0 HB THR A 100 -10.064 -11.247 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.711 -11.180 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.513 -12.732 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.064 -13.522 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.617 -13.909 5.730 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -4.424 -13.155 12.584 1.00 0.00 N ATOM 1393 CA THR B 111 -4.363 -11.818 13.162 1.00 0.00 C ATOM 1394 C THR B 111 -4.158 -10.764 12.077 1.00 0.00 C ATOM 1395 O THR B 111 -3.533 -11.030 11.050 1.00 0.00 O ATOM 1396 CB THR B 111 -3.231 -11.734 14.189 1.00 0.00 C ATOM 1397 OG1 THR B 111 -2.002 -12.141 13.615 1.00 0.00 O ATOM 1398 CG2 THR B 111 -3.473 -12.587 15.415 1.00 0.00 C ATOM 0 HA THR B 111 -5.313 -11.622 13.660 1.00 0.00 H new ATOM 0 HB THR B 111 -3.195 -10.689 14.496 1.00 0.00 H new ATOM 0 HG1 THR B 111 -2.151 -12.923 13.044 1.00 0.00 H new ATOM 0 HG21 THR B 111 -2.634 -12.482 16.103 1.00 0.00 H new ATOM 0 HG22 THR B 111 -4.389 -12.263 15.909 1.00 0.00 H new ATOM 0 HG23 THR B 111 -3.571 -13.631 15.118 1.00 0.00 H new ATOM 1406 N PRO B 112 -4.684 -9.545 12.290 1.00 0.00 N ATOM 1407 CA PRO B 112 -4.556 -8.449 11.325 1.00 0.00 C ATOM 1408 C PRO B 112 -3.103 -8.177 10.948 1.00 0.00 C ATOM 1409 O PRO B 112 -2.191 -8.408 11.743 1.00 0.00 O ATOM 1410 CB PRO B 112 -5.147 -7.246 12.063 1.00 0.00 C ATOM 1411 CG PRO B 112 -6.067 -7.836 13.077 1.00 0.00 C ATOM 1412 CD PRO B 112 -5.444 -9.141 13.487 1.00 0.00 C ATOM 0 HA PRO B 112 -5.059 -8.677 10.386 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -4.367 -6.650 12.536 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -5.682 -6.586 11.380 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -6.182 -7.172 13.934 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -7.061 -7.992 12.659 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -4.795 -9.022 14.354 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -6.199 -9.881 13.753 1.00 0.00 H new ATOM 1420 N LEU B 113 -2.894 -7.683 9.732 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.553 -7.377 9.251 1.00 0.00 C ATOM 1422 C LEU B 113 -1.104 -6.001 9.730 1.00 0.00 C ATOM 1423 O LEU B 113 -1.928 -5.127 10.001 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.510 -7.439 7.723 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.983 -8.760 7.114 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.668 -8.514 5.777 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.813 -9.718 6.947 1.00 0.00 C ATOM 0 H LEU B 113 -3.637 -7.486 9.062 1.00 0.00 H new ATOM 0 HA LEU B 113 -0.869 -8.123 9.657 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.125 -6.632 7.325 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.487 -7.251 7.396 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.705 -9.215 7.792 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.998 -9.464 5.357 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.530 -7.863 5.924 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.967 -8.039 5.091 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.167 -10.653 6.513 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.068 -9.271 6.289 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.364 -9.917 7.920 1.00 0.00 H new ATOM 1439 N GLU B 114 0.208 -5.812 9.831 1.00 0.00 N ATOM 1440 CA GLU B 114 0.765 -4.540 10.277 1.00 0.00 C ATOM 1441 C GLU B 114 0.384 -3.414 9.322 1.00 0.00 C ATOM 1442 O GLU B 114 0.217 -3.634 8.123 1.00 0.00 O ATOM 1443 CB GLU B 114 2.288 -4.637 10.389 1.00 0.00 C ATOM 1444 CG GLU B 114 2.761 -5.759 11.301 1.00 0.00 C ATOM 1445 CD GLU B 114 3.713 -5.276 12.376 1.00 0.00 C ATOM 1446 OE1 GLU B 114 4.928 -5.198 12.102 1.00 0.00 O ATOM 1447 OE2 GLU B 114 3.243 -4.974 13.494 1.00 0.00 O ATOM 0 H GLU B 114 0.905 -6.523 9.610 1.00 0.00 H new ATOM 0 HA GLU B 114 0.349 -4.315 11.259 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.708 -4.787 9.395 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.678 -3.689 10.760 1.00 0.00 H new ATOM 0 HG2 GLU B 114 1.897 -6.229 11.771 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.254 -6.525 10.702 1.00 0.00 H new ATOM 1454 N ILE B 115 0.250 -2.208 9.862 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.109 -1.047 9.058 1.00 0.00 C ATOM 1456 C ILE B 115 0.746 0.162 9.424 1.00 0.00 C ATOM 1457 O ILE B 115 1.214 0.283 10.556 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.596 -0.681 9.231 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.471 -1.923 9.058 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.995 0.398 8.235 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.925 -1.692 9.414 1.00 0.00 C ATOM 0 H ILE B 115 0.385 -2.009 10.853 1.00 0.00 H new ATOM 0 HA ILE B 115 0.073 -1.316 8.017 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.745 -0.291 10.238 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.408 -2.261 8.024 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.076 -2.726 9.681 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.048 0.646 8.369 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.389 1.288 8.401 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.835 0.034 7.220 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.486 -2.615 9.268 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -4.000 -1.383 10.457 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.337 -0.911 8.774 1.00 0.00 H new ATOM 1473 N THR B 116 0.945 1.054 8.460 1.00 0.00 N ATOM 1474 CA THR B 116 1.744 2.254 8.682 1.00 0.00 C ATOM 1475 C THR B 116 1.052 3.484 8.104 1.00 0.00 C ATOM 1476 O THR B 116 0.344 3.395 7.102 1.00 0.00 O ATOM 1477 CB THR B 116 3.129 2.091 8.055 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.736 0.887 8.485 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.073 3.226 8.388 1.00 0.00 C ATOM 0 H THR B 116 0.564 0.969 7.518 1.00 0.00 H new ATOM 0 HA THR B 116 1.853 2.394 9.757 1.00 0.00 H new ATOM 0 HB THR B 116 2.960 2.084 6.978 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.710 0.998 8.498 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.038 3.048 7.912 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.656 4.165 8.024 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.206 3.283 9.468 1.00 0.00 H new ATOM 1487 N GLU B 117 1.262 4.630 8.742 1.00 0.00 N ATOM 1488 CA GLU B 117 0.657 5.877 8.290 1.00 0.00 C ATOM 1489 C GLU B 117 1.673 6.734 7.540 1.00 0.00 C ATOM 1490 O GLU B 117 2.767 6.999 8.038 1.00 0.00 O ATOM 1491 CB GLU B 117 0.093 6.656 9.484 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.419 6.801 9.454 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.881 8.180 9.878 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.419 8.663 10.932 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.706 8.778 9.155 1.00 0.00 O ATOM 0 H GLU B 117 1.846 4.721 9.573 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.157 5.632 7.608 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.383 6.152 10.406 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.545 7.648 9.507 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.780 6.595 8.446 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.865 6.055 10.111 1.00 0.00 H new ATOM 1502 N LEU B 118 1.303 7.162 6.337 1.00 0.00 N ATOM 1503 CA LEU B 118 2.180 7.987 5.516 1.00 0.00 C ATOM 1504 C LEU B 118 1.532 9.334 5.212 1.00 0.00 C ATOM 1505 O LEU B 118 0.414 9.578 5.712 1.00 0.00 O ATOM 1506 CB LEU B 118 2.522 7.266 4.211 1.00 0.00 C ATOM 1507 CG LEU B 118 2.847 5.779 4.359 1.00 0.00 C ATOM 1508 CD1 LEU B 118 3.008 5.128 2.994 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.105 5.590 5.193 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.147 10.133 4.474 1.00 0.00 O ATOM 0 H LEU B 118 0.401 6.951 5.910 1.00 0.00 H new ATOM 0 HA LEU B 118 3.099 8.164 6.075 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.682 7.372 3.524 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.375 7.765 3.751 1.00 0.00 H new ATOM 0 HG LEU B 118 2.017 5.295 4.873 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.239 4.070 3.120 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.081 5.232 2.430 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.819 5.614 2.452 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.322 4.526 5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.943 6.089 4.706 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.953 6.020 6.183 1.00 0.00 H new TER 1522 LEU B 118