USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1085 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 110 HIS : no HD1:sc= 1.09 K(o=0.88,f=-5.8!) USER MOD Set 1.2: A 111 SER OG : rot -94:sc= -0.21 USER MOD Set 2.1: A 65 ASN : amide:sc= -3.54! C(o=-2.1!,f=-3!) USER MOD Set 2.2: A 68 SER OG : rot -38:sc= 1.4 USER MOD Set 3.1: A 53 ASN : amide:sc= -0.0157 K(o=0.05,f=-0.82) USER MOD Set 3.2: A 54 THR OG1 : rot 180:sc= 0.0654 USER MOD Set 4.1: A 19 ASN : amide:sc= -2.43! X(o=-1.2!,f=-0.83) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.09) USER MOD Set 5.1: A 15 GLN : amide:sc= -0.0868 K(o=0.31,f=-2.6) USER MOD Set 5.2: A 36 LYS NZ :NH3+ -171:sc= 0.396 (180deg=0) USER MOD Set 6.1: A 1 ALA N :NH3+ 167:sc= 0.746 (180deg=-0.208) USER MOD Set 6.2: A 22 GLN : amide:sc= -2.82! C(o=-2.1!,f=-11!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0308 (180deg=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 173:sc= -3.67! USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 46 HIS : no HD1:sc= -1.01 K(o=-1,f=-4.9!) USER MOD Single : A 48 HIS : no HE2:sc= -0.887! C(o=0.14!,f=-7.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0.417 K(o=0.42,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 0.453 (180deg=-1.24!) USER MOD Single : A 71 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.4) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.119 (180deg=-0.62) USER MOD Single : A 80 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.04) USER MOD Single : A 86 ASN : amide:sc= 0.228 K(o=0.23,f=-5.5!) USER MOD Single : A 88 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 1:sc= 0.721 USER MOD Single : A 102 SER OG : rot 120:sc= 0.555 USER MOD Single : A 105 SER OG : rot -127:sc= 0.96 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 32:sc= -0.245 USER MOD Single : A 120 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-5.9!) USER MOD Single : A 122 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.13) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.299 K(o=0.3,f=-7.4!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 88:sc= 1.32 USER MOD Single : A 136 LYS NZ :NH3+ 160:sc= -0.0424 (180deg=-0.342) USER MOD Single : A 137 THR OG1 : rot 59:sc= 1.13 USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.518 -15.161 1.723 1.00 0.00 N ATOM 2 CA ALA A 1 7.898 -15.047 0.309 1.00 0.00 C ATOM 3 C ALA A 1 6.718 -15.320 -0.641 1.00 0.00 C ATOM 4 O ALA A 1 6.731 -14.884 -1.790 1.00 0.00 O ATOM 5 CB ALA A 1 9.046 -15.993 -0.016 1.00 0.00 C ATOM 0 H1 ALA A 1 8.375 -15.188 2.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.938 -14.341 1.994 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.972 -16.034 1.866 1.00 0.00 H new ATOM 0 HA ALA A 1 8.217 -14.016 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.313 -15.893 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.909 -15.744 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.740 -17.020 0.185 1.00 0.00 H new ATOM 13 N THR A 2 5.691 -16.005 -0.170 1.00 0.00 N ATOM 14 CA THR A 2 4.628 -16.453 -1.061 1.00 0.00 C ATOM 15 C THR A 2 3.252 -15.767 -0.817 1.00 0.00 C ATOM 16 O THR A 2 2.454 -15.609 -1.757 1.00 0.00 O ATOM 17 CB THR A 2 4.475 -17.985 -0.920 1.00 0.00 C ATOM 18 OG1 THR A 2 5.767 -18.599 -1.086 1.00 0.00 O ATOM 19 CG2 THR A 2 3.519 -18.550 -1.963 1.00 0.00 C ATOM 0 H THR A 2 5.568 -16.262 0.809 1.00 0.00 H new ATOM 0 HA THR A 2 4.926 -16.168 -2.070 1.00 0.00 H new ATOM 0 HB THR A 2 4.066 -18.200 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.681 -19.571 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.436 -19.629 -1.834 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.537 -18.093 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.899 -18.332 -2.961 1.00 0.00 H new ATOM 27 N LYS A 3 2.958 -15.404 0.392 1.00 0.00 N ATOM 28 CA LYS A 3 1.661 -14.873 0.671 1.00 0.00 C ATOM 29 C LYS A 3 1.729 -13.847 1.741 1.00 0.00 C ATOM 30 O LYS A 3 2.687 -13.826 2.542 1.00 0.00 O ATOM 31 CB LYS A 3 0.681 -15.984 1.065 1.00 0.00 C ATOM 32 CG LYS A 3 1.081 -16.795 2.282 1.00 0.00 C ATOM 33 CD LYS A 3 -0.011 -17.774 2.648 1.00 0.00 C ATOM 34 CE LYS A 3 0.367 -18.599 3.855 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.728 -19.491 4.270 1.00 0.00 N ATOM 0 H LYS A 3 3.588 -15.464 1.192 1.00 0.00 H new ATOM 0 HA LYS A 3 1.295 -14.401 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.295 -15.536 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.565 -16.661 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.007 -17.333 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.277 -16.129 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.934 -17.231 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.208 -18.433 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.253 -19.192 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.630 -17.937 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.431 -20.041 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.566 -18.924 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.962 -20.139 3.491 1.00 0.00 H new ATOM 49 N ALA A 4 0.734 -13.011 1.767 1.00 0.00 N ATOM 50 CA ALA A 4 0.648 -11.986 2.710 1.00 0.00 C ATOM 51 C ALA A 4 -0.785 -11.840 3.085 1.00 0.00 C ATOM 52 O ALA A 4 -1.659 -12.159 2.278 1.00 0.00 O ATOM 53 CB ALA A 4 1.183 -10.703 2.118 1.00 0.00 C ATOM 0 H ALA A 4 -0.046 -13.041 1.111 1.00 0.00 H new ATOM 0 HA ALA A 4 1.241 -12.217 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.114 -9.905 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.225 -10.842 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.596 -10.435 1.239 1.00 0.00 H new ATOM 59 N VAL A 5 -1.038 -11.421 4.283 1.00 0.00 N ATOM 60 CA VAL A 5 -2.379 -11.198 4.725 1.00 0.00 C ATOM 61 C VAL A 5 -2.462 -9.830 5.335 1.00 0.00 C ATOM 62 O VAL A 5 -1.529 -9.367 6.003 1.00 0.00 O ATOM 63 CB VAL A 5 -2.955 -12.301 5.686 1.00 0.00 C ATOM 64 CG1 VAL A 5 -3.102 -13.635 4.969 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.102 -12.476 6.923 1.00 0.00 C ATOM 0 H VAL A 5 -0.323 -11.224 4.983 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.020 -11.265 3.846 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.941 -11.957 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.502 -14.377 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.782 -13.521 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.127 -13.964 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.537 -13.247 7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.094 -12.772 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.060 -11.535 7.472 1.00 0.00 H new ATOM 75 N ALA A 6 -3.516 -9.175 5.037 1.00 0.00 N ATOM 76 CA ALA A 6 -3.739 -7.817 5.461 1.00 0.00 C ATOM 77 C ALA A 6 -4.940 -7.704 6.380 1.00 0.00 C ATOM 78 O ALA A 6 -5.979 -8.303 6.115 1.00 0.00 O ATOM 79 CB ALA A 6 -3.956 -6.959 4.241 1.00 0.00 C ATOM 0 H ALA A 6 -4.277 -9.562 4.479 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.864 -7.482 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.126 -5.927 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.075 -7.007 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.824 -7.322 3.691 1.00 0.00 H new ATOM 85 N VAL A 7 -4.790 -6.942 7.453 1.00 0.00 N ATOM 86 CA VAL A 7 -5.877 -6.665 8.384 1.00 0.00 C ATOM 87 C VAL A 7 -5.942 -5.170 8.707 1.00 0.00 C ATOM 88 O VAL A 7 -5.072 -4.626 9.398 1.00 0.00 O ATOM 89 CB VAL A 7 -5.802 -7.517 9.701 1.00 0.00 C ATOM 90 CG1 VAL A 7 -6.145 -8.972 9.414 1.00 0.00 C ATOM 91 CG2 VAL A 7 -4.411 -7.440 10.343 1.00 0.00 C ATOM 0 H VAL A 7 -3.908 -6.496 7.705 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.797 -6.964 7.881 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.529 -7.101 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.088 -9.548 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.155 -9.035 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.438 -9.377 8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.396 -8.041 11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.666 -7.820 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.181 -6.404 10.590 1.00 0.00 H new ATOM 101 N LEU A 8 -6.922 -4.504 8.142 1.00 0.00 N ATOM 102 CA LEU A 8 -7.109 -3.080 8.366 1.00 0.00 C ATOM 103 C LEU A 8 -8.404 -2.767 9.102 1.00 0.00 C ATOM 104 O LEU A 8 -9.375 -3.513 9.000 1.00 0.00 O ATOM 105 CB LEU A 8 -6.982 -2.272 7.035 1.00 0.00 C ATOM 106 CG LEU A 8 -7.563 -2.901 5.725 1.00 0.00 C ATOM 107 CD1 LEU A 8 -9.032 -3.251 5.837 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.359 -1.957 4.553 1.00 0.00 C ATOM 0 H LEU A 8 -7.610 -4.925 7.518 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.302 -2.757 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.468 -1.308 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.924 -2.073 6.867 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.018 -3.831 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.376 -3.683 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.174 -3.973 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.605 -2.350 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.768 -2.407 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.869 -1.014 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.294 -1.771 4.417 1.00 0.00 H new ATOM 120 N LYS A 9 -8.403 -1.685 9.843 1.00 0.00 N ATOM 121 CA LYS A 9 -9.561 -1.206 10.519 1.00 0.00 C ATOM 122 C LYS A 9 -9.335 0.259 10.764 1.00 0.00 C ATOM 123 O LYS A 9 -8.185 0.695 10.836 1.00 0.00 O ATOM 124 CB LYS A 9 -9.825 -1.923 11.856 1.00 0.00 C ATOM 125 CG LYS A 9 -11.166 -1.516 12.456 1.00 0.00 C ATOM 126 CD LYS A 9 -11.399 -2.062 13.839 1.00 0.00 C ATOM 127 CE LYS A 9 -12.762 -1.617 14.364 1.00 0.00 C ATOM 128 NZ LYS A 9 -12.899 -0.133 14.463 1.00 0.00 N ATOM 0 H LYS A 9 -7.574 -1.108 9.989 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.439 -1.398 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.808 -3.002 11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.025 -1.689 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.224 -0.428 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.967 -1.858 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.347 -3.151 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.613 -1.717 14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.541 -2.004 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.926 -2.057 15.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.744 0.101 15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.056 0.263 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.993 0.271 13.509 1.00 0.00 H new ATOM 142 N GLY A 10 -10.376 1.001 10.806 1.00 0.00 N ATOM 143 CA GLY A 10 -10.265 2.384 11.080 1.00 0.00 C ATOM 144 C GLY A 10 -11.526 2.894 11.678 1.00 0.00 C ATOM 145 O GLY A 10 -12.324 2.111 12.229 1.00 0.00 O ATOM 0 H GLY A 10 -11.328 0.669 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.433 2.561 11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.045 2.927 10.161 1.00 0.00 H new ATOM 149 N ASP A 11 -11.700 4.191 11.568 1.00 0.00 N ATOM 150 CA ASP A 11 -12.905 4.857 12.025 1.00 0.00 C ATOM 151 C ASP A 11 -14.077 4.473 11.130 1.00 0.00 C ATOM 152 O ASP A 11 -15.188 4.240 11.601 1.00 0.00 O ATOM 153 CB ASP A 11 -12.698 6.371 12.046 1.00 0.00 C ATOM 154 CG ASP A 11 -13.917 7.129 12.513 1.00 0.00 C ATOM 155 OD1 ASP A 11 -14.178 7.176 13.746 1.00 0.00 O ATOM 156 OD2 ASP A 11 -14.613 7.717 11.680 1.00 0.00 O ATOM 0 H ASP A 11 -11.009 4.819 11.158 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.131 4.537 13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.858 6.608 12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.429 6.709 11.045 1.00 0.00 H new ATOM 161 N GLY A 12 -13.813 4.378 9.849 1.00 0.00 N ATOM 162 CA GLY A 12 -14.814 3.907 8.927 1.00 0.00 C ATOM 163 C GLY A 12 -14.678 2.408 8.788 1.00 0.00 C ATOM 164 O GLY A 12 -13.639 1.852 9.208 1.00 0.00 O ATOM 0 H GLY A 12 -12.918 4.620 9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.810 4.164 9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.691 4.389 7.957 1.00 0.00 H new ATOM 168 N PRO A 13 -15.666 1.687 8.250 1.00 0.00 N ATOM 169 CA PRO A 13 -15.533 0.276 8.116 1.00 0.00 C ATOM 170 C PRO A 13 -14.763 -0.046 6.860 1.00 0.00 C ATOM 171 O PRO A 13 -15.154 0.328 5.751 1.00 0.00 O ATOM 172 CB PRO A 13 -16.991 -0.222 7.985 1.00 0.00 C ATOM 173 CG PRO A 13 -17.849 1.012 7.972 1.00 0.00 C ATOM 174 CD PRO A 13 -16.928 2.168 7.718 1.00 0.00 C ATOM 0 HA PRO A 13 -15.001 -0.185 8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -17.125 -0.801 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -17.257 -0.874 8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -18.612 0.946 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.370 1.132 8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.857 2.405 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -17.263 3.073 8.225 1.00 0.00 H new ATOM 182 N VAL A 14 -13.709 -0.757 7.043 1.00 0.00 N ATOM 183 CA VAL A 14 -12.873 -1.199 6.003 1.00 0.00 C ATOM 184 C VAL A 14 -12.619 -2.655 6.219 1.00 0.00 C ATOM 185 O VAL A 14 -12.204 -3.070 7.310 1.00 0.00 O ATOM 186 CB VAL A 14 -11.533 -0.383 5.887 1.00 0.00 C ATOM 187 CG1 VAL A 14 -11.797 1.011 5.344 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.824 -0.272 7.234 1.00 0.00 C ATOM 0 H VAL A 14 -13.398 -1.056 7.967 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.375 -1.033 5.050 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.887 -0.926 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.857 1.558 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.250 0.937 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.474 1.540 6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.903 0.298 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.474 0.235 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.588 -1.270 7.604 1.00 0.00 H new ATOM 198 N GLN A 15 -12.929 -3.431 5.257 1.00 0.00 N ATOM 199 CA GLN A 15 -12.725 -4.848 5.344 1.00 0.00 C ATOM 200 C GLN A 15 -12.008 -5.286 4.110 1.00 0.00 C ATOM 201 O GLN A 15 -12.503 -5.074 3.013 1.00 0.00 O ATOM 202 CB GLN A 15 -14.055 -5.603 5.462 1.00 0.00 C ATOM 203 CG GLN A 15 -14.855 -5.294 6.715 1.00 0.00 C ATOM 204 CD GLN A 15 -16.169 -6.044 6.759 1.00 0.00 C ATOM 205 OE1 GLN A 15 -16.771 -6.339 5.728 1.00 0.00 O ATOM 206 NE2 GLN A 15 -16.613 -6.372 7.939 1.00 0.00 N ATOM 0 H GLN A 15 -13.334 -3.115 4.376 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.142 -5.071 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.667 -5.370 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.853 -6.674 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.263 -5.551 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.049 -4.223 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.087 -6.110 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.487 -6.890 8.029 1.00 0.00 H new ATOM 215 N GLY A 16 -10.847 -5.843 4.256 1.00 0.00 N ATOM 216 CA GLY A 16 -10.140 -6.263 3.113 1.00 0.00 C ATOM 217 C GLY A 16 -9.003 -7.142 3.455 1.00 0.00 C ATOM 218 O GLY A 16 -8.613 -7.233 4.620 1.00 0.00 O ATOM 0 H GLY A 16 -10.383 -6.011 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.817 -6.792 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.773 -5.390 2.573 1.00 0.00 H new ATOM 222 N ILE A 17 -8.472 -7.783 2.462 1.00 0.00 N ATOM 223 CA ILE A 17 -7.362 -8.654 2.608 1.00 0.00 C ATOM 224 C ILE A 17 -6.620 -8.637 1.300 1.00 0.00 C ATOM 225 O ILE A 17 -7.229 -8.763 0.230 1.00 0.00 O ATOM 226 CB ILE A 17 -7.772 -10.111 3.029 1.00 0.00 C ATOM 227 CG1 ILE A 17 -6.525 -11.012 3.149 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.817 -10.715 2.078 1.00 0.00 C ATOM 229 CD1 ILE A 17 -6.815 -12.423 3.617 1.00 0.00 C ATOM 0 H ILE A 17 -8.812 -7.709 1.503 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.727 -8.305 3.422 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.244 -10.051 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.031 -11.059 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.823 -10.549 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.070 -11.722 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.714 -10.096 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.409 -10.756 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.884 -12.986 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.280 -12.391 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.491 -12.908 2.913 1.00 0.00 H new ATOM 241 N ILE A 18 -5.358 -8.357 1.375 1.00 0.00 N ATOM 242 CA ILE A 18 -4.529 -8.267 0.198 1.00 0.00 C ATOM 243 C ILE A 18 -3.367 -9.261 0.352 1.00 0.00 C ATOM 244 O ILE A 18 -2.797 -9.373 1.440 1.00 0.00 O ATOM 245 CB ILE A 18 -3.970 -6.803 -0.034 1.00 0.00 C ATOM 246 CG1 ILE A 18 -5.075 -5.703 -0.055 1.00 0.00 C ATOM 247 CG2 ILE A 18 -3.165 -6.733 -1.328 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.627 -5.302 1.305 1.00 0.00 C ATOM 0 H ILE A 18 -4.865 -8.183 2.251 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.135 -8.511 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.330 -6.596 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.669 -4.815 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.901 -6.054 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.790 -5.719 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.326 -7.426 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.804 -7.004 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.388 -4.532 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.070 -6.172 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.819 -4.914 1.925 1.00 0.00 H new ATOM 260 N ASN A 19 -3.050 -9.988 -0.708 1.00 0.00 N ATOM 261 CA ASN A 19 -2.025 -11.007 -0.693 1.00 0.00 C ATOM 262 C ASN A 19 -0.846 -10.547 -1.526 1.00 0.00 C ATOM 263 O ASN A 19 -1.026 -10.089 -2.652 1.00 0.00 O ATOM 264 CB ASN A 19 -2.615 -12.292 -1.286 1.00 0.00 C ATOM 265 CG ASN A 19 -1.694 -13.500 -1.234 1.00 0.00 C ATOM 266 OD1 ASN A 19 -0.899 -13.745 -2.137 1.00 0.00 O ATOM 267 ND2 ASN A 19 -1.813 -14.279 -0.194 1.00 0.00 N ATOM 0 H ASN A 19 -3.507 -9.881 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.685 -11.191 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.536 -12.532 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.887 -12.105 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.237 -15.117 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.482 -14.050 0.541 1.00 0.00 H new ATOM 274 N PHE A 20 0.338 -10.643 -0.960 1.00 0.00 N ATOM 275 CA PHE A 20 1.574 -10.277 -1.647 1.00 0.00 C ATOM 276 C PHE A 20 2.593 -11.369 -1.528 1.00 0.00 C ATOM 277 O PHE A 20 2.816 -11.903 -0.445 1.00 0.00 O ATOM 278 CB PHE A 20 2.230 -9.014 -1.067 1.00 0.00 C ATOM 279 CG PHE A 20 1.526 -7.730 -1.313 1.00 0.00 C ATOM 280 CD1 PHE A 20 1.515 -7.174 -2.572 1.00 0.00 C ATOM 281 CD2 PHE A 20 0.908 -7.059 -0.283 1.00 0.00 C ATOM 282 CE1 PHE A 20 0.899 -5.973 -2.806 1.00 0.00 C ATOM 283 CE2 PHE A 20 0.290 -5.860 -0.512 1.00 0.00 C ATOM 284 CZ PHE A 20 0.283 -5.317 -1.773 1.00 0.00 C ATOM 0 H PHE A 20 0.479 -10.978 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 20 1.283 -10.101 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.332 -9.146 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.238 -8.935 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.999 -7.692 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.911 -7.481 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.899 -5.546 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.194 -5.339 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.209 -4.372 -1.951 1.00 0.00 H new ATOM 294 N GLU A 21 3.208 -11.699 -2.609 1.00 0.00 N ATOM 295 CA GLU A 21 4.310 -12.594 -2.569 1.00 0.00 C ATOM 296 C GLU A 21 5.584 -11.783 -2.788 1.00 0.00 C ATOM 297 O GLU A 21 5.882 -11.340 -3.898 1.00 0.00 O ATOM 298 CB GLU A 21 4.151 -13.736 -3.566 1.00 0.00 C ATOM 299 CG GLU A 21 3.987 -13.342 -5.016 1.00 0.00 C ATOM 300 CD GLU A 21 4.030 -14.535 -5.919 1.00 0.00 C ATOM 301 OE1 GLU A 21 4.519 -15.610 -5.495 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.631 -14.421 -7.077 1.00 0.00 O ATOM 0 H GLU A 21 2.964 -11.359 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 21 4.364 -13.080 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.023 -14.385 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.284 -14.328 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.039 -12.820 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.777 -12.644 -5.296 1.00 0.00 H new ATOM 309 N GLN A 22 6.303 -11.540 -1.725 1.00 0.00 N ATOM 310 CA GLN A 22 7.375 -10.687 -1.770 1.00 0.00 C ATOM 311 C GLN A 22 8.621 -11.374 -2.204 1.00 0.00 C ATOM 312 O GLN A 22 9.371 -11.939 -1.421 1.00 0.00 O ATOM 313 CB GLN A 22 7.497 -9.890 -0.453 1.00 0.00 C ATOM 314 CG GLN A 22 6.725 -10.477 0.751 1.00 0.00 C ATOM 315 CD GLN A 22 7.328 -11.729 1.342 1.00 0.00 C ATOM 316 OE1 GLN A 22 6.615 -12.592 1.844 1.00 0.00 O ATOM 317 NE2 GLN A 22 8.617 -11.840 1.302 1.00 0.00 N ATOM 0 H GLN A 22 6.128 -11.953 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 22 7.199 -9.944 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.552 -9.819 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.144 -8.874 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.664 -9.717 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.704 -10.695 0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.179 -11.103 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.070 -12.665 1.696 1.00 0.00 H new ATOM 326 N LYS A 23 8.765 -11.373 -3.491 1.00 0.00 N ATOM 327 CA LYS A 23 9.923 -11.822 -4.156 1.00 0.00 C ATOM 328 C LYS A 23 10.920 -10.719 -3.967 1.00 0.00 C ATOM 329 O LYS A 23 10.771 -9.625 -4.520 1.00 0.00 O ATOM 330 CB LYS A 23 9.582 -12.098 -5.625 1.00 0.00 C ATOM 331 CG LYS A 23 8.538 -13.210 -5.772 1.00 0.00 C ATOM 332 CD LYS A 23 8.039 -13.381 -7.198 1.00 0.00 C ATOM 333 CE LYS A 23 7.064 -14.550 -7.282 1.00 0.00 C ATOM 334 NZ LYS A 23 6.451 -14.703 -8.620 1.00 0.00 N ATOM 0 H LYS A 23 8.039 -11.042 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 23 10.329 -12.758 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.207 -11.185 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.489 -12.378 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.969 -14.151 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.691 -12.992 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.549 -12.466 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.882 -13.553 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.587 -15.470 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.276 -14.411 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.668 -15.386 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.087 -13.784 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.166 -15.047 -9.292 1.00 0.00 H new ATOM 348 N GLU A 24 11.866 -11.006 -3.107 1.00 0.00 N ATOM 349 CA GLU A 24 12.799 -10.054 -2.540 1.00 0.00 C ATOM 350 C GLU A 24 13.465 -9.149 -3.576 1.00 0.00 C ATOM 351 O GLU A 24 13.640 -7.953 -3.336 1.00 0.00 O ATOM 352 CB GLU A 24 13.808 -10.808 -1.682 1.00 0.00 C ATOM 353 CG GLU A 24 14.655 -9.942 -0.786 1.00 0.00 C ATOM 354 CD GLU A 24 15.440 -10.764 0.187 1.00 0.00 C ATOM 355 OE1 GLU A 24 14.894 -11.142 1.245 1.00 0.00 O ATOM 356 OE2 GLU A 24 16.609 -11.076 -0.093 1.00 0.00 O ATOM 0 H GLU A 24 12.016 -11.955 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 24 12.237 -9.361 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.271 -11.528 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.466 -11.379 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.336 -9.345 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.017 -9.244 -0.243 1.00 0.00 H new ATOM 363 N SER A 25 13.808 -9.690 -4.697 1.00 0.00 N ATOM 364 CA SER A 25 14.386 -8.911 -5.747 1.00 0.00 C ATOM 365 C SER A 25 13.291 -8.369 -6.679 1.00 0.00 C ATOM 366 O SER A 25 13.076 -7.143 -6.766 1.00 0.00 O ATOM 367 CB SER A 25 15.421 -9.741 -6.495 1.00 0.00 C ATOM 368 OG SER A 25 16.410 -10.231 -5.581 1.00 0.00 O ATOM 0 H SER A 25 13.697 -10.681 -4.913 1.00 0.00 H new ATOM 0 HA SER A 25 14.898 -8.048 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.934 -10.576 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.896 -9.136 -7.267 1.00 0.00 H new ATOM 0 HG SER A 25 17.071 -10.765 -6.069 1.00 0.00 H new ATOM 374 N ASN A 26 12.563 -9.271 -7.318 1.00 0.00 N ATOM 375 CA ASN A 26 11.519 -8.910 -8.268 1.00 0.00 C ATOM 376 C ASN A 26 10.791 -10.162 -8.684 1.00 0.00 C ATOM 377 O ASN A 26 11.223 -11.269 -8.341 1.00 0.00 O ATOM 378 CB ASN A 26 12.115 -8.231 -9.531 1.00 0.00 C ATOM 379 CG ASN A 26 12.968 -9.171 -10.378 1.00 0.00 C ATOM 380 OD1 ASN A 26 14.177 -9.313 -10.147 1.00 0.00 O ATOM 381 ND2 ASN A 26 12.373 -9.773 -11.388 1.00 0.00 N ATOM 0 H ASN A 26 12.679 -10.277 -7.193 1.00 0.00 H new ATOM 0 HA ASN A 26 10.841 -8.205 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.302 -7.840 -10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.721 -7.379 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.910 -10.378 -12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.375 -9.634 -11.549 1.00 0.00 H new ATOM 388 N GLY A 27 9.707 -10.004 -9.405 1.00 0.00 N ATOM 389 CA GLY A 27 8.990 -11.144 -9.926 1.00 0.00 C ATOM 390 C GLY A 27 7.599 -10.794 -10.343 1.00 0.00 C ATOM 391 O GLY A 27 7.110 -9.716 -9.990 1.00 0.00 O ATOM 0 H GLY A 27 9.302 -9.099 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.531 -11.552 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.954 -11.926 -9.168 1.00 0.00 H new ATOM 395 N PRO A 28 6.942 -11.650 -11.155 1.00 0.00 N ATOM 396 CA PRO A 28 5.535 -11.487 -11.481 1.00 0.00 C ATOM 397 C PRO A 28 4.756 -11.593 -10.193 1.00 0.00 C ATOM 398 O PRO A 28 4.925 -12.566 -9.443 1.00 0.00 O ATOM 399 CB PRO A 28 5.231 -12.690 -12.388 1.00 0.00 C ATOM 400 CG PRO A 28 6.549 -13.086 -12.935 1.00 0.00 C ATOM 401 CD PRO A 28 7.523 -12.822 -11.832 1.00 0.00 C ATOM 0 HA PRO A 28 5.286 -10.540 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.774 -13.505 -11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.536 -12.421 -13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.556 -14.137 -13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.796 -12.508 -13.826 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.612 -13.675 -11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.522 -12.613 -12.216 1.00 0.00 H new ATOM 409 N VAL A 29 3.975 -10.608 -9.892 1.00 0.00 N ATOM 410 CA VAL A 29 3.317 -10.598 -8.633 1.00 0.00 C ATOM 411 C VAL A 29 1.916 -11.147 -8.664 1.00 0.00 C ATOM 412 O VAL A 29 1.025 -10.646 -9.370 1.00 0.00 O ATOM 413 CB VAL A 29 3.362 -9.220 -7.938 1.00 0.00 C ATOM 414 CG1 VAL A 29 4.786 -8.837 -7.663 1.00 0.00 C ATOM 415 CG2 VAL A 29 2.680 -8.143 -8.761 1.00 0.00 C ATOM 0 H VAL A 29 3.780 -9.809 -10.495 1.00 0.00 H new ATOM 0 HA VAL A 29 3.900 -11.290 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 29 2.816 -9.304 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.813 -7.864 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.245 -9.583 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.337 -8.785 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.736 -7.191 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.178 -8.052 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.635 -8.411 -8.916 1.00 0.00 H new ATOM 425 N LYS A 30 1.743 -12.202 -7.945 1.00 0.00 N ATOM 426 CA LYS A 30 0.460 -12.734 -7.684 1.00 0.00 C ATOM 427 C LYS A 30 -0.104 -11.931 -6.519 1.00 0.00 C ATOM 428 O LYS A 30 0.317 -12.113 -5.370 1.00 0.00 O ATOM 429 CB LYS A 30 0.587 -14.182 -7.266 1.00 0.00 C ATOM 430 CG LYS A 30 -0.712 -14.810 -6.780 1.00 0.00 C ATOM 431 CD LYS A 30 -0.456 -15.944 -5.782 1.00 0.00 C ATOM 432 CE LYS A 30 0.327 -15.438 -4.555 1.00 0.00 C ATOM 433 NZ LYS A 30 0.403 -16.432 -3.473 1.00 0.00 N ATOM 0 H LYS A 30 2.506 -12.725 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.179 -12.679 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.963 -14.760 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.331 -14.255 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.332 -14.046 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.271 -15.195 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.406 -16.371 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.103 -16.742 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.337 -15.165 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.147 -14.532 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.242 -16.245 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.451 -16.369 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.471 -17.386 -3.882 1.00 0.00 H new ATOM 447 N VAL A 31 -0.979 -11.009 -6.808 1.00 0.00 N ATOM 448 CA VAL A 31 -1.530 -10.149 -5.792 1.00 0.00 C ATOM 449 C VAL A 31 -3.007 -9.999 -6.009 1.00 0.00 C ATOM 450 O VAL A 31 -3.471 -9.896 -7.155 1.00 0.00 O ATOM 451 CB VAL A 31 -0.856 -8.726 -5.757 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.614 -8.826 -5.427 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.041 -7.975 -7.069 1.00 0.00 C ATOM 0 H VAL A 31 -1.331 -10.831 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.328 -10.621 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.358 -8.162 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.052 -7.828 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.737 -9.293 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.116 -9.430 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.561 -6.999 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.590 -8.545 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.105 -7.843 -7.266 1.00 0.00 H new ATOM 463 N TRP A 32 -3.730 -10.049 -4.967 1.00 0.00 N ATOM 464 CA TRP A 32 -5.134 -9.849 -5.023 1.00 0.00 C ATOM 465 C TRP A 32 -5.544 -9.217 -3.744 1.00 0.00 C ATOM 466 O TRP A 32 -5.008 -9.561 -2.687 1.00 0.00 O ATOM 467 CB TRP A 32 -5.920 -11.166 -5.288 1.00 0.00 C ATOM 468 CG TRP A 32 -5.764 -12.240 -4.240 1.00 0.00 C ATOM 469 CD1 TRP A 32 -4.802 -13.205 -4.192 1.00 0.00 C ATOM 470 CD2 TRP A 32 -6.612 -12.463 -3.101 1.00 0.00 C ATOM 471 NE1 TRP A 32 -4.994 -14.001 -3.093 1.00 0.00 N ATOM 472 CE2 TRP A 32 -6.094 -13.569 -2.409 1.00 0.00 C ATOM 473 CE3 TRP A 32 -7.755 -11.828 -2.600 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -6.675 -14.059 -1.241 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -8.331 -12.314 -1.444 1.00 0.00 C ATOM 476 CH2 TRP A 32 -7.790 -13.421 -0.775 1.00 0.00 C ATOM 0 H TRP A 32 -3.368 -10.232 -4.031 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.374 -9.201 -5.866 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.979 -10.924 -5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.601 -11.571 -6.248 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.007 -13.324 -4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.407 -14.792 -2.828 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.178 -10.974 -3.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.260 -14.911 -0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.213 -11.834 -1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.264 -13.777 0.128 1.00 0.00 H new ATOM 487 N GLY A 33 -6.392 -8.256 -3.826 1.00 0.00 N ATOM 488 CA GLY A 33 -6.876 -7.654 -2.658 1.00 0.00 C ATOM 489 C GLY A 33 -8.228 -7.072 -2.877 1.00 0.00 C ATOM 490 O GLY A 33 -8.517 -6.544 -3.958 1.00 0.00 O ATOM 0 H GLY A 33 -6.760 -7.875 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.919 -8.391 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.188 -6.872 -2.336 1.00 0.00 H new ATOM 494 N SER A 34 -9.068 -7.223 -1.901 1.00 0.00 N ATOM 495 CA SER A 34 -10.385 -6.695 -1.914 1.00 0.00 C ATOM 496 C SER A 34 -10.491 -5.652 -0.811 1.00 0.00 C ATOM 497 O SER A 34 -9.878 -5.831 0.239 1.00 0.00 O ATOM 498 CB SER A 34 -11.348 -7.841 -1.694 1.00 0.00 C ATOM 499 OG SER A 34 -11.111 -8.875 -2.643 1.00 0.00 O ATOM 0 H SER A 34 -8.843 -7.735 -1.048 1.00 0.00 H new ATOM 0 HA SER A 34 -10.625 -6.216 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.233 -8.233 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.374 -7.485 -1.783 1.00 0.00 H new ATOM 0 HG SER A 34 -11.739 -9.611 -2.489 1.00 0.00 H new ATOM 505 N ILE A 35 -11.193 -4.575 -1.052 1.00 0.00 N ATOM 506 CA ILE A 35 -11.418 -3.552 -0.040 1.00 0.00 C ATOM 507 C ILE A 35 -12.899 -3.222 -0.013 1.00 0.00 C ATOM 508 O ILE A 35 -13.484 -2.949 -1.049 1.00 0.00 O ATOM 509 CB ILE A 35 -10.647 -2.214 -0.342 1.00 0.00 C ATOM 510 CG1 ILE A 35 -9.127 -2.421 -0.481 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.941 -1.144 0.722 1.00 0.00 C ATOM 512 CD1 ILE A 35 -8.434 -2.880 0.787 1.00 0.00 C ATOM 0 H ILE A 35 -11.629 -4.374 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.056 -3.951 0.908 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.018 -1.864 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.944 -3.155 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.674 -1.485 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.393 -0.233 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.010 -0.931 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.629 -1.509 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.368 -3.000 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.581 -2.137 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.854 -3.833 1.107 1.00 0.00 H new ATOM 524 N LYS A 36 -13.481 -3.295 1.135 1.00 0.00 N ATOM 525 CA LYS A 36 -14.813 -2.866 1.372 1.00 0.00 C ATOM 526 C LYS A 36 -14.650 -1.627 2.198 1.00 0.00 C ATOM 527 O LYS A 36 -13.887 -1.645 3.166 1.00 0.00 O ATOM 528 CB LYS A 36 -15.601 -3.916 2.137 1.00 0.00 C ATOM 529 CG LYS A 36 -17.040 -3.518 2.372 1.00 0.00 C ATOM 530 CD LYS A 36 -17.790 -4.527 3.220 1.00 0.00 C ATOM 531 CE LYS A 36 -17.939 -5.870 2.527 1.00 0.00 C ATOM 532 NZ LYS A 36 -18.634 -6.840 3.390 1.00 0.00 N ATOM 0 H LYS A 36 -13.022 -3.670 1.965 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.364 -2.693 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.575 -4.856 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.118 -4.097 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.069 -2.544 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.545 -3.408 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.264 -4.665 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.778 -4.133 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.494 -5.743 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.955 -6.256 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.588 -7.785 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.177 -6.864 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.629 -6.557 3.499 1.00 0.00 H new ATOM 546 N GLY A 37 -15.311 -0.603 1.832 1.00 0.00 N ATOM 547 CA GLY A 37 -15.030 0.675 2.377 1.00 0.00 C ATOM 548 C GLY A 37 -16.152 1.604 2.129 1.00 0.00 C ATOM 549 O GLY A 37 -17.144 1.222 1.486 1.00 0.00 O ATOM 0 H GLY A 37 -16.065 -0.619 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.853 0.588 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.117 1.073 1.934 1.00 0.00 H new ATOM 553 N LEU A 38 -16.042 2.775 2.663 1.00 0.00 N ATOM 554 CA LEU A 38 -17.013 3.808 2.503 1.00 0.00 C ATOM 555 C LEU A 38 -16.971 4.224 1.022 1.00 0.00 C ATOM 556 O LEU A 38 -15.914 4.195 0.397 1.00 0.00 O ATOM 557 CB LEU A 38 -16.638 4.962 3.478 1.00 0.00 C ATOM 558 CG LEU A 38 -17.522 6.221 3.531 1.00 0.00 C ATOM 559 CD1 LEU A 38 -17.272 6.952 4.836 1.00 0.00 C ATOM 560 CD2 LEU A 38 -17.189 7.162 2.388 1.00 0.00 C ATOM 0 H LEU A 38 -15.248 3.049 3.242 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.030 3.500 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.604 4.543 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.626 5.283 3.232 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.564 5.912 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.896 7.845 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.518 6.298 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.222 7.240 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.826 8.045 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.144 7.464 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.357 6.655 1.438 1.00 0.00 H new ATOM 572 N THR A 39 -18.116 4.531 0.444 1.00 0.00 N ATOM 573 CA THR A 39 -18.156 4.774 -0.970 1.00 0.00 C ATOM 574 C THR A 39 -17.449 6.074 -1.397 1.00 0.00 C ATOM 575 O THR A 39 -17.990 7.168 -1.269 1.00 0.00 O ATOM 576 CB THR A 39 -19.641 4.756 -1.481 1.00 0.00 C ATOM 577 OG1 THR A 39 -19.817 5.685 -2.542 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.651 5.059 -0.383 1.00 0.00 C ATOM 0 H THR A 39 -19.010 4.615 0.927 1.00 0.00 H new ATOM 0 HA THR A 39 -17.596 3.964 -1.437 1.00 0.00 H new ATOM 0 HB THR A 39 -19.827 3.741 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.714 5.581 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.659 5.032 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.564 4.313 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.455 6.049 0.029 1.00 0.00 H new ATOM 586 N GLU A 40 -16.303 5.873 -1.976 1.00 0.00 N ATOM 587 CA GLU A 40 -15.405 6.829 -2.600 1.00 0.00 C ATOM 588 C GLU A 40 -14.331 5.991 -3.174 1.00 0.00 C ATOM 589 O GLU A 40 -13.868 5.081 -2.498 1.00 0.00 O ATOM 590 CB GLU A 40 -14.777 7.876 -1.653 1.00 0.00 C ATOM 591 CG GLU A 40 -15.650 9.075 -1.337 1.00 0.00 C ATOM 592 CD GLU A 40 -14.910 10.138 -0.581 1.00 0.00 C ATOM 593 OE1 GLU A 40 -14.249 10.997 -1.217 1.00 0.00 O ATOM 594 OE2 GLU A 40 -14.976 10.159 0.651 1.00 0.00 O ATOM 0 H GLU A 40 -15.921 4.929 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.968 7.428 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.514 7.383 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.848 8.232 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.035 9.495 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.511 8.750 -0.753 1.00 0.00 H new ATOM 601 N GLY A 41 -13.910 6.223 -4.344 1.00 0.00 N ATOM 602 CA GLY A 41 -12.887 5.356 -4.847 1.00 0.00 C ATOM 603 C GLY A 41 -12.194 5.895 -6.015 1.00 0.00 C ATOM 604 O GLY A 41 -12.701 5.777 -7.127 1.00 0.00 O ATOM 0 H GLY A 41 -14.227 6.967 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.160 5.167 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.331 4.395 -5.108 1.00 0.00 H new ATOM 608 N LEU A 42 -11.013 6.458 -5.781 1.00 0.00 N ATOM 609 CA LEU A 42 -10.220 7.033 -6.845 1.00 0.00 C ATOM 610 C LEU A 42 -9.059 6.103 -7.238 1.00 0.00 C ATOM 611 O LEU A 42 -9.230 5.280 -8.134 1.00 0.00 O ATOM 612 CB LEU A 42 -9.700 8.456 -6.495 1.00 0.00 C ATOM 613 CG LEU A 42 -10.748 9.586 -6.316 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.601 9.405 -5.067 1.00 0.00 C ATOM 615 CD2 LEU A 42 -10.067 10.932 -6.286 1.00 0.00 C ATOM 0 H LEU A 42 -10.588 6.525 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.880 7.139 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.124 8.384 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.008 8.762 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.419 9.533 -7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.316 10.224 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.138 8.459 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.960 9.403 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.815 11.715 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.363 10.965 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.531 11.089 -7.222 1.00 0.00 H new ATOM 627 N HIS A 43 -7.905 6.199 -6.536 1.00 0.00 N ATOM 628 CA HIS A 43 -6.730 5.357 -6.794 1.00 0.00 C ATOM 629 C HIS A 43 -5.616 5.814 -5.878 1.00 0.00 C ATOM 630 O HIS A 43 -5.482 7.008 -5.636 1.00 0.00 O ATOM 631 CB HIS A 43 -6.254 5.397 -8.288 1.00 0.00 C ATOM 632 CG HIS A 43 -5.725 6.723 -8.793 1.00 0.00 C ATOM 633 ND1 HIS A 43 -4.407 6.929 -9.109 1.00 0.00 N ATOM 634 CD2 HIS A 43 -6.352 7.891 -9.060 1.00 0.00 C ATOM 635 CE1 HIS A 43 -4.241 8.151 -9.539 1.00 0.00 C ATOM 636 NE2 HIS A 43 -5.406 8.761 -9.524 1.00 0.00 N ATOM 0 H HIS A 43 -7.770 6.866 -5.776 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.006 4.321 -6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.474 4.647 -8.418 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.090 5.100 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.404 8.098 -8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.305 8.587 -9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.575 9.725 -9.811 1.00 0.00 H new ATOM 645 N GLY A 44 -4.851 4.903 -5.354 1.00 0.00 N ATOM 646 CA GLY A 44 -3.791 5.288 -4.492 1.00 0.00 C ATOM 647 C GLY A 44 -2.953 4.133 -4.042 1.00 0.00 C ATOM 648 O GLY A 44 -3.438 3.268 -3.354 1.00 0.00 O ATOM 0 H GLY A 44 -4.945 3.899 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.157 6.011 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.205 5.791 -3.618 1.00 0.00 H new ATOM 652 N PHE A 45 -1.698 4.139 -4.429 1.00 0.00 N ATOM 653 CA PHE A 45 -0.765 3.104 -4.049 1.00 0.00 C ATOM 654 C PHE A 45 0.470 3.652 -3.321 1.00 0.00 C ATOM 655 O PHE A 45 1.297 4.357 -3.888 1.00 0.00 O ATOM 656 CB PHE A 45 -0.385 2.161 -5.225 1.00 0.00 C ATOM 657 CG PHE A 45 -0.042 2.804 -6.569 1.00 0.00 C ATOM 658 CD1 PHE A 45 1.032 3.670 -6.718 1.00 0.00 C ATOM 659 CD2 PHE A 45 -0.786 2.489 -7.694 1.00 0.00 C ATOM 660 CE1 PHE A 45 1.342 4.211 -7.949 1.00 0.00 C ATOM 661 CE2 PHE A 45 -0.482 3.030 -8.927 1.00 0.00 C ATOM 662 CZ PHE A 45 0.586 3.891 -9.055 1.00 0.00 C ATOM 0 H PHE A 45 -1.294 4.866 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.299 2.486 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.470 1.562 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.215 1.473 -5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.634 3.924 -5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.619 1.808 -7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.179 4.887 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.080 2.779 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.829 4.313 -10.019 1.00 0.00 H new ATOM 672 N HIS A 46 0.515 3.394 -2.040 1.00 0.00 N ATOM 673 CA HIS A 46 1.661 3.689 -1.181 1.00 0.00 C ATOM 674 C HIS A 46 1.422 3.062 0.142 1.00 0.00 C ATOM 675 O HIS A 46 0.757 3.663 1.016 1.00 0.00 O ATOM 676 CB HIS A 46 2.061 5.200 -1.042 1.00 0.00 C ATOM 677 CG HIS A 46 3.298 5.429 -0.157 1.00 0.00 C ATOM 678 ND1 HIS A 46 4.590 5.469 -0.635 1.00 0.00 N ATOM 679 CD2 HIS A 46 3.406 5.590 1.189 1.00 0.00 C ATOM 680 CE1 HIS A 46 5.420 5.634 0.381 1.00 0.00 C ATOM 681 NE2 HIS A 46 4.720 5.708 1.487 1.00 0.00 N ATOM 0 H HIS A 46 -0.261 2.960 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 46 2.532 3.262 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.253 5.609 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.219 5.754 -0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.588 5.619 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.496 5.697 0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.105 5.834 2.423 1.00 0.00 H new ATOM 690 N VAL A 47 1.869 1.859 0.218 1.00 0.00 N ATOM 691 CA VAL A 47 1.794 0.972 1.362 1.00 0.00 C ATOM 692 C VAL A 47 3.189 0.331 1.607 1.00 0.00 C ATOM 693 O VAL A 47 3.490 -0.721 1.080 1.00 0.00 O ATOM 694 CB VAL A 47 0.778 -0.165 1.007 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.785 -1.315 1.985 1.00 0.00 C ATOM 696 CG2 VAL A 47 -0.629 0.386 0.817 1.00 0.00 C ATOM 0 H VAL A 47 2.337 1.419 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 47 1.483 1.518 2.252 1.00 0.00 H new ATOM 0 HB VAL A 47 1.120 -0.578 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.056 -2.063 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.778 -1.765 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.527 -0.949 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.309 -0.430 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.958 0.868 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.628 1.114 0.006 1.00 0.00 H new ATOM 706 N HIS A 48 4.031 0.972 2.362 1.00 0.00 N ATOM 707 CA HIS A 48 5.397 0.413 2.626 1.00 0.00 C ATOM 708 C HIS A 48 6.118 1.236 3.641 1.00 0.00 C ATOM 709 O HIS A 48 6.942 2.091 3.313 1.00 0.00 O ATOM 710 CB HIS A 48 6.286 0.263 1.376 1.00 0.00 C ATOM 711 CG HIS A 48 7.408 -0.739 1.560 1.00 0.00 C ATOM 712 ND1 HIS A 48 8.271 -1.101 0.554 1.00 0.00 N ATOM 713 CD2 HIS A 48 7.754 -1.500 2.631 1.00 0.00 C ATOM 714 CE1 HIS A 48 9.085 -2.041 0.988 1.00 0.00 C ATOM 715 NE2 HIS A 48 8.795 -2.298 2.250 1.00 0.00 N ATOM 0 H HIS A 48 3.837 1.866 2.814 1.00 0.00 H new ATOM 0 HA HIS A 48 5.216 -0.595 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.668 -0.044 0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.712 1.234 1.122 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.280 -0.703 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.290 -1.478 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.860 -2.521 0.409 1.00 0.00 H new ATOM 724 N GLU A 49 5.892 0.893 4.811 1.00 0.00 N ATOM 725 CA GLU A 49 6.305 1.623 5.961 1.00 0.00 C ATOM 726 C GLU A 49 6.869 0.637 7.010 1.00 0.00 C ATOM 727 O GLU A 49 6.900 -0.566 6.780 1.00 0.00 O ATOM 728 CB GLU A 49 5.072 2.383 6.543 1.00 0.00 C ATOM 729 CG GLU A 49 4.601 3.719 5.843 1.00 0.00 C ATOM 730 CD GLU A 49 4.331 3.674 4.332 1.00 0.00 C ATOM 731 OE1 GLU A 49 3.313 3.076 3.875 1.00 0.00 O ATOM 732 OE2 GLU A 49 5.138 4.263 3.568 1.00 0.00 O ATOM 0 H GLU A 49 5.381 0.041 5.042 1.00 0.00 H new ATOM 0 HA GLU A 49 7.080 2.342 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.228 1.693 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.290 2.616 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.689 4.054 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.360 4.480 6.026 1.00 0.00 H new ATOM 739 N PHE A 50 7.425 1.159 8.043 1.00 0.00 N ATOM 740 CA PHE A 50 7.786 0.355 9.200 1.00 0.00 C ATOM 741 C PHE A 50 6.532 -0.129 9.956 1.00 0.00 C ATOM 742 O PHE A 50 5.396 0.274 9.642 1.00 0.00 O ATOM 743 CB PHE A 50 8.725 1.122 10.153 1.00 0.00 C ATOM 744 CG PHE A 50 8.226 2.474 10.610 1.00 0.00 C ATOM 745 CD1 PHE A 50 7.283 2.585 11.616 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.720 3.630 10.039 1.00 0.00 C ATOM 747 CE1 PHE A 50 6.845 3.816 12.036 1.00 0.00 C ATOM 748 CE2 PHE A 50 8.283 4.868 10.458 1.00 0.00 C ATOM 749 CZ PHE A 50 7.344 4.961 11.456 1.00 0.00 C ATOM 0 H PHE A 50 7.650 2.150 8.130 1.00 0.00 H new ATOM 0 HA PHE A 50 8.323 -0.518 8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.905 0.504 11.033 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.686 1.258 9.657 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.887 1.692 12.076 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.458 3.563 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.108 3.887 12.822 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.678 5.764 10.002 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.998 5.930 11.785 1.00 0.00 H new ATOM 759 N GLY A 51 6.758 -1.005 10.906 1.00 0.00 N ATOM 760 CA GLY A 51 5.719 -1.529 11.755 1.00 0.00 C ATOM 761 C GLY A 51 4.993 -0.487 12.558 1.00 0.00 C ATOM 762 O GLY A 51 5.612 0.244 13.359 1.00 0.00 O ATOM 0 H GLY A 51 7.684 -1.379 11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.997 -2.064 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.157 -2.257 12.438 1.00 0.00 H new ATOM 766 N ASP A 52 3.693 -0.391 12.369 1.00 0.00 N ATOM 767 CA ASP A 52 2.924 0.530 13.167 1.00 0.00 C ATOM 768 C ASP A 52 1.749 -0.258 13.722 1.00 0.00 C ATOM 769 O ASP A 52 1.746 -1.502 13.640 1.00 0.00 O ATOM 770 CB ASP A 52 2.453 1.720 12.310 1.00 0.00 C ATOM 771 CG ASP A 52 2.162 2.993 13.100 1.00 0.00 C ATOM 772 OD1 ASP A 52 1.370 2.982 14.063 1.00 0.00 O ATOM 773 OD2 ASP A 52 2.716 4.045 12.765 1.00 0.00 O ATOM 0 H ASP A 52 3.160 -0.928 11.685 1.00 0.00 H new ATOM 0 HA ASP A 52 3.518 0.950 13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.216 1.938 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.552 1.429 11.770 1.00 0.00 H new ATOM 778 N ASN A 53 0.781 0.406 14.263 1.00 0.00 N ATOM 779 CA ASN A 53 -0.373 -0.256 14.825 1.00 0.00 C ATOM 780 C ASN A 53 -1.227 -0.881 13.716 1.00 0.00 C ATOM 781 O ASN A 53 -1.528 -0.244 12.698 1.00 0.00 O ATOM 782 CB ASN A 53 -1.198 0.717 15.697 1.00 0.00 C ATOM 783 CG ASN A 53 -2.491 0.123 16.240 1.00 0.00 C ATOM 784 OD1 ASN A 53 -2.591 -1.071 16.491 1.00 0.00 O ATOM 785 ND2 ASN A 53 -3.496 0.947 16.406 1.00 0.00 N ATOM 0 H ASN A 53 0.758 1.423 14.333 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.028 -1.061 15.474 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.583 1.048 16.534 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.437 1.602 15.108 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.390 0.598 16.752 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.385 1.937 16.189 1.00 0.00 H new ATOM 792 N THR A 54 -1.616 -2.116 13.952 1.00 0.00 N ATOM 793 CA THR A 54 -2.406 -2.973 13.081 1.00 0.00 C ATOM 794 C THR A 54 -3.692 -2.339 12.572 1.00 0.00 C ATOM 795 O THR A 54 -4.226 -2.760 11.561 1.00 0.00 O ATOM 796 CB THR A 54 -2.747 -4.246 13.864 1.00 0.00 C ATOM 797 OG1 THR A 54 -2.964 -3.892 15.246 1.00 0.00 O ATOM 798 CG2 THR A 54 -1.630 -5.248 13.786 1.00 0.00 C ATOM 0 H THR A 54 -1.372 -2.587 14.823 1.00 0.00 H new ATOM 0 HA THR A 54 -1.805 -3.174 12.194 1.00 0.00 H new ATOM 0 HB THR A 54 -3.641 -4.694 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.185 -4.697 15.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.901 -6.140 14.351 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.455 -5.517 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.722 -4.815 14.206 1.00 0.00 H new ATOM 806 N ALA A 55 -4.172 -1.358 13.271 1.00 0.00 N ATOM 807 CA ALA A 55 -5.383 -0.695 12.902 1.00 0.00 C ATOM 808 C ALA A 55 -5.184 0.801 12.939 1.00 0.00 C ATOM 809 O ALA A 55 -6.142 1.557 13.105 1.00 0.00 O ATOM 810 CB ALA A 55 -6.488 -1.100 13.853 1.00 0.00 C ATOM 0 H ALA A 55 -3.733 -0.993 14.117 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.660 -0.984 11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.412 -0.595 13.573 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.634 -2.179 13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.214 -0.818 14.870 1.00 0.00 H new ATOM 816 N GLY A 56 -3.951 1.253 12.796 1.00 0.00 N ATOM 817 CA GLY A 56 -3.754 2.666 12.818 1.00 0.00 C ATOM 818 C GLY A 56 -2.324 3.041 12.755 1.00 0.00 C ATOM 819 O GLY A 56 -1.597 2.833 13.682 1.00 0.00 O ATOM 0 H GLY A 56 -3.115 0.683 12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.281 3.116 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.194 3.077 13.727 1.00 0.00 H new ATOM 823 N CYS A 57 -1.928 3.609 11.680 1.00 0.00 N ATOM 824 CA CYS A 57 -0.580 3.971 11.488 1.00 0.00 C ATOM 825 C CYS A 57 -0.347 5.370 11.977 1.00 0.00 C ATOM 826 O CYS A 57 -0.617 6.341 11.300 1.00 0.00 O ATOM 827 CB CYS A 57 -0.111 3.727 10.038 1.00 0.00 C ATOM 828 SG CYS A 57 -1.101 4.451 8.669 1.00 0.00 S ATOM 0 H CYS A 57 -2.541 3.838 10.898 1.00 0.00 H new ATOM 0 HA CYS A 57 0.049 3.317 12.091 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.907 4.107 9.949 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.064 2.649 9.881 1.00 0.00 H new ATOM 833 N THR A 58 0.120 5.457 13.186 1.00 0.00 N ATOM 834 CA THR A 58 0.296 6.714 13.842 1.00 0.00 C ATOM 835 C THR A 58 1.544 7.412 13.302 1.00 0.00 C ATOM 836 O THR A 58 1.488 8.562 12.850 1.00 0.00 O ATOM 837 CB THR A 58 0.421 6.485 15.361 1.00 0.00 C ATOM 838 OG1 THR A 58 -0.682 5.660 15.801 1.00 0.00 O ATOM 839 CG2 THR A 58 0.398 7.805 16.122 1.00 0.00 C ATOM 0 H THR A 58 0.391 4.650 13.748 1.00 0.00 H new ATOM 0 HA THR A 58 -0.567 7.351 13.649 1.00 0.00 H new ATOM 0 HB THR A 58 1.372 5.993 15.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.611 5.507 16.766 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.488 7.610 17.191 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.231 8.428 15.795 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.541 8.322 15.925 1.00 0.00 H new ATOM 847 N SER A 59 2.629 6.694 13.303 1.00 0.00 N ATOM 848 CA SER A 59 3.896 7.201 12.882 1.00 0.00 C ATOM 849 C SER A 59 4.101 6.947 11.393 1.00 0.00 C ATOM 850 O SER A 59 4.684 7.764 10.674 1.00 0.00 O ATOM 851 CB SER A 59 4.980 6.515 13.692 1.00 0.00 C ATOM 852 OG SER A 59 4.751 6.698 15.091 1.00 0.00 O ATOM 0 H SER A 59 2.655 5.720 13.603 1.00 0.00 H new ATOM 0 HA SER A 59 3.938 8.278 13.046 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.999 5.451 13.457 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.955 6.919 13.421 1.00 0.00 H new ATOM 0 HG SER A 59 5.458 6.248 15.600 1.00 0.00 H new ATOM 858 N ALA A 60 3.620 5.809 10.940 1.00 0.00 N ATOM 859 CA ALA A 60 3.781 5.396 9.562 1.00 0.00 C ATOM 860 C ALA A 60 2.816 6.114 8.614 1.00 0.00 C ATOM 861 O ALA A 60 3.059 6.163 7.422 1.00 0.00 O ATOM 862 CB ALA A 60 3.650 3.891 9.452 1.00 0.00 C ATOM 0 H ALA A 60 3.106 5.143 11.517 1.00 0.00 H new ATOM 0 HA ALA A 60 4.783 5.686 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.773 3.590 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.418 3.413 10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.665 3.585 9.805 1.00 0.00 H new ATOM 868 N GLY A 61 1.769 6.699 9.172 1.00 0.00 N ATOM 869 CA GLY A 61 0.749 7.417 8.393 1.00 0.00 C ATOM 870 C GLY A 61 1.312 8.444 7.395 1.00 0.00 C ATOM 871 O GLY A 61 1.084 8.328 6.193 1.00 0.00 O ATOM 0 H GLY A 61 1.594 6.695 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.149 6.689 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.078 7.930 9.082 1.00 0.00 H new ATOM 875 N PRO A 62 1.992 9.505 7.868 1.00 0.00 N ATOM 876 CA PRO A 62 2.601 10.507 6.995 1.00 0.00 C ATOM 877 C PRO A 62 4.007 10.095 6.536 1.00 0.00 C ATOM 878 O PRO A 62 4.725 10.883 5.902 1.00 0.00 O ATOM 879 CB PRO A 62 2.685 11.762 7.883 1.00 0.00 C ATOM 880 CG PRO A 62 2.170 11.353 9.232 1.00 0.00 C ATOM 881 CD PRO A 62 2.196 9.856 9.273 1.00 0.00 C ATOM 0 HA PRO A 62 2.023 10.652 6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.711 12.123 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.088 12.574 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.790 11.772 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.158 11.726 9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.144 9.476 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.410 9.452 9.912 1.00 0.00 H new ATOM 889 N HIS A 63 4.396 8.883 6.872 1.00 0.00 N ATOM 890 CA HIS A 63 5.720 8.395 6.584 1.00 0.00 C ATOM 891 C HIS A 63 5.819 7.873 5.175 1.00 0.00 C ATOM 892 O HIS A 63 4.888 7.286 4.644 1.00 0.00 O ATOM 893 CB HIS A 63 6.143 7.297 7.601 1.00 0.00 C ATOM 894 CG HIS A 63 7.504 6.646 7.362 1.00 0.00 C ATOM 895 ND1 HIS A 63 8.699 7.258 7.660 1.00 0.00 N ATOM 896 CD2 HIS A 63 7.839 5.413 6.872 1.00 0.00 C ATOM 897 CE1 HIS A 63 9.703 6.444 7.374 1.00 0.00 C ATOM 898 NE2 HIS A 63 9.208 5.315 6.896 1.00 0.00 N ATOM 0 H HIS A 63 3.799 8.211 7.353 1.00 0.00 H new ATOM 0 HA HIS A 63 6.406 9.237 6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.143 7.736 8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.384 6.515 7.597 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.151 4.655 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.751 6.665 7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.752 4.506 6.595 1.00 0.00 H new ATOM 907 N PHE A 64 6.936 8.125 4.584 1.00 0.00 N ATOM 908 CA PHE A 64 7.272 7.576 3.328 1.00 0.00 C ATOM 909 C PHE A 64 8.740 7.251 3.404 1.00 0.00 C ATOM 910 O PHE A 64 9.510 8.033 3.973 1.00 0.00 O ATOM 911 CB PHE A 64 6.968 8.561 2.158 1.00 0.00 C ATOM 912 CG PHE A 64 7.814 9.821 2.114 1.00 0.00 C ATOM 913 CD1 PHE A 64 7.532 10.902 2.933 1.00 0.00 C ATOM 914 CD2 PHE A 64 8.886 9.918 1.238 1.00 0.00 C ATOM 915 CE1 PHE A 64 8.303 12.051 2.880 1.00 0.00 C ATOM 916 CE2 PHE A 64 9.659 11.061 1.183 1.00 0.00 C ATOM 917 CZ PHE A 64 9.366 12.129 2.005 1.00 0.00 C ATOM 0 H PHE A 64 7.654 8.734 4.975 1.00 0.00 H new ATOM 0 HA PHE A 64 6.674 6.689 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.097 8.027 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.919 8.853 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.701 10.848 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.119 9.087 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.072 12.886 3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.492 11.118 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.968 13.025 1.963 1.00 0.00 H new ATOM 927 N ASN A 65 9.134 6.085 2.968 1.00 0.00 N ATOM 928 CA ASN A 65 10.552 5.802 2.955 1.00 0.00 C ATOM 929 C ASN A 65 11.205 6.510 1.760 1.00 0.00 C ATOM 930 O ASN A 65 10.617 6.552 0.680 1.00 0.00 O ATOM 931 CB ASN A 65 10.787 4.274 2.947 1.00 0.00 C ATOM 932 CG ASN A 65 12.230 3.857 2.690 1.00 0.00 C ATOM 933 OD1 ASN A 65 13.069 3.895 3.583 1.00 0.00 O ATOM 934 ND2 ASN A 65 12.492 3.317 1.524 1.00 0.00 N ATOM 0 H ASN A 65 8.526 5.340 2.629 1.00 0.00 H new ATOM 0 HA ASN A 65 11.022 6.189 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.470 3.866 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.151 3.826 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.412 2.916 1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.776 3.298 0.798 1.00 0.00 H new ATOM 941 N PRO A 66 12.439 7.057 1.940 1.00 0.00 N ATOM 942 CA PRO A 66 13.162 7.817 0.899 1.00 0.00 C ATOM 943 C PRO A 66 13.329 7.109 -0.442 1.00 0.00 C ATOM 944 O PRO A 66 13.318 7.752 -1.469 1.00 0.00 O ATOM 945 CB PRO A 66 14.524 8.074 1.526 1.00 0.00 C ATOM 946 CG PRO A 66 14.259 8.110 2.981 1.00 0.00 C ATOM 947 CD PRO A 66 13.193 7.085 3.224 1.00 0.00 C ATOM 0 HA PRO A 66 12.594 8.709 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.234 7.287 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.951 9.014 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.160 7.880 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.929 9.100 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.620 6.110 3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.552 7.363 4.060 1.00 0.00 H new ATOM 955 N LEU A 67 13.474 5.803 -0.452 1.00 0.00 N ATOM 956 CA LEU A 67 13.654 5.116 -1.715 1.00 0.00 C ATOM 957 C LEU A 67 12.317 5.001 -2.370 1.00 0.00 C ATOM 958 O LEU A 67 12.130 5.409 -3.498 1.00 0.00 O ATOM 959 CB LEU A 67 14.272 3.701 -1.541 1.00 0.00 C ATOM 960 CG LEU A 67 15.725 3.593 -1.025 1.00 0.00 C ATOM 961 CD1 LEU A 67 16.685 4.395 -1.891 1.00 0.00 C ATOM 962 CD2 LEU A 67 15.843 3.982 0.444 1.00 0.00 C ATOM 0 H LEU A 67 13.472 5.206 0.375 1.00 0.00 H new ATOM 0 HA LEU A 67 14.350 5.691 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.634 3.142 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.224 3.196 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 67 16.010 2.544 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.697 4.296 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.653 4.019 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.393 5.445 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 67 16.881 3.891 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 67 15.512 5.012 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.219 3.321 1.047 1.00 0.00 H new ATOM 974 N SER A 68 11.362 4.604 -1.538 1.00 0.00 N ATOM 975 CA SER A 68 9.979 4.243 -1.820 1.00 0.00 C ATOM 976 C SER A 68 9.078 5.347 -2.283 1.00 0.00 C ATOM 977 O SER A 68 7.861 5.311 -2.080 1.00 0.00 O ATOM 978 CB SER A 68 9.445 3.640 -0.585 1.00 0.00 C ATOM 979 OG SER A 68 10.354 2.628 -0.141 1.00 0.00 O ATOM 0 H SER A 68 11.560 4.518 -0.541 1.00 0.00 H new ATOM 0 HA SER A 68 9.996 3.564 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.321 4.402 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.461 3.210 -0.769 1.00 0.00 H new ATOM 0 HG SER A 68 10.715 2.150 -0.916 1.00 0.00 H new ATOM 985 N ARG A 69 9.633 6.242 -2.947 1.00 0.00 N ATOM 986 CA ARG A 69 8.867 7.243 -3.563 1.00 0.00 C ATOM 987 C ARG A 69 9.356 7.496 -4.969 1.00 0.00 C ATOM 988 O ARG A 69 8.542 7.505 -5.868 1.00 0.00 O ATOM 989 CB ARG A 69 8.761 8.521 -2.676 1.00 0.00 C ATOM 990 CG ARG A 69 10.074 9.031 -2.084 1.00 0.00 C ATOM 991 CD ARG A 69 10.938 9.768 -3.084 1.00 0.00 C ATOM 992 NE ARG A 69 12.283 9.968 -2.559 1.00 0.00 N ATOM 993 CZ ARG A 69 12.788 11.108 -2.103 1.00 0.00 C ATOM 994 NH1 ARG A 69 12.028 12.201 -2.030 1.00 0.00 N ATOM 995 NH2 ARG A 69 14.055 11.146 -1.695 1.00 0.00 N ATOM 0 H ARG A 69 10.640 6.318 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 69 7.840 6.892 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.319 9.319 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.071 8.316 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.853 9.694 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.635 8.187 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.987 9.203 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.488 10.732 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 69 12.896 9.153 -2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.052 12.164 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.422 13.074 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.629 10.304 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.452 12.017 -1.343 1.00 0.00 H new ATOM 1009 N LYS A 70 10.703 7.332 -5.181 1.00 0.00 N ATOM 1010 CA LYS A 70 11.403 7.709 -6.415 1.00 0.00 C ATOM 1011 C LYS A 70 10.781 8.959 -7.011 1.00 0.00 C ATOM 1012 O LYS A 70 11.174 10.083 -6.683 1.00 0.00 O ATOM 1013 CB LYS A 70 11.458 6.563 -7.465 1.00 0.00 C ATOM 1014 CG LYS A 70 12.169 6.955 -8.760 1.00 0.00 C ATOM 1015 CD LYS A 70 11.995 5.921 -9.861 1.00 0.00 C ATOM 1016 CE LYS A 70 12.623 6.420 -11.153 1.00 0.00 C ATOM 1017 NZ LYS A 70 12.450 5.486 -12.283 1.00 0.00 N ATOM 0 H LYS A 70 11.322 6.928 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 70 12.437 7.916 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.966 5.704 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.442 6.247 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.784 7.915 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.232 7.091 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.457 4.980 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.935 5.720 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.183 7.382 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.687 6.590 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.345 6.025 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.283 4.867 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.600 4.907 -12.128 1.00 0.00 H new ATOM 1031 N HIS A 71 9.756 8.743 -7.828 1.00 0.00 N ATOM 1032 CA HIS A 71 8.943 9.762 -8.482 1.00 0.00 C ATOM 1033 C HIS A 71 7.868 9.023 -9.301 1.00 0.00 C ATOM 1034 O HIS A 71 7.151 9.618 -10.080 1.00 0.00 O ATOM 1035 CB HIS A 71 9.802 10.661 -9.414 1.00 0.00 C ATOM 1036 CG HIS A 71 9.105 11.911 -9.932 1.00 0.00 C ATOM 1037 ND1 HIS A 71 8.484 11.988 -11.159 1.00 0.00 N ATOM 1038 CD2 HIS A 71 8.954 13.136 -9.369 1.00 0.00 C ATOM 1039 CE1 HIS A 71 7.987 13.195 -11.326 1.00 0.00 C ATOM 1040 NE2 HIS A 71 8.257 13.909 -10.260 1.00 0.00 N ATOM 0 H HIS A 71 9.453 7.798 -8.065 1.00 0.00 H new ATOM 0 HA HIS A 71 8.493 10.417 -7.736 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.700 10.962 -8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.127 10.066 -10.267 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.316 13.444 -8.399 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.447 13.540 -12.196 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.991 14.883 -10.117 1.00 0.00 H new ATOM 1049 N GLY A 72 7.725 7.712 -9.063 1.00 0.00 N ATOM 1050 CA GLY A 72 6.811 6.948 -9.863 1.00 0.00 C ATOM 1051 C GLY A 72 7.409 5.632 -10.298 1.00 0.00 C ATOM 1052 O GLY A 72 8.591 5.566 -10.647 1.00 0.00 O ATOM 0 H GLY A 72 8.222 7.188 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.899 6.763 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.527 7.526 -10.742 1.00 0.00 H new ATOM 1056 N GLY A 73 6.627 4.598 -10.161 1.00 0.00 N ATOM 1057 CA GLY A 73 6.991 3.267 -10.586 1.00 0.00 C ATOM 1058 C GLY A 73 5.762 2.397 -10.534 1.00 0.00 C ATOM 1059 O GLY A 73 5.508 1.817 -9.515 1.00 0.00 O ATOM 0 H GLY A 73 5.698 4.654 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.397 3.290 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.770 2.862 -9.939 1.00 0.00 H new ATOM 1063 N PRO A 74 4.911 2.401 -11.580 1.00 0.00 N ATOM 1064 CA PRO A 74 3.657 1.644 -11.583 1.00 0.00 C ATOM 1065 C PRO A 74 3.660 0.340 -12.433 1.00 0.00 C ATOM 1066 O PRO A 74 2.619 -0.319 -12.581 1.00 0.00 O ATOM 1067 CB PRO A 74 2.702 2.667 -12.199 1.00 0.00 C ATOM 1068 CG PRO A 74 3.572 3.564 -13.071 1.00 0.00 C ATOM 1069 CD PRO A 74 5.022 3.213 -12.789 1.00 0.00 C ATOM 0 HA PRO A 74 3.411 1.278 -10.586 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.929 2.176 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.194 3.244 -11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.340 3.414 -14.125 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.382 4.614 -12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.475 2.659 -13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.633 4.102 -12.629 1.00 0.00 H new ATOM 1077 N LYS A 75 4.769 0.054 -13.065 1.00 0.00 N ATOM 1078 CA LYS A 75 4.921 -1.128 -13.883 1.00 0.00 C ATOM 1079 C LYS A 75 6.081 -1.986 -13.439 1.00 0.00 C ATOM 1080 O LYS A 75 6.205 -3.138 -13.858 1.00 0.00 O ATOM 1081 CB LYS A 75 5.029 -0.799 -15.367 1.00 0.00 C ATOM 1082 CG LYS A 75 3.725 -0.354 -15.982 1.00 0.00 C ATOM 1083 CD LYS A 75 3.837 -0.236 -17.480 1.00 0.00 C ATOM 1084 CE LYS A 75 2.470 -0.094 -18.120 1.00 0.00 C ATOM 1085 NZ LYS A 75 1.625 -1.284 -17.868 1.00 0.00 N ATOM 0 H LYS A 75 5.603 0.640 -13.028 1.00 0.00 H new ATOM 0 HA LYS A 75 4.008 -1.707 -13.741 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.773 -0.014 -15.504 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.392 -1.678 -15.900 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.940 -1.066 -15.729 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.431 0.607 -15.560 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.453 0.627 -17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.340 -1.116 -17.881 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.975 0.794 -17.728 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.584 0.052 -19.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.889 -1.348 -18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.215 -2.140 -17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.178 -1.200 -16.933 1.00 0.00 H new ATOM 1099 N ASP A 76 6.906 -1.437 -12.570 1.00 0.00 N ATOM 1100 CA ASP A 76 8.155 -2.067 -12.167 1.00 0.00 C ATOM 1101 C ASP A 76 8.850 -1.142 -11.200 1.00 0.00 C ATOM 1102 O ASP A 76 9.577 -0.215 -11.598 1.00 0.00 O ATOM 1103 CB ASP A 76 9.072 -2.342 -13.369 1.00 0.00 C ATOM 1104 CG ASP A 76 10.213 -3.265 -13.037 1.00 0.00 C ATOM 1105 OD1 ASP A 76 11.282 -2.806 -12.592 1.00 0.00 O ATOM 1106 OD2 ASP A 76 10.077 -4.485 -13.254 1.00 0.00 O ATOM 0 H ASP A 76 6.732 -0.538 -12.120 1.00 0.00 H new ATOM 0 HA ASP A 76 7.934 -3.029 -11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.483 -2.777 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.471 -1.397 -13.738 1.00 0.00 H new ATOM 1111 N GLU A 77 8.529 -1.316 -9.967 1.00 0.00 N ATOM 1112 CA GLU A 77 9.014 -0.531 -8.881 1.00 0.00 C ATOM 1113 C GLU A 77 10.493 -0.409 -8.710 1.00 0.00 C ATOM 1114 O GLU A 77 11.278 -1.349 -8.932 1.00 0.00 O ATOM 1115 CB GLU A 77 8.353 -0.933 -7.615 1.00 0.00 C ATOM 1116 CG GLU A 77 7.125 -0.141 -7.371 1.00 0.00 C ATOM 1117 CD GLU A 77 7.475 1.179 -6.837 1.00 0.00 C ATOM 1118 OE1 GLU A 77 8.553 1.734 -7.193 1.00 0.00 O ATOM 1119 OE2 GLU A 77 6.764 1.678 -5.988 1.00 0.00 O ATOM 0 H GLU A 77 7.886 -2.050 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 77 8.734 0.484 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.102 -1.993 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.045 -0.800 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.564 -0.030 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.478 -0.666 -6.669 1.00 0.00 H new ATOM 1126 N GLU A 78 10.852 0.762 -8.231 1.00 0.00 N ATOM 1127 CA GLU A 78 12.191 1.166 -8.016 1.00 0.00 C ATOM 1128 C GLU A 78 12.234 1.885 -6.705 1.00 0.00 C ATOM 1129 O GLU A 78 13.286 2.101 -6.130 1.00 0.00 O ATOM 1130 CB GLU A 78 12.620 2.109 -9.114 1.00 0.00 C ATOM 1131 CG GLU A 78 12.689 1.491 -10.492 1.00 0.00 C ATOM 1132 CD GLU A 78 12.849 2.535 -11.542 1.00 0.00 C ATOM 1133 OE1 GLU A 78 13.839 3.278 -11.515 1.00 0.00 O ATOM 1134 OE2 GLU A 78 11.943 2.705 -12.365 1.00 0.00 O ATOM 0 H GLU A 78 10.173 1.479 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 78 12.857 0.303 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.927 2.949 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.601 2.513 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.525 0.793 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.782 0.916 -10.682 1.00 0.00 H new ATOM 1141 N ARG A 79 11.068 2.277 -6.228 1.00 0.00 N ATOM 1142 CA ARG A 79 10.984 2.903 -5.026 1.00 0.00 C ATOM 1143 C ARG A 79 10.417 1.889 -4.062 1.00 0.00 C ATOM 1144 O ARG A 79 10.838 1.779 -2.902 1.00 0.00 O ATOM 1145 CB ARG A 79 10.129 4.170 -5.187 1.00 0.00 C ATOM 1146 CG ARG A 79 8.608 4.064 -5.327 1.00 0.00 C ATOM 1147 CD ARG A 79 8.109 4.584 -6.674 1.00 0.00 C ATOM 1148 NE ARG A 79 6.846 5.357 -6.562 1.00 0.00 N ATOM 1149 CZ ARG A 79 5.635 4.928 -6.978 1.00 0.00 C ATOM 1150 NH1 ARG A 79 5.402 3.637 -7.132 1.00 0.00 N ATOM 1151 NH2 ARG A 79 4.639 5.798 -7.129 1.00 0.00 N ATOM 0 H ARG A 79 10.176 2.146 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 79 11.944 3.243 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.330 4.806 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.498 4.698 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.307 3.023 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.132 4.627 -4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.877 5.215 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.955 3.742 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 79 6.897 6.283 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.138 2.959 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.486 3.318 -7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.791 6.787 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.724 5.476 -7.443 1.00 0.00 H new ATOM 1165 N HIS A 80 9.501 1.114 -4.600 1.00 0.00 N ATOM 1166 CA HIS A 80 8.846 0.008 -3.937 1.00 0.00 C ATOM 1167 C HIS A 80 7.912 0.521 -2.884 1.00 0.00 C ATOM 1168 O HIS A 80 8.210 0.467 -1.685 1.00 0.00 O ATOM 1169 CB HIS A 80 9.828 -1.037 -3.344 1.00 0.00 C ATOM 1170 CG HIS A 80 10.810 -1.605 -4.323 1.00 0.00 C ATOM 1171 ND1 HIS A 80 12.144 -1.266 -4.332 1.00 0.00 N ATOM 1172 CD2 HIS A 80 10.653 -2.499 -5.316 1.00 0.00 C ATOM 1173 CE1 HIS A 80 12.758 -1.921 -5.287 1.00 0.00 C ATOM 1174 NE2 HIS A 80 11.875 -2.677 -5.897 1.00 0.00 N ATOM 0 H HIS A 80 9.177 1.245 -5.558 1.00 0.00 H new ATOM 0 HA HIS A 80 8.281 -0.522 -4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.379 -0.573 -2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.250 -1.855 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.732 -2.985 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.808 -1.851 -5.530 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.071 -3.299 -6.681 1.00 0.00 H new ATOM 1183 N VAL A 81 6.791 1.049 -3.322 1.00 0.00 N ATOM 1184 CA VAL A 81 5.763 1.582 -2.428 1.00 0.00 C ATOM 1185 C VAL A 81 4.924 0.470 -1.790 1.00 0.00 C ATOM 1186 O VAL A 81 3.817 0.721 -1.340 1.00 0.00 O ATOM 1187 CB VAL A 81 4.817 2.592 -3.141 1.00 0.00 C ATOM 1188 CG1 VAL A 81 5.559 3.820 -3.581 1.00 0.00 C ATOM 1189 CG2 VAL A 81 4.084 1.965 -4.315 1.00 0.00 C ATOM 0 H VAL A 81 6.557 1.126 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 81 6.306 2.111 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 81 4.068 2.886 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.869 4.504 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.997 4.311 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.350 3.538 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.437 2.709 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.808 1.607 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.480 1.129 -3.962 1.00 0.00 H new ATOM 1199 N GLY A 82 5.511 -0.726 -1.704 1.00 0.00 N ATOM 1200 CA GLY A 82 4.873 -1.920 -1.110 1.00 0.00 C ATOM 1201 C GLY A 82 3.712 -2.455 -1.915 1.00 0.00 C ATOM 1202 O GLY A 82 3.807 -3.530 -2.497 1.00 0.00 O ATOM 0 H GLY A 82 6.455 -0.902 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.621 -2.705 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.525 -1.673 -0.107 1.00 0.00 H new ATOM 1206 N ASP A 83 2.641 -1.720 -1.938 1.00 0.00 N ATOM 1207 CA ASP A 83 1.486 -2.060 -2.742 1.00 0.00 C ATOM 1208 C ASP A 83 1.518 -1.239 -3.978 1.00 0.00 C ATOM 1209 O ASP A 83 1.679 -0.012 -3.910 1.00 0.00 O ATOM 1210 CB ASP A 83 0.162 -1.772 -2.016 1.00 0.00 C ATOM 1211 CG ASP A 83 -1.066 -1.999 -2.915 1.00 0.00 C ATOM 1212 OD1 ASP A 83 -1.465 -1.050 -3.632 1.00 0.00 O ATOM 1213 OD2 ASP A 83 -1.620 -3.114 -2.906 1.00 0.00 O ATOM 0 H ASP A 83 2.535 -0.860 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 83 1.532 -3.128 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.087 -2.412 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.163 -0.741 -1.661 1.00 0.00 H new ATOM 1218 N LEU A 84 1.420 -1.882 -5.089 1.00 0.00 N ATOM 1219 CA LEU A 84 1.289 -1.187 -6.305 1.00 0.00 C ATOM 1220 C LEU A 84 0.033 -1.693 -6.923 1.00 0.00 C ATOM 1221 O LEU A 84 0.016 -2.699 -7.649 1.00 0.00 O ATOM 1222 CB LEU A 84 2.492 -1.400 -7.250 1.00 0.00 C ATOM 1223 CG LEU A 84 2.712 -0.361 -8.376 1.00 0.00 C ATOM 1224 CD1 LEU A 84 1.540 -0.282 -9.347 1.00 0.00 C ATOM 1225 CD2 LEU A 84 3.014 0.993 -7.778 1.00 0.00 C ATOM 0 H LEU A 84 1.429 -2.899 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 84 1.258 -0.112 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.396 -1.432 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.385 -2.381 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 84 3.569 -0.694 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.752 0.463 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.391 -1.254 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.637 0.002 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.167 1.718 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.177 1.311 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.915 0.929 -7.169 1.00 0.00 H new ATOM 1237 N GLY A 85 -1.004 -1.067 -6.569 1.00 0.00 N ATOM 1238 CA GLY A 85 -2.239 -1.333 -7.122 1.00 0.00 C ATOM 1239 C GLY A 85 -3.064 -0.128 -7.024 1.00 0.00 C ATOM 1240 O GLY A 85 -3.082 0.530 -6.000 1.00 0.00 O ATOM 0 H GLY A 85 -1.010 -0.332 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.130 -1.633 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.717 -2.162 -6.600 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.689 0.244 -8.082 1.00 0.00 N ATOM 1245 CA ASN A 86 -4.598 1.364 -7.976 1.00 0.00 C ATOM 1246 C ASN A 86 -5.848 0.876 -7.236 1.00 0.00 C ATOM 1247 O ASN A 86 -6.443 -0.139 -7.621 1.00 0.00 O ATOM 1248 CB ASN A 86 -4.965 1.994 -9.356 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.479 1.005 -10.404 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -5.033 -0.137 -10.476 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -6.428 1.421 -11.198 1.00 0.00 N ATOM 0 H ASN A 86 -3.605 -0.181 -9.005 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.107 2.165 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.725 2.760 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.084 2.497 -9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.818 0.792 -11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.780 2.375 -11.116 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.292 1.598 -6.173 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.412 1.143 -5.336 1.00 0.00 C ATOM 1260 C VAL A 87 -8.614 2.057 -5.562 1.00 0.00 C ATOM 1261 O VAL A 87 -8.485 3.274 -5.461 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.016 1.235 -3.823 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -8.108 0.687 -2.917 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -5.688 0.540 -3.543 1.00 0.00 C ATOM 0 H VAL A 87 -5.889 2.489 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.654 0.114 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.895 2.294 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.793 0.770 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.024 1.258 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.290 -0.360 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.449 0.626 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.764 -0.513 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.900 1.010 -4.132 1.00 0.00 H new ATOM 1274 N THR A 88 -9.766 1.486 -5.861 1.00 0.00 N ATOM 1275 CA THR A 88 -10.937 2.259 -6.107 1.00 0.00 C ATOM 1276 C THR A 88 -12.164 1.572 -5.511 1.00 0.00 C ATOM 1277 O THR A 88 -12.696 0.634 -6.101 1.00 0.00 O ATOM 1278 CB THR A 88 -11.110 2.595 -7.647 1.00 0.00 C ATOM 1279 OG1 THR A 88 -12.379 3.219 -7.929 1.00 0.00 O ATOM 1280 CG2 THR A 88 -10.921 1.365 -8.540 1.00 0.00 C ATOM 0 H THR A 88 -9.901 0.478 -5.936 1.00 0.00 H new ATOM 0 HA THR A 88 -10.826 3.220 -5.604 1.00 0.00 H new ATOM 0 HB THR A 88 -10.319 3.307 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.326 4.176 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.050 1.650 -9.584 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.919 0.961 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.659 0.607 -8.277 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.571 1.968 -4.304 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.784 1.417 -3.753 1.00 0.00 C ATOM 1290 C ALA A 89 -14.925 2.163 -4.387 1.00 0.00 C ATOM 1291 O ALA A 89 -15.125 3.320 -4.139 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.808 1.556 -2.235 1.00 0.00 C ATOM 0 H ALA A 89 -12.089 2.647 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.857 0.350 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.734 1.132 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.958 1.025 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.750 2.610 -1.965 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.594 1.500 -5.254 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.617 2.146 -6.008 1.00 0.00 C ATOM 1300 C ASP A 90 -17.704 2.573 -5.072 1.00 0.00 C ATOM 1301 O ASP A 90 -17.713 2.137 -3.931 1.00 0.00 O ATOM 1302 CB ASP A 90 -17.134 1.219 -7.114 1.00 0.00 C ATOM 1303 CG ASP A 90 -18.011 1.938 -8.108 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -17.630 3.039 -8.542 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -19.085 1.423 -8.459 1.00 0.00 O ATOM 0 H ASP A 90 -15.457 0.511 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.220 3.032 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.287 0.775 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.696 0.400 -6.664 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.536 3.464 -5.511 1.00 0.00 N ATOM 1311 CA LYS A 91 -19.771 3.969 -4.809 1.00 0.00 C ATOM 1312 C LYS A 91 -20.695 2.894 -4.066 1.00 0.00 C ATOM 1313 O LYS A 91 -21.784 3.213 -3.625 1.00 0.00 O ATOM 1314 CB LYS A 91 -20.604 4.750 -5.817 1.00 0.00 C ATOM 1315 CG LYS A 91 -21.004 3.929 -7.025 1.00 0.00 C ATOM 1316 CD LYS A 91 -21.678 4.776 -8.066 1.00 0.00 C ATOM 1317 CE LYS A 91 -22.037 3.957 -9.285 1.00 0.00 C ATOM 1318 NZ LYS A 91 -22.610 4.795 -10.357 1.00 0.00 N ATOM 0 H LYS A 91 -18.403 3.912 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.394 4.580 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.503 5.122 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.038 5.621 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.120 3.457 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.675 3.128 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.579 5.224 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.019 5.595 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -21.147 3.449 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -22.753 3.184 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.844 4.199 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.473 5.260 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.917 5.517 -10.641 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.186 1.720 -3.860 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.832 0.612 -3.183 1.00 0.00 C ATOM 1334 C ASP A 92 -19.918 0.130 -2.037 1.00 0.00 C ATOM 1335 O ASP A 92 -20.387 -0.322 -0.999 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.094 -0.532 -4.178 1.00 0.00 C ATOM 1337 CG ASP A 92 -21.597 -1.808 -3.522 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -22.762 -1.859 -3.075 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -20.845 -2.805 -3.489 1.00 0.00 O ATOM 0 H ASP A 92 -19.246 1.483 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.789 0.934 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.825 -0.200 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -20.173 -0.750 -4.718 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.610 0.311 -2.221 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.625 -0.105 -1.245 1.00 0.00 C ATOM 1346 C GLY A 93 -16.903 -1.369 -1.663 1.00 0.00 C ATOM 1347 O GLY A 93 -17.043 -2.397 -1.021 1.00 0.00 O ATOM 0 H GLY A 93 -18.213 0.750 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.899 0.695 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.114 -0.269 -0.285 1.00 0.00 H new ATOM 1351 N VAL A 94 -16.111 -1.297 -2.728 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.462 -2.467 -3.267 1.00 0.00 C ATOM 1353 C VAL A 94 -14.280 -2.068 -4.148 1.00 0.00 C ATOM 1354 O VAL A 94 -14.452 -1.346 -5.132 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.459 -3.414 -4.032 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -17.201 -2.697 -5.163 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -15.739 -4.652 -4.555 1.00 0.00 C ATOM 0 H VAL A 94 -15.908 -0.433 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.083 -3.043 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.213 -3.727 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.875 -3.397 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.776 -1.867 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.480 -2.316 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -16.449 -5.291 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.947 -4.350 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.306 -5.201 -3.719 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.098 -2.469 -3.761 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.919 -2.234 -4.542 1.00 0.00 C ATOM 1369 C ALA A 95 -11.270 -3.548 -4.849 1.00 0.00 C ATOM 1370 O ALA A 95 -11.004 -4.334 -3.938 1.00 0.00 O ATOM 1371 CB ALA A 95 -10.944 -1.335 -3.818 1.00 0.00 C ATOM 0 H ALA A 95 -12.928 -2.971 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.208 -1.731 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.062 -1.179 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.418 -0.375 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.647 -1.802 -2.879 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.069 -3.807 -6.099 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.426 -5.036 -6.538 1.00 0.00 C ATOM 1379 C ASP A 96 -9.074 -4.701 -7.114 1.00 0.00 C ATOM 1380 O ASP A 96 -8.984 -4.011 -8.149 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.278 -5.752 -7.588 1.00 0.00 C ATOM 1382 CG ASP A 96 -10.649 -7.040 -8.074 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -9.894 -7.018 -9.059 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -10.927 -8.111 -7.483 1.00 0.00 O ATOM 0 H ASP A 96 -11.340 -3.182 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.313 -5.703 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.260 -5.969 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.435 -5.087 -8.437 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.026 -5.123 -6.443 1.00 0.00 N ATOM 1390 CA VAL A 97 -6.683 -4.818 -6.889 1.00 0.00 C ATOM 1391 C VAL A 97 -5.905 -6.049 -7.356 1.00 0.00 C ATOM 1392 O VAL A 97 -5.848 -7.084 -6.668 1.00 0.00 O ATOM 1393 CB VAL A 97 -5.844 -4.022 -5.834 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.485 -2.690 -5.526 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -5.635 -4.808 -4.545 1.00 0.00 C ATOM 0 H VAL A 97 -8.076 -5.677 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.832 -4.170 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.864 -3.853 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.882 -2.157 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.550 -2.098 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.486 -2.852 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.048 -4.212 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.602 -5.040 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.105 -5.735 -4.766 1.00 0.00 H new ATOM 1405 N SER A 98 -5.404 -5.960 -8.559 1.00 0.00 N ATOM 1406 CA SER A 98 -4.469 -6.903 -9.121 1.00 0.00 C ATOM 1407 C SER A 98 -3.674 -6.167 -10.186 1.00 0.00 C ATOM 1408 O SER A 98 -4.167 -5.921 -11.268 1.00 0.00 O ATOM 1409 CB SER A 98 -5.181 -8.119 -9.749 1.00 0.00 C ATOM 1410 OG SER A 98 -6.006 -8.797 -8.786 1.00 0.00 O ATOM 0 H SER A 98 -5.643 -5.203 -9.199 1.00 0.00 H new ATOM 0 HA SER A 98 -3.824 -7.288 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.794 -7.791 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.439 -8.811 -10.147 1.00 0.00 H new ATOM 0 HG SER A 98 -5.959 -8.328 -7.927 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.481 -5.773 -9.851 1.00 0.00 N ATOM 1417 CA ILE A 99 -1.599 -5.075 -10.779 1.00 0.00 C ATOM 1418 C ILE A 99 -0.278 -5.792 -10.738 1.00 0.00 C ATOM 1419 O ILE A 99 0.042 -6.406 -9.725 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.410 -3.555 -10.386 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -2.748 -2.794 -10.423 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -0.384 -2.849 -11.278 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -3.415 -2.772 -11.783 1.00 0.00 C ATOM 0 H ILE A 99 -2.078 -5.921 -8.926 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.030 -5.081 -11.780 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.029 -3.548 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.430 -3.247 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.578 -1.768 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.289 -1.808 -10.969 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.582 -3.345 -11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.714 -2.891 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.351 -2.216 -11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.755 -2.291 -12.504 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.620 -3.793 -12.104 1.00 0.00 H new ATOM 1435 N GLU A 100 0.446 -5.803 -11.816 1.00 0.00 N ATOM 1436 CA GLU A 100 1.712 -6.456 -11.814 1.00 0.00 C ATOM 1437 C GLU A 100 2.881 -5.464 -11.889 1.00 0.00 C ATOM 1438 O GLU A 100 3.030 -4.658 -12.852 1.00 0.00 O ATOM 1439 CB GLU A 100 1.780 -7.577 -12.837 1.00 0.00 C ATOM 1440 CG GLU A 100 1.480 -7.171 -14.258 1.00 0.00 C ATOM 1441 CD GLU A 100 1.618 -8.328 -15.194 1.00 0.00 C ATOM 1442 OE1 GLU A 100 0.665 -9.118 -15.331 1.00 0.00 O ATOM 1443 OE2 GLU A 100 2.678 -8.478 -15.812 1.00 0.00 O ATOM 0 H GLU A 100 0.181 -5.370 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 100 1.822 -6.946 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.777 -8.016 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.078 -8.358 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.468 -6.771 -14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.157 -6.373 -14.561 1.00 0.00 H new ATOM 1450 N ASP A 101 3.672 -5.516 -10.860 1.00 0.00 N ATOM 1451 CA ASP A 101 4.795 -4.640 -10.644 1.00 0.00 C ATOM 1452 C ASP A 101 5.641 -5.276 -9.556 1.00 0.00 C ATOM 1453 O ASP A 101 5.084 -5.806 -8.586 1.00 0.00 O ATOM 1454 CB ASP A 101 4.274 -3.284 -10.127 1.00 0.00 C ATOM 1455 CG ASP A 101 5.362 -2.264 -9.891 1.00 0.00 C ATOM 1456 OD1 ASP A 101 6.325 -2.565 -9.194 1.00 0.00 O ATOM 1457 OD2 ASP A 101 5.263 -1.155 -10.410 1.00 0.00 O ATOM 0 H ASP A 101 3.551 -6.199 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 101 5.364 -4.490 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.561 -2.881 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.731 -3.445 -9.196 1.00 0.00 H new ATOM 1462 N SER A 102 6.951 -5.259 -9.688 1.00 0.00 N ATOM 1463 CA SER A 102 7.769 -5.759 -8.620 1.00 0.00 C ATOM 1464 C SER A 102 7.941 -4.668 -7.559 1.00 0.00 C ATOM 1465 O SER A 102 8.955 -3.970 -7.501 1.00 0.00 O ATOM 1466 CB SER A 102 9.114 -6.239 -9.139 1.00 0.00 C ATOM 1467 OG SER A 102 8.942 -7.293 -10.074 1.00 0.00 O ATOM 0 H SER A 102 7.455 -4.913 -10.504 1.00 0.00 H new ATOM 0 HA SER A 102 7.276 -6.619 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.645 -5.411 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.730 -6.581 -8.307 1.00 0.00 H new ATOM 0 HG SER A 102 9.320 -7.028 -10.939 1.00 0.00 H new ATOM 1473 N VAL A 103 6.922 -4.540 -6.747 1.00 0.00 N ATOM 1474 CA VAL A 103 6.834 -3.546 -5.697 1.00 0.00 C ATOM 1475 C VAL A 103 6.985 -4.213 -4.337 1.00 0.00 C ATOM 1476 O VAL A 103 7.324 -3.580 -3.325 1.00 0.00 O ATOM 1477 CB VAL A 103 5.449 -2.845 -5.803 1.00 0.00 C ATOM 1478 CG1 VAL A 103 4.309 -3.859 -5.666 1.00 0.00 C ATOM 1479 CG2 VAL A 103 5.304 -1.727 -4.792 1.00 0.00 C ATOM 0 H VAL A 103 6.101 -5.143 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 103 7.631 -2.811 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 103 5.389 -2.396 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.352 -3.343 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.386 -4.602 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.377 -4.354 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 103 4.323 -1.264 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 103 5.406 -2.132 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.079 -0.980 -4.963 1.00 0.00 H new ATOM 1489 N ILE A 104 6.845 -5.508 -4.378 1.00 0.00 N ATOM 1490 CA ILE A 104 6.811 -6.386 -3.222 1.00 0.00 C ATOM 1491 C ILE A 104 8.202 -6.643 -2.673 1.00 0.00 C ATOM 1492 O ILE A 104 8.366 -7.302 -1.659 1.00 0.00 O ATOM 1493 CB ILE A 104 6.198 -7.766 -3.607 1.00 0.00 C ATOM 1494 CG1 ILE A 104 7.161 -8.638 -4.511 1.00 0.00 C ATOM 1495 CG2 ILE A 104 4.831 -7.594 -4.256 1.00 0.00 C ATOM 1496 CD1 ILE A 104 7.601 -8.062 -5.848 1.00 0.00 C ATOM 0 H ILE A 104 6.746 -6.014 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 104 6.205 -5.887 -2.466 1.00 0.00 H new ATOM 0 HB ILE A 104 6.069 -8.320 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.057 -8.856 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.667 -9.590 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.425 -8.572 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.158 -7.095 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.930 -6.992 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.256 -8.772 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.725 -7.873 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.137 -7.128 -5.683 1.00 0.00 H new ATOM 1508 N SER A 105 9.177 -6.116 -3.326 1.00 0.00 N ATOM 1509 CA SER A 105 10.520 -6.380 -2.993 1.00 0.00 C ATOM 1510 C SER A 105 10.874 -5.773 -1.633 1.00 0.00 C ATOM 1511 O SER A 105 10.510 -4.615 -1.315 1.00 0.00 O ATOM 1512 CB SER A 105 11.394 -5.750 -4.069 1.00 0.00 C ATOM 1513 OG SER A 105 10.874 -6.022 -5.369 1.00 0.00 O ATOM 0 H SER A 105 9.056 -5.482 -4.116 1.00 0.00 H new ATOM 0 HA SER A 105 10.680 -7.457 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.450 -4.673 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.410 -6.137 -3.991 1.00 0.00 H new ATOM 0 HG SER A 105 11.577 -6.415 -5.927 1.00 0.00 H new ATOM 1519 N LEU A 106 11.489 -6.591 -0.794 1.00 0.00 N ATOM 1520 CA LEU A 106 12.089 -6.115 0.408 1.00 0.00 C ATOM 1521 C LEU A 106 13.271 -5.270 0.020 1.00 0.00 C ATOM 1522 O LEU A 106 14.393 -5.741 -0.198 1.00 0.00 O ATOM 1523 CB LEU A 106 12.581 -7.240 1.353 1.00 0.00 C ATOM 1524 CG LEU A 106 11.554 -8.232 1.911 1.00 0.00 C ATOM 1525 CD1 LEU A 106 11.053 -9.206 0.851 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.125 -8.977 3.102 1.00 0.00 C ATOM 0 H LEU A 106 11.578 -7.597 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 106 11.328 -5.559 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.338 -7.813 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.078 -6.767 2.200 1.00 0.00 H new ATOM 0 HG LEU A 106 10.692 -7.652 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.328 -9.887 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.579 -8.651 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.893 -9.778 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.381 -9.676 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.015 -9.526 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.389 -8.265 3.884 1.00 0.00 H new ATOM 1538 N SER A 107 12.934 -4.071 -0.175 1.00 0.00 N ATOM 1539 CA SER A 107 13.760 -2.997 -0.403 1.00 0.00 C ATOM 1540 C SER A 107 12.826 -1.857 -0.201 1.00 0.00 C ATOM 1541 O SER A 107 12.070 -1.463 -1.089 1.00 0.00 O ATOM 1542 CB SER A 107 14.351 -3.006 -1.831 1.00 0.00 C ATOM 1543 OG SER A 107 15.280 -1.942 -2.021 1.00 0.00 O ATOM 0 H SER A 107 11.952 -3.796 -0.177 1.00 0.00 H new ATOM 0 HA SER A 107 14.638 -2.975 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.846 -3.959 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.545 -2.920 -2.560 1.00 0.00 H new ATOM 0 HG SER A 107 15.636 -1.978 -2.933 1.00 0.00 H new ATOM 1549 N GLY A 108 12.745 -1.473 1.003 1.00 0.00 N ATOM 1550 CA GLY A 108 11.914 -0.378 1.383 1.00 0.00 C ATOM 1551 C GLY A 108 11.731 -0.334 2.877 1.00 0.00 C ATOM 1552 O GLY A 108 11.425 -1.357 3.476 1.00 0.00 O ATOM 0 H GLY A 108 13.254 -1.905 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.358 0.556 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.943 -0.468 0.896 1.00 0.00 H new ATOM 1556 N ASP A 109 11.821 0.865 3.429 1.00 0.00 N ATOM 1557 CA ASP A 109 11.851 1.168 4.863 1.00 0.00 C ATOM 1558 C ASP A 109 12.888 0.320 5.613 1.00 0.00 C ATOM 1559 O ASP A 109 14.033 0.752 5.789 1.00 0.00 O ATOM 1560 CB ASP A 109 10.467 1.134 5.504 1.00 0.00 C ATOM 1561 CG ASP A 109 10.501 1.632 6.925 1.00 0.00 C ATOM 1562 OD1 ASP A 109 10.752 0.832 7.839 1.00 0.00 O ATOM 1563 OD2 ASP A 109 10.290 2.870 7.144 1.00 0.00 O ATOM 0 H ASP A 109 11.879 1.709 2.859 1.00 0.00 H new ATOM 0 HA ASP A 109 12.185 2.202 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.780 1.746 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.081 0.115 5.484 1.00 0.00 H new ATOM 1568 N HIS A 110 12.508 -0.860 6.019 1.00 0.00 N ATOM 1569 CA HIS A 110 13.420 -1.815 6.615 1.00 0.00 C ATOM 1570 C HIS A 110 13.352 -3.098 5.815 1.00 0.00 C ATOM 1571 O HIS A 110 14.380 -3.691 5.444 1.00 0.00 O ATOM 1572 CB HIS A 110 13.056 -2.092 8.086 1.00 0.00 C ATOM 1573 CG HIS A 110 13.917 -3.138 8.736 1.00 0.00 C ATOM 1574 ND1 HIS A 110 13.589 -4.478 8.752 1.00 0.00 N ATOM 1575 CD2 HIS A 110 15.097 -3.039 9.379 1.00 0.00 C ATOM 1576 CE1 HIS A 110 14.528 -5.149 9.374 1.00 0.00 C ATOM 1577 NE2 HIS A 110 15.452 -4.303 9.765 1.00 0.00 N ATOM 0 H HIS A 110 11.547 -1.196 5.948 1.00 0.00 H new ATOM 0 HA HIS A 110 14.430 -1.406 6.598 1.00 0.00 H new ATOM 0 HB2 HIS A 110 13.138 -1.164 8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 110 12.014 -2.407 8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.657 -2.133 9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.539 -6.217 9.537 1.00 0.00 H new ATOM 0 HE2 HIS A 110 16.300 -4.549 10.276 1.00 0.00 H new ATOM 1586 N SER A 111 12.142 -3.508 5.560 1.00 0.00 N ATOM 1587 CA SER A 111 11.830 -4.687 4.815 1.00 0.00 C ATOM 1588 C SER A 111 10.346 -4.629 4.511 1.00 0.00 C ATOM 1589 O SER A 111 9.754 -3.551 4.582 1.00 0.00 O ATOM 1590 CB SER A 111 12.222 -5.935 5.628 1.00 0.00 C ATOM 1591 OG SER A 111 11.780 -5.842 6.975 1.00 0.00 O ATOM 0 H SER A 111 11.314 -3.006 5.881 1.00 0.00 H new ATOM 0 HA SER A 111 12.388 -4.745 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.792 -6.822 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.305 -6.058 5.607 1.00 0.00 H new ATOM 0 HG SER A 111 12.502 -5.484 7.532 1.00 0.00 H new ATOM 1597 N ILE A 112 9.725 -5.718 4.157 1.00 0.00 N ATOM 1598 CA ILE A 112 8.329 -5.667 3.895 1.00 0.00 C ATOM 1599 C ILE A 112 7.572 -6.285 5.087 1.00 0.00 C ATOM 1600 O ILE A 112 6.482 -6.804 4.945 1.00 0.00 O ATOM 1601 CB ILE A 112 7.977 -6.362 2.536 1.00 0.00 C ATOM 1602 CG1 ILE A 112 6.543 -5.970 2.085 1.00 0.00 C ATOM 1603 CG2 ILE A 112 8.122 -7.881 2.644 1.00 0.00 C ATOM 1604 CD1 ILE A 112 6.110 -6.544 0.753 1.00 0.00 C ATOM 0 H ILE A 112 10.160 -6.634 4.047 1.00 0.00 H new ATOM 0 HA ILE A 112 8.015 -4.629 3.789 1.00 0.00 H new ATOM 0 HB ILE A 112 8.681 -6.015 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.837 -6.294 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.480 -4.883 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.872 -8.339 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.150 -8.131 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.448 -8.257 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.096 -6.213 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.787 -6.200 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.134 -7.633 0.801 1.00 0.00 H new ATOM 1616 N ILE A 113 8.175 -6.251 6.262 1.00 0.00 N ATOM 1617 CA ILE A 113 7.484 -6.680 7.468 1.00 0.00 C ATOM 1618 C ILE A 113 7.029 -5.479 8.317 1.00 0.00 C ATOM 1619 O ILE A 113 7.624 -4.399 8.231 1.00 0.00 O ATOM 1620 CB ILE A 113 8.238 -7.793 8.300 1.00 0.00 C ATOM 1621 CG1 ILE A 113 9.673 -7.409 8.716 1.00 0.00 C ATOM 1622 CG2 ILE A 113 8.255 -9.105 7.537 1.00 0.00 C ATOM 1623 CD1 ILE A 113 9.775 -6.404 9.840 1.00 0.00 C ATOM 0 H ILE A 113 9.133 -5.934 6.408 1.00 0.00 H new ATOM 0 HA ILE A 113 6.583 -7.189 7.127 1.00 0.00 H new ATOM 0 HB ILE A 113 7.672 -7.901 9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.202 -8.315 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.191 -7.008 7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.778 -9.860 8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.232 -9.432 7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.768 -8.966 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.825 -6.203 10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.281 -5.478 9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.293 -6.805 10.731 1.00 0.00 H new ATOM 1635 N GLY A 114 5.932 -5.646 9.056 1.00 0.00 N ATOM 1636 CA GLY A 114 5.436 -4.614 9.956 1.00 0.00 C ATOM 1637 C GLY A 114 4.668 -3.476 9.277 1.00 0.00 C ATOM 1638 O GLY A 114 3.892 -2.786 9.928 1.00 0.00 O ATOM 0 H GLY A 114 5.368 -6.496 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.785 -5.080 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.281 -4.189 10.498 1.00 0.00 H new ATOM 1642 N ARG A 115 4.757 -3.386 7.969 1.00 0.00 N ATOM 1643 CA ARG A 115 4.287 -2.244 7.237 1.00 0.00 C ATOM 1644 C ARG A 115 2.799 -2.105 7.296 1.00 0.00 C ATOM 1645 O ARG A 115 2.033 -3.015 6.903 1.00 0.00 O ATOM 1646 CB ARG A 115 4.765 -2.259 5.739 1.00 0.00 C ATOM 1647 CG ARG A 115 4.175 -3.300 4.750 1.00 0.00 C ATOM 1648 CD ARG A 115 4.424 -4.754 5.136 1.00 0.00 C ATOM 1649 NE ARG A 115 3.601 -5.174 6.272 1.00 0.00 N ATOM 1650 CZ ARG A 115 3.693 -6.316 6.956 1.00 0.00 C ATOM 1651 NH1 ARG A 115 4.535 -7.253 6.607 1.00 0.00 N ATOM 1652 NH2 ARG A 115 2.931 -6.502 7.993 1.00 0.00 N ATOM 0 H ARG A 115 5.163 -4.115 7.382 1.00 0.00 H new ATOM 0 HA ARG A 115 4.729 -1.377 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.568 -1.270 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 115 5.847 -2.393 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 115 3.100 -3.138 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 115 4.598 -3.123 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 115 4.214 -5.396 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 115 5.477 -4.887 5.384 1.00 0.00 H new ATOM 0 HE ARG A 115 2.877 -4.521 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 115 5.139 -7.119 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.588 -8.118 7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.271 -5.778 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.994 -7.372 8.523 1.00 0.00 H new ATOM 1666 N THR A 116 2.395 -1.043 7.878 1.00 0.00 N ATOM 1667 CA THR A 116 1.060 -0.679 7.855 1.00 0.00 C ATOM 1668 C THR A 116 0.808 0.092 6.605 1.00 0.00 C ATOM 1669 O THR A 116 1.595 0.955 6.232 1.00 0.00 O ATOM 1670 CB THR A 116 0.700 0.149 9.068 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.685 1.172 9.236 1.00 0.00 O ATOM 1672 CG2 THR A 116 0.636 -0.729 10.301 1.00 0.00 C ATOM 0 H THR A 116 3.002 -0.402 8.388 1.00 0.00 H new ATOM 0 HA THR A 116 0.438 -1.574 7.877 1.00 0.00 H new ATOM 0 HB THR A 116 -0.280 0.605 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.029 1.442 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.376 -0.121 11.168 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.120 -1.501 10.159 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.606 -1.198 10.465 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.221 -0.269 5.949 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.637 0.398 4.738 1.00 0.00 C ATOM 1682 C LEU A 117 -1.149 1.765 5.018 1.00 0.00 C ATOM 1683 O LEU A 117 -1.832 1.960 6.019 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.738 -0.445 4.017 1.00 0.00 C ATOM 1685 CG LEU A 117 -3.035 -0.833 4.791 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -4.080 0.270 4.761 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.624 -2.115 4.239 1.00 0.00 C ATOM 0 H LEU A 117 -0.822 -1.046 6.224 1.00 0.00 H new ATOM 0 HA LEU A 117 0.234 0.492 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.041 0.106 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.271 -1.369 3.676 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.746 -0.985 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.963 -0.050 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.672 1.171 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.356 0.482 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.528 -2.368 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.870 -1.979 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.898 -2.922 4.341 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.770 2.744 4.201 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.518 3.969 4.324 1.00 0.00 C ATOM 1701 C VAL A 118 -2.137 4.407 2.984 1.00 0.00 C ATOM 1702 O VAL A 118 -1.443 5.077 2.040 1.00 0.00 O ATOM 1703 CB VAL A 118 -0.748 5.104 5.042 1.00 0.00 C ATOM 1704 CG1 VAL A 118 0.522 5.537 4.308 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -1.668 6.273 5.353 1.00 0.00 C ATOM 0 H VAL A 118 -0.020 2.717 3.511 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.350 3.742 4.990 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.399 4.695 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 118 1.011 6.335 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 118 1.199 4.687 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.262 5.898 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.103 7.057 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.084 6.665 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.478 5.936 6.000 1.00 0.00 H new ATOM 1715 N VAL A 119 -3.388 4.023 2.869 1.00 0.00 N ATOM 1716 CA VAL A 119 -4.318 4.270 1.778 1.00 0.00 C ATOM 1717 C VAL A 119 -5.702 4.295 2.410 1.00 0.00 C ATOM 1718 O VAL A 119 -5.806 3.995 3.576 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.283 3.160 0.659 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -2.959 3.152 -0.087 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -4.567 1.776 1.238 1.00 0.00 C ATOM 0 H VAL A 119 -3.828 3.475 3.608 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.048 5.203 1.283 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.071 3.407 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.976 2.373 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.803 4.121 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.148 2.956 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.535 1.034 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.814 1.534 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.554 1.770 1.700 1.00 0.00 H new ATOM 1731 N HIS A 120 -6.703 4.681 1.691 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.104 4.583 2.141 1.00 0.00 C ATOM 1733 C HIS A 120 -8.958 4.883 0.932 1.00 0.00 C ATOM 1734 O HIS A 120 -8.363 5.196 -0.105 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.469 5.464 3.374 1.00 0.00 C ATOM 1736 CG HIS A 120 -8.586 6.926 3.155 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -7.556 7.805 3.361 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -9.652 7.668 2.822 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -7.992 9.030 3.164 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -9.262 8.972 2.841 1.00 0.00 N ATOM 0 H HIS A 120 -6.599 5.082 0.759 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.286 3.578 2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.417 5.106 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.714 5.297 4.143 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -6.604 7.550 3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.638 7.299 2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -7.404 9.931 3.253 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.242 4.735 0.998 1.00 0.00 N ATOM 1750 CA GLU A 121 -11.071 4.965 -0.168 1.00 0.00 C ATOM 1751 C GLU A 121 -11.094 6.486 -0.497 1.00 0.00 C ATOM 1752 O GLU A 121 -11.976 7.219 -0.075 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.513 4.491 0.140 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.639 3.217 1.011 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.534 3.488 2.528 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -11.400 3.701 3.049 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -13.572 3.513 3.210 1.00 0.00 O ATOM 0 H GLU A 121 -10.749 4.457 1.838 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.670 4.414 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.042 5.302 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.025 4.312 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.596 2.738 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.860 2.512 0.722 1.00 0.00 H new ATOM 1764 N LYS A 122 -10.053 6.901 -1.198 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.746 8.234 -1.695 1.00 0.00 C ATOM 1766 C LYS A 122 -8.489 8.063 -2.485 1.00 0.00 C ATOM 1767 O LYS A 122 -7.979 6.939 -2.563 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.560 9.341 -0.614 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.855 9.998 -0.113 1.00 0.00 C ATOM 1770 CD LYS A 122 -10.562 11.135 0.862 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.833 11.747 1.457 1.00 0.00 C ATOM 1772 NZ LYS A 122 -12.703 12.383 0.452 1.00 0.00 N ATOM 0 H LYS A 122 -9.322 6.241 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.597 8.597 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.039 8.907 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.913 10.118 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.422 10.381 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.479 9.250 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -9.931 10.762 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.996 11.912 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.395 10.968 1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -11.554 12.488 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.568 12.732 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.200 13.180 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.956 11.687 -0.278 1.00 0.00 H new ATOM 1786 N ALA A 123 -8.033 9.074 -3.136 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.734 8.988 -3.751 1.00 0.00 C ATOM 1788 C ALA A 123 -5.620 9.041 -2.666 1.00 0.00 C ATOM 1789 O ALA A 123 -5.789 9.663 -1.601 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.542 10.092 -4.784 1.00 0.00 C ATOM 0 H ALA A 123 -8.521 9.961 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.664 8.033 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.553 10.003 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.302 10.000 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.634 11.064 -4.299 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.543 8.330 -2.916 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.333 8.353 -2.071 1.00 0.00 C ATOM 1798 C ASP A 124 -2.189 8.597 -3.016 1.00 0.00 C ATOM 1799 O ASP A 124 -1.874 9.744 -3.317 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.160 6.991 -1.282 1.00 0.00 C ATOM 1801 CG ASP A 124 -1.873 6.817 -0.423 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.718 7.285 0.662 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -0.983 6.009 -0.657 1.00 0.00 O ATOM 0 H ASP A 124 -4.465 7.706 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.388 9.129 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.022 6.871 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.194 6.176 -2.005 1.00 0.00 H new ATOM 1808 N ASP A 125 -1.681 7.495 -3.584 1.00 0.00 N ATOM 1809 CA ASP A 125 -0.675 7.466 -4.668 1.00 0.00 C ATOM 1810 C ASP A 125 0.547 8.311 -4.305 1.00 0.00 C ATOM 1811 O ASP A 125 0.704 8.727 -3.161 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.322 7.969 -5.991 1.00 0.00 C ATOM 1813 CG ASP A 125 -0.621 7.490 -7.255 1.00 0.00 C ATOM 1814 OD1 ASP A 125 0.416 8.055 -7.642 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -1.111 6.532 -7.877 1.00 0.00 O ATOM 0 H ASP A 125 -1.967 6.560 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.335 6.440 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.361 7.642 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -1.331 9.059 -5.986 1.00 0.00 H new ATOM 1820 N LEU A 126 1.475 8.401 -5.194 1.00 0.00 N ATOM 1821 CA LEU A 126 2.518 9.351 -5.056 1.00 0.00 C ATOM 1822 C LEU A 126 2.124 10.598 -5.840 1.00 0.00 C ATOM 1823 O LEU A 126 1.793 11.652 -5.291 1.00 0.00 O ATOM 1824 CB LEU A 126 3.830 8.826 -5.582 1.00 0.00 C ATOM 1825 CG LEU A 126 5.019 9.721 -5.305 1.00 0.00 C ATOM 1826 CD1 LEU A 126 5.409 9.658 -3.841 1.00 0.00 C ATOM 1827 CD2 LEU A 126 6.171 9.381 -6.200 1.00 0.00 C ATOM 0 H LEU A 126 1.531 7.821 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 126 2.655 9.572 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.018 7.847 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.743 8.680 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 126 4.731 10.749 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.265 10.309 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.571 9.987 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.671 8.633 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.011 10.040 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.468 8.346 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.874 9.510 -7.241 1.00 0.00 H new ATOM 1839 N GLY A 127 2.042 10.381 -7.158 1.00 0.00 N ATOM 1840 CA GLY A 127 1.866 11.423 -8.143 1.00 0.00 C ATOM 1841 C GLY A 127 0.514 12.099 -8.139 1.00 0.00 C ATOM 1842 O GLY A 127 0.301 13.056 -8.878 1.00 0.00 O ATOM 0 H GLY A 127 2.099 9.448 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 127 2.633 12.182 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.037 10.997 -9.132 1.00 0.00 H new ATOM 1846 N LYS A 128 -0.398 11.634 -7.339 1.00 0.00 N ATOM 1847 CA LYS A 128 -1.685 12.275 -7.281 1.00 0.00 C ATOM 1848 C LYS A 128 -1.898 12.840 -5.875 1.00 0.00 C ATOM 1849 O LYS A 128 -3.029 13.044 -5.413 1.00 0.00 O ATOM 1850 CB LYS A 128 -2.809 11.313 -7.726 1.00 0.00 C ATOM 1851 CG LYS A 128 -4.133 12.016 -8.050 1.00 0.00 C ATOM 1852 CD LYS A 128 -3.932 13.090 -9.123 1.00 0.00 C ATOM 1853 CE LYS A 128 -5.200 13.860 -9.403 1.00 0.00 C ATOM 1854 NZ LYS A 128 -4.963 14.976 -10.337 1.00 0.00 N ATOM 0 H LYS A 128 -0.283 10.827 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.718 13.107 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.476 10.762 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.981 10.580 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -4.863 11.284 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -4.539 12.470 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -3.153 13.781 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.583 12.621 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -5.949 13.188 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -5.605 14.247 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -5.855 15.482 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -4.266 15.630 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -4.600 14.604 -11.238 1.00 0.00 H new ATOM 1868 N GLY A 129 -0.776 13.135 -5.226 1.00 0.00 N ATOM 1869 CA GLY A 129 -0.780 13.701 -3.899 1.00 0.00 C ATOM 1870 C GLY A 129 -1.428 15.078 -3.834 1.00 0.00 C ATOM 1871 O GLY A 129 -1.936 15.475 -2.790 1.00 0.00 O ATOM 0 H GLY A 129 0.156 12.985 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -1.308 13.026 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.246 13.773 -3.539 1.00 0.00 H new ATOM 1875 N GLY A 130 -1.379 15.823 -4.920 1.00 0.00 N ATOM 1876 CA GLY A 130 -2.065 17.097 -4.955 1.00 0.00 C ATOM 1877 C GLY A 130 -1.158 18.268 -5.246 1.00 0.00 C ATOM 1878 O GLY A 130 -1.055 18.704 -6.381 1.00 0.00 O ATOM 0 H GLY A 130 -0.881 15.574 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.847 17.058 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.558 17.260 -3.997 1.00 0.00 H new ATOM 1882 N ASN A 131 -0.470 18.740 -4.235 1.00 0.00 N ATOM 1883 CA ASN A 131 0.381 19.948 -4.345 1.00 0.00 C ATOM 1884 C ASN A 131 1.806 19.448 -4.533 1.00 0.00 C ATOM 1885 O ASN A 131 2.023 18.242 -4.343 1.00 0.00 O ATOM 1886 CB ASN A 131 0.231 20.762 -3.046 1.00 0.00 C ATOM 1887 CG ASN A 131 0.772 22.199 -3.074 1.00 0.00 C ATOM 1888 OD1 ASN A 131 1.690 22.546 -3.822 1.00 0.00 O ATOM 1889 ND2 ASN A 131 0.208 23.037 -2.233 1.00 0.00 N ATOM 0 H ASN A 131 -0.469 18.315 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 131 0.103 20.594 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -0.827 20.800 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 131 0.736 20.223 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 131 0.527 24.005 -2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -0.549 22.720 -1.627 1.00 0.00 H new ATOM 1896 N GLU A 132 2.784 20.307 -4.879 1.00 0.00 N ATOM 1897 CA GLU A 132 4.122 19.795 -5.186 1.00 0.00 C ATOM 1898 C GLU A 132 4.786 18.913 -4.097 1.00 0.00 C ATOM 1899 O GLU A 132 5.278 17.827 -4.419 1.00 0.00 O ATOM 1900 CB GLU A 132 5.051 20.832 -5.801 1.00 0.00 C ATOM 1901 CG GLU A 132 5.193 22.139 -5.061 1.00 0.00 C ATOM 1902 CD GLU A 132 6.044 23.094 -5.855 1.00 0.00 C ATOM 1903 OE1 GLU A 132 5.654 23.431 -7.010 1.00 0.00 O ATOM 1904 OE2 GLU A 132 7.134 23.471 -5.401 1.00 0.00 O ATOM 0 H GLU A 132 2.676 21.319 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 132 3.926 19.073 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.041 20.387 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 132 4.699 21.049 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.210 22.575 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 132 5.643 21.965 -4.084 1.00 0.00 H new ATOM 1911 N GLU A 133 4.747 19.309 -2.826 1.00 0.00 N ATOM 1912 CA GLU A 133 5.337 18.448 -1.791 1.00 0.00 C ATOM 1913 C GLU A 133 4.422 17.241 -1.513 1.00 0.00 C ATOM 1914 O GLU A 133 4.898 16.120 -1.332 1.00 0.00 O ATOM 1915 CB GLU A 133 5.647 19.193 -0.484 1.00 0.00 C ATOM 1916 CG GLU A 133 6.398 18.328 0.517 1.00 0.00 C ATOM 1917 CD GLU A 133 6.615 18.982 1.850 1.00 0.00 C ATOM 1918 OE1 GLU A 133 7.462 19.886 1.958 1.00 0.00 O ATOM 1919 OE2 GLU A 133 5.985 18.558 2.847 1.00 0.00 O ATOM 0 H GLU A 133 4.334 20.180 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 133 6.293 18.102 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 133 6.239 20.081 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.715 19.536 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 133 5.846 17.400 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 133 7.366 18.059 0.094 1.00 0.00 H new ATOM 1926 N SER A 134 3.111 17.468 -1.529 1.00 0.00 N ATOM 1927 CA SER A 134 2.130 16.411 -1.298 1.00 0.00 C ATOM 1928 C SER A 134 2.257 15.286 -2.346 1.00 0.00 C ATOM 1929 O SER A 134 1.973 14.131 -2.066 1.00 0.00 O ATOM 1930 CB SER A 134 0.719 16.992 -1.320 1.00 0.00 C ATOM 1931 OG SER A 134 0.563 18.005 -0.344 1.00 0.00 O ATOM 0 H SER A 134 2.700 18.385 -1.702 1.00 0.00 H new ATOM 0 HA SER A 134 2.326 15.979 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.507 17.401 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.006 16.198 -1.142 1.00 0.00 H new ATOM 0 HG SER A 134 -0.350 18.359 -0.383 1.00 0.00 H new ATOM 1937 N THR A 135 2.684 15.643 -3.526 1.00 0.00 N ATOM 1938 CA THR A 135 2.859 14.705 -4.616 1.00 0.00 C ATOM 1939 C THR A 135 4.177 13.919 -4.436 1.00 0.00 C ATOM 1940 O THR A 135 4.368 12.845 -4.982 1.00 0.00 O ATOM 1941 CB THR A 135 2.878 15.501 -5.945 1.00 0.00 C ATOM 1942 OG1 THR A 135 1.654 16.262 -6.057 1.00 0.00 O ATOM 1943 CG2 THR A 135 2.998 14.601 -7.158 1.00 0.00 C ATOM 0 H THR A 135 2.925 16.604 -3.767 1.00 0.00 H new ATOM 0 HA THR A 135 2.039 13.987 -4.628 1.00 0.00 H new ATOM 0 HB THR A 135 3.752 16.152 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 135 1.767 17.130 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 135 3.007 15.209 -8.063 1.00 0.00 H new ATOM 0 HG22 THR A 135 3.924 14.029 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 135 2.150 13.917 -7.189 1.00 0.00 H new ATOM 1951 N LYS A 136 5.053 14.460 -3.660 1.00 0.00 N ATOM 1952 CA LYS A 136 6.337 13.871 -3.472 1.00 0.00 C ATOM 1953 C LYS A 136 6.284 12.922 -2.280 1.00 0.00 C ATOM 1954 O LYS A 136 7.011 11.933 -2.220 1.00 0.00 O ATOM 1955 CB LYS A 136 7.333 14.996 -3.237 1.00 0.00 C ATOM 1956 CG LYS A 136 8.779 14.632 -3.438 1.00 0.00 C ATOM 1957 CD LYS A 136 9.644 15.860 -3.240 1.00 0.00 C ATOM 1958 CE LYS A 136 11.056 15.632 -3.714 1.00 0.00 C ATOM 1959 NZ LYS A 136 11.128 15.411 -5.185 1.00 0.00 N ATOM 0 H LYS A 136 4.901 15.323 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 136 6.642 13.295 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.088 15.821 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.207 15.363 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.070 13.853 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.927 14.228 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.210 16.701 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.654 16.131 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.670 16.492 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 136 11.476 14.768 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.096 15.595 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.869 14.427 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.469 16.057 -5.666 1.00 0.00 H new ATOM 1973 N THR A 137 5.478 13.273 -1.335 1.00 0.00 N ATOM 1974 CA THR A 137 5.317 12.474 -0.186 1.00 0.00 C ATOM 1975 C THR A 137 4.273 11.394 -0.432 1.00 0.00 C ATOM 1976 O THR A 137 4.363 10.299 0.141 1.00 0.00 O ATOM 1977 CB THR A 137 4.963 13.333 1.066 1.00 0.00 C ATOM 1978 OG1 THR A 137 4.891 12.512 2.235 1.00 0.00 O ATOM 1979 CG2 THR A 137 3.649 14.071 0.909 1.00 0.00 C ATOM 0 H THR A 137 4.916 14.124 -1.345 1.00 0.00 H new ATOM 0 HA THR A 137 6.270 11.987 0.022 1.00 0.00 H new ATOM 0 HB THR A 137 5.760 14.069 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.753 12.068 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 137 3.449 14.654 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.707 14.739 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.844 13.352 0.756 1.00 0.00 H new ATOM 1987 N GLY A 138 3.298 11.683 -1.279 1.00 0.00 N ATOM 1988 CA GLY A 138 2.265 10.733 -1.508 1.00 0.00 C ATOM 1989 C GLY A 138 1.211 10.902 -0.468 1.00 0.00 C ATOM 1990 O GLY A 138 1.105 10.090 0.472 1.00 0.00 O ATOM 0 H GLY A 138 3.215 12.555 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.839 10.872 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 138 2.669 9.721 -1.473 1.00 0.00 H new ATOM 1994 N ASN A 139 0.432 11.966 -0.646 1.00 0.00 N ATOM 1995 CA ASN A 139 -0.611 12.427 0.294 1.00 0.00 C ATOM 1996 C ASN A 139 -1.502 11.295 0.759 1.00 0.00 C ATOM 1997 O ASN A 139 -2.183 10.644 -0.042 1.00 0.00 O ATOM 1998 CB ASN A 139 -1.437 13.540 -0.349 1.00 0.00 C ATOM 1999 CG ASN A 139 -2.603 14.041 0.492 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -2.571 14.030 1.730 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -3.632 14.498 -0.168 1.00 0.00 N ATOM 0 H ASN A 139 0.504 12.558 -1.474 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.111 12.818 1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -0.779 14.381 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -1.824 13.181 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -4.441 14.860 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -3.627 14.493 -1.188 1.00 0.00 H new ATOM 2008 N ALA A 140 -1.505 11.084 2.049 1.00 0.00 N ATOM 2009 CA ALA A 140 -2.172 9.973 2.630 1.00 0.00 C ATOM 2010 C ALA A 140 -3.021 10.378 3.813 1.00 0.00 C ATOM 2011 O ALA A 140 -2.601 11.213 4.626 1.00 0.00 O ATOM 2012 CB ALA A 140 -1.125 8.983 3.093 1.00 0.00 C ATOM 0 H ALA A 140 -1.037 11.690 2.723 1.00 0.00 H new ATOM 0 HA ALA A 140 -2.833 9.536 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -1.615 8.120 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.529 8.658 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.476 9.457 3.829 1.00 0.00 H new ATOM 2018 N GLY A 141 -4.222 9.814 3.888 1.00 0.00 N ATOM 2019 CA GLY A 141 -5.057 9.956 5.070 1.00 0.00 C ATOM 2020 C GLY A 141 -4.459 9.104 6.153 1.00 0.00 C ATOM 2021 O GLY A 141 -4.831 7.940 6.312 1.00 0.00 O ATOM 0 H GLY A 141 -4.637 9.255 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -5.102 10.999 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.079 9.643 4.857 1.00 0.00 H new ATOM 2025 N SER A 142 -3.575 9.721 6.883 1.00 0.00 N ATOM 2026 CA SER A 142 -2.619 9.120 7.779 1.00 0.00 C ATOM 2027 C SER A 142 -3.112 8.046 8.754 1.00 0.00 C ATOM 2028 O SER A 142 -2.356 7.168 9.065 1.00 0.00 O ATOM 2029 CB SER A 142 -1.885 10.230 8.496 1.00 0.00 C ATOM 2030 OG SER A 142 -1.488 11.236 7.551 1.00 0.00 O ATOM 0 H SER A 142 -3.495 10.738 6.868 1.00 0.00 H new ATOM 0 HA SER A 142 -1.964 8.530 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.526 10.668 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.009 9.830 9.006 1.00 0.00 H new ATOM 0 HG SER A 142 -1.014 11.955 8.019 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.279 8.116 9.249 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.660 7.047 10.119 1.00 0.00 C ATOM 2038 C ARG A 143 -6.008 6.564 9.757 1.00 0.00 C ATOM 2039 O ARG A 143 -6.605 5.770 10.488 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.573 7.427 11.637 1.00 0.00 C ATOM 2041 CG ARG A 143 -5.713 8.288 12.215 1.00 0.00 C ATOM 2042 CD ARG A 143 -5.780 9.695 11.649 1.00 0.00 C ATOM 2043 NE ARG A 143 -6.935 10.421 12.193 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.172 11.731 12.065 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -6.344 12.497 11.368 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -8.260 12.264 12.616 1.00 0.00 N ATOM 0 H ARG A 143 -4.967 8.852 9.090 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.941 6.240 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.522 6.504 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.634 7.957 11.799 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.663 7.787 12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.594 8.349 13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.862 10.232 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.851 9.652 10.562 1.00 0.00 H new ATOM 0 HE ARG A 143 -7.620 9.876 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.521 12.088 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.530 13.495 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -8.911 11.674 13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.443 13.263 12.520 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.516 7.013 8.647 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.875 6.704 8.307 1.00 0.00 C ATOM 2062 C LEU A 144 -8.047 5.266 7.925 1.00 0.00 C ATOM 2063 O LEU A 144 -9.163 4.755 7.952 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.482 7.651 7.252 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.837 9.081 7.725 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -7.607 9.919 8.024 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -9.731 9.774 6.719 1.00 0.00 C ATOM 0 H LEU A 144 -6.017 7.588 7.968 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.446 6.874 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.780 7.731 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.387 7.188 6.859 1.00 0.00 H new ATOM 0 HG LEU A 144 -9.382 8.977 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.914 10.912 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -7.024 9.441 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -6.998 10.006 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.967 10.778 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.217 9.839 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.653 9.205 6.599 1.00 0.00 H new ATOM 2079 N ALA A 145 -6.969 4.595 7.632 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.012 3.228 7.251 1.00 0.00 C ATOM 2081 C ALA A 145 -5.632 2.710 7.221 1.00 0.00 C ATOM 2082 O ALA A 145 -4.860 3.019 6.315 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.678 3.028 5.902 1.00 0.00 C ATOM 0 H ALA A 145 -6.030 4.994 7.654 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.612 2.683 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.687 1.967 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.702 3.400 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.124 3.574 5.138 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.285 2.001 8.232 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.003 1.425 8.291 1.00 0.00 C ATOM 2091 C CYS A 146 -4.153 0.032 8.768 1.00 0.00 C ATOM 2092 O CYS A 146 -5.064 -0.273 9.546 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.110 2.178 9.240 1.00 0.00 C ATOM 2094 SG CYS A 146 -3.069 3.987 9.005 1.00 0.00 S ATOM 0 H CYS A 146 -5.882 1.807 9.036 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.547 1.459 7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.433 1.968 10.260 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -2.095 1.792 9.141 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.310 -0.804 8.301 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.340 -2.146 8.685 1.00 0.00 C ATOM 2101 C GLY A 147 -2.062 -2.793 8.362 1.00 0.00 C ATOM 2102 O GLY A 147 -1.381 -2.378 7.422 1.00 0.00 O ATOM 0 H GLY A 147 -2.575 -0.567 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.534 -2.222 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -4.155 -2.660 8.176 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.708 -3.756 9.140 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.527 -4.552 8.925 1.00 0.00 C ATOM 2108 C VAL A 148 -0.733 -5.416 7.683 1.00 0.00 C ATOM 2109 O VAL A 148 -1.539 -6.346 7.685 1.00 0.00 O ATOM 2110 CB VAL A 148 -0.225 -5.383 10.223 1.00 0.00 C ATOM 2111 CG1 VAL A 148 0.558 -6.653 9.961 1.00 0.00 C ATOM 2112 CG2 VAL A 148 0.562 -4.511 11.188 1.00 0.00 C ATOM 0 H VAL A 148 -2.239 -4.027 9.968 1.00 0.00 H new ATOM 0 HA VAL A 148 0.348 -3.930 8.739 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.186 -5.685 10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 148 0.730 -7.175 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -0.007 -7.297 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.516 -6.402 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.779 -5.076 12.095 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.497 -4.203 10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.025 -3.628 11.442 1.00 0.00 H new ATOM 2122 N ILE A 149 -0.087 -5.021 6.588 1.00 0.00 N ATOM 2123 CA ILE A 149 -0.287 -5.739 5.311 1.00 0.00 C ATOM 2124 C ILE A 149 1.010 -6.260 4.716 1.00 0.00 C ATOM 2125 O ILE A 149 1.780 -5.523 4.121 1.00 0.00 O ATOM 2126 CB ILE A 149 -1.007 -4.830 4.302 1.00 0.00 C ATOM 2127 CG1 ILE A 149 -1.098 -5.441 2.893 1.00 0.00 C ATOM 2128 CG2 ILE A 149 -0.337 -3.494 4.258 1.00 0.00 C ATOM 2129 CD1 ILE A 149 -1.892 -4.585 1.923 1.00 0.00 C ATOM 0 H ILE A 149 0.561 -4.235 6.547 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.905 -6.610 5.530 1.00 0.00 H new ATOM 0 HB ILE A 149 -2.034 -4.716 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -0.091 -5.586 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -1.559 -6.427 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.851 -2.853 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.374 -3.036 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.702 -3.618 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -1.919 -5.070 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -2.909 -4.461 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -1.419 -3.608 1.829 1.00 0.00 H new ATOM 2141 N GLY A 150 1.251 -7.498 4.875 1.00 0.00 N ATOM 2142 CA GLY A 150 2.452 -8.068 4.375 1.00 0.00 C ATOM 2143 C GLY A 150 2.483 -9.465 4.774 1.00 0.00 C ATOM 2144 O GLY A 150 1.432 -9.985 5.185 1.00 0.00 O ATOM 0 H GLY A 150 0.630 -8.152 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 150 2.493 -7.980 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.319 -7.539 4.770 1.00 0.00 H new ATOM 2148 N ILE A 151 3.620 -10.120 4.642 1.00 0.00 N ATOM 2149 CA ILE A 151 3.708 -11.476 5.109 1.00 0.00 C ATOM 2150 C ILE A 151 3.464 -11.485 6.615 1.00 0.00 C ATOM 2151 O ILE A 151 4.295 -11.033 7.414 1.00 0.00 O ATOM 2152 CB ILE A 151 5.065 -12.159 4.747 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.153 -13.555 5.401 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.275 -11.278 5.100 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.434 -14.297 5.120 1.00 0.00 C ATOM 0 H ILE A 151 4.471 -9.742 4.226 1.00 0.00 H new ATOM 0 HA ILE A 151 2.945 -12.066 4.602 1.00 0.00 H new ATOM 0 HB ILE A 151 5.096 -12.289 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.041 -13.445 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.315 -14.159 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.194 -11.797 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.214 -10.338 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.276 -11.073 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.410 -15.266 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.541 -14.443 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 151 7.279 -13.719 5.494 1.00 0.00 H new ATOM 2167 N ALA A 152 2.297 -11.907 6.991 1.00 0.00 N ATOM 2168 CA ALA A 152 1.973 -11.942 8.382 1.00 0.00 C ATOM 2169 C ALA A 152 2.048 -13.338 8.898 1.00 0.00 C ATOM 2170 O ALA A 152 1.167 -14.169 8.647 1.00 0.00 O ATOM 2171 CB ALA A 152 0.630 -11.302 8.677 1.00 0.00 C ATOM 0 H ALA A 152 1.561 -12.229 6.362 1.00 0.00 H new ATOM 0 HA ALA A 152 2.715 -11.344 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.430 -11.354 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 152 0.647 -10.259 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.153 -11.833 8.135 1.00 0.00 H new ATOM 2177 N GLN A 153 3.107 -13.607 9.563 1.00 0.00 N ATOM 2178 CA GLN A 153 3.340 -14.879 10.146 1.00 0.00 C ATOM 2179 C GLN A 153 3.348 -14.714 11.647 1.00 0.00 C ATOM 2180 O GLN A 153 4.209 -13.991 12.169 1.00 0.00 O ATOM 2181 CB GLN A 153 4.619 -15.526 9.571 1.00 0.00 C ATOM 2182 CG GLN A 153 5.889 -14.690 9.681 1.00 0.00 C ATOM 2183 CD GLN A 153 7.033 -15.260 8.873 1.00 0.00 C ATOM 2184 OE1 GLN A 153 7.126 -16.473 8.660 1.00 0.00 O ATOM 2185 NE2 GLN A 153 7.906 -14.407 8.418 1.00 0.00 N ATOM 2186 OXT GLN A 153 2.417 -15.225 12.302 1.00 0.00 O ATOM 0 H GLN A 153 3.857 -12.934 9.723 1.00 0.00 H new ATOM 0 HA GLN A 153 2.543 -15.578 9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 153 4.785 -16.475 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 153 4.447 -15.755 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 153 5.681 -13.675 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.186 -14.624 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 153 7.797 -13.412 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 153 8.699 -14.734 7.866 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.604 6.153 0.894 1.00 0.00 CU