USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.518 K(o=-0.52,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -158:sc= 1.25 USER MOD Single : A 3 SER OG : rot 9:sc= 1.26 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -136:sc= 1.23 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.012 (180deg=0) USER MOD Single : A 19 MET CE :methyl -122:sc= 0 (180deg=-0.628) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc=-0.00188 (180deg=-0.462) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -14:sc= 0.369 USER MOD Single : A 52 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.16) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.142 K(o=0.14,f=-0.7) USER MOD Single : A 91 SER OG : rot 161:sc= 0.289 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.853 7.488 -15.822 1.00 0.00 N ATOM 2 CA GLY A 1 -0.330 6.232 -15.276 1.00 0.00 C ATOM 3 C GLY A 1 -1.019 5.944 -13.965 1.00 0.00 C ATOM 4 O GLY A 1 -0.885 6.747 -13.038 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.384 7.695 -16.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.878 7.400 -15.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.669 8.261 -15.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.500 5.416 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.747 6.305 -15.127 1.00 0.00 H new ATOM 8 N SER A 2 -1.769 4.840 -13.910 1.00 0.00 N ATOM 9 CA SER A 2 -2.763 4.514 -12.893 1.00 0.00 C ATOM 10 C SER A 2 -3.907 5.547 -12.902 1.00 0.00 C ATOM 11 O SER A 2 -3.791 6.601 -13.536 1.00 0.00 O ATOM 12 CB SER A 2 -2.076 4.312 -11.531 1.00 0.00 C ATOM 13 OG SER A 2 -1.009 3.379 -11.652 1.00 0.00 O ATOM 0 H SER A 2 -1.691 4.109 -14.617 1.00 0.00 H new ATOM 0 HA SER A 2 -3.244 3.563 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.696 5.265 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.801 3.954 -10.800 1.00 0.00 H new ATOM 0 HG SER A 2 -0.805 2.999 -10.772 1.00 0.00 H new ATOM 19 N SER A 3 -5.042 5.235 -12.274 1.00 0.00 N ATOM 20 CA SER A 3 -6.206 6.107 -12.067 1.00 0.00 C ATOM 21 C SER A 3 -7.147 5.423 -11.071 1.00 0.00 C ATOM 22 O SER A 3 -7.520 6.022 -10.058 1.00 0.00 O ATOM 23 CB SER A 3 -6.972 6.368 -13.378 1.00 0.00 C ATOM 24 OG SER A 3 -6.219 7.178 -14.262 1.00 0.00 O ATOM 0 H SER A 3 -5.185 4.309 -11.870 1.00 0.00 H new ATOM 0 HA SER A 3 -5.854 7.067 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.205 5.419 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.922 6.854 -13.156 1.00 0.00 H new ATOM 0 HG SER A 3 -5.308 7.281 -13.916 1.00 0.00 H new ATOM 30 N GLY A 4 -7.502 4.170 -11.371 1.00 0.00 N ATOM 31 CA GLY A 4 -8.351 3.323 -10.560 1.00 0.00 C ATOM 32 C GLY A 4 -8.052 1.869 -10.906 1.00 0.00 C ATOM 33 O GLY A 4 -7.047 1.311 -10.452 1.00 0.00 O ATOM 0 H GLY A 4 -7.187 3.708 -12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.169 3.506 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.401 3.549 -10.746 1.00 0.00 H new ATOM 37 N SER A 5 -8.877 1.271 -11.770 1.00 0.00 N ATOM 38 CA SER A 5 -8.886 -0.171 -12.016 1.00 0.00 C ATOM 39 C SER A 5 -9.122 -0.917 -10.694 1.00 0.00 C ATOM 40 O SER A 5 -8.337 -1.777 -10.278 1.00 0.00 O ATOM 41 CB SER A 5 -7.631 -0.615 -12.789 1.00 0.00 C ATOM 42 OG SER A 5 -7.391 0.242 -13.890 1.00 0.00 O ATOM 0 H SER A 5 -9.565 1.782 -12.324 1.00 0.00 H new ATOM 0 HA SER A 5 -9.717 -0.434 -12.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.768 -0.611 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.758 -1.639 -13.140 1.00 0.00 H new ATOM 0 HG SER A 5 -6.589 -0.056 -14.367 1.00 0.00 H new ATOM 48 N SER A 6 -10.181 -0.525 -9.981 1.00 0.00 N ATOM 49 CA SER A 6 -10.738 -1.277 -8.866 1.00 0.00 C ATOM 50 C SER A 6 -11.447 -2.486 -9.474 1.00 0.00 C ATOM 51 O SER A 6 -12.270 -2.313 -10.375 1.00 0.00 O ATOM 52 CB SER A 6 -11.673 -0.376 -8.049 1.00 0.00 C ATOM 53 OG SER A 6 -10.972 0.799 -7.671 1.00 0.00 O ATOM 0 H SER A 6 -10.682 0.343 -10.171 1.00 0.00 H new ATOM 0 HA SER A 6 -9.975 -1.622 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.553 -0.116 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.026 -0.905 -7.164 1.00 0.00 H new ATOM 0 HG SER A 6 -11.161 1.005 -6.732 1.00 0.00 H new ATOM 59 N GLY A 7 -11.052 -3.684 -9.055 1.00 0.00 N ATOM 60 CA GLY A 7 -11.309 -4.917 -9.769 1.00 0.00 C ATOM 61 C GLY A 7 -10.068 -5.244 -10.585 1.00 0.00 C ATOM 62 O GLY A 7 -9.923 -4.745 -11.697 1.00 0.00 O ATOM 0 H GLY A 7 -10.532 -3.821 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.532 -5.724 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.177 -4.809 -10.419 1.00 0.00 H new ATOM 66 N GLU A 8 -9.188 -6.070 -10.016 1.00 0.00 N ATOM 67 CA GLU A 8 -8.051 -6.743 -10.643 1.00 0.00 C ATOM 68 C GLU A 8 -6.885 -5.788 -10.927 1.00 0.00 C ATOM 69 O GLU A 8 -6.731 -5.269 -12.035 1.00 0.00 O ATOM 70 CB GLU A 8 -8.484 -7.571 -11.875 1.00 0.00 C ATOM 71 CG GLU A 8 -9.152 -8.910 -11.533 1.00 0.00 C ATOM 72 CD GLU A 8 -10.227 -8.796 -10.449 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.369 -8.407 -10.783 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.928 -9.111 -9.270 1.00 0.00 O ATOM 0 H GLU A 8 -9.259 -6.304 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.662 -7.459 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.174 -6.976 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.608 -7.763 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.600 -9.325 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.388 -9.615 -11.204 1.00 0.00 H new ATOM 81 N TYR A 9 -6.012 -5.641 -9.924 1.00 0.00 N ATOM 82 CA TYR A 9 -4.691 -5.008 -10.006 1.00 0.00 C ATOM 83 C TYR A 9 -3.840 -5.629 -11.117 1.00 0.00 C ATOM 84 O TYR A 9 -4.124 -6.735 -11.583 1.00 0.00 O ATOM 85 CB TYR A 9 -3.941 -5.201 -8.673 1.00 0.00 C ATOM 86 CG TYR A 9 -4.805 -5.007 -7.440 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.008 -3.718 -6.923 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.446 -6.115 -6.845 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.856 -3.537 -5.818 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.292 -5.938 -5.738 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.506 -4.641 -5.224 1.00 0.00 C ATOM 92 OH TYR A 9 -7.324 -4.450 -4.158 1.00 0.00 O ATOM 0 H TYR A 9 -6.219 -5.978 -8.984 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.847 -3.951 -10.220 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.515 -6.204 -8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.107 -4.500 -8.633 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.514 -2.869 -7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.285 -7.106 -7.244 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.012 -2.545 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.776 -6.789 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.693 -5.311 -3.870 1.00 0.00 H new ATOM 102 N LYS A 10 -2.738 -4.978 -11.481 1.00 0.00 N ATOM 103 CA LYS A 10 -1.706 -5.540 -12.351 1.00 0.00 C ATOM 104 C LYS A 10 -0.353 -4.972 -11.941 1.00 0.00 C ATOM 105 O LYS A 10 -0.303 -4.033 -11.144 1.00 0.00 O ATOM 106 CB LYS A 10 -2.035 -5.269 -13.830 1.00 0.00 C ATOM 107 CG LYS A 10 -2.601 -3.864 -14.098 1.00 0.00 C ATOM 108 CD LYS A 10 -2.672 -3.567 -15.597 1.00 0.00 C ATOM 109 CE LYS A 10 -1.387 -2.873 -16.057 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.287 -2.773 -17.526 1.00 0.00 N ATOM 0 H LYS A 10 -2.533 -4.027 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.669 -6.624 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.131 -5.404 -14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.756 -6.011 -14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.597 -3.782 -13.662 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.975 -3.118 -13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.813 -4.494 -16.153 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.533 -2.933 -15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.345 -1.873 -15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.526 -3.422 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.399 -2.296 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.299 -3.727 -17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.092 -2.226 -17.892 1.00 0.00 H new ATOM 124 N ALA A 11 0.732 -5.551 -12.460 1.00 0.00 N ATOM 125 CA ALA A 11 2.078 -5.116 -12.122 1.00 0.00 C ATOM 126 C ALA A 11 2.287 -3.650 -12.486 1.00 0.00 C ATOM 127 O ALA A 11 1.930 -3.220 -13.591 1.00 0.00 O ATOM 128 CB ALA A 11 3.117 -5.992 -12.810 1.00 0.00 C ATOM 0 H ALA A 11 0.698 -6.328 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 11 2.202 -5.218 -11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.117 -5.649 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.991 -7.026 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.988 -5.929 -13.891 1.00 0.00 H new ATOM 134 N GLY A 12 2.911 -2.919 -11.563 1.00 0.00 N ATOM 135 CA GLY A 12 3.191 -1.506 -11.711 1.00 0.00 C ATOM 136 C GLY A 12 2.140 -0.637 -11.036 1.00 0.00 C ATOM 137 O GLY A 12 1.851 0.438 -11.569 1.00 0.00 O ATOM 0 H GLY A 12 3.239 -3.307 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.170 -1.285 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.240 -1.256 -12.771 1.00 0.00 H new ATOM 141 N ASP A 13 1.583 -1.054 -9.894 1.00 0.00 N ATOM 142 CA ASP A 13 0.684 -0.221 -9.090 1.00 0.00 C ATOM 143 C ASP A 13 1.019 -0.324 -7.605 1.00 0.00 C ATOM 144 O ASP A 13 1.868 -1.122 -7.211 1.00 0.00 O ATOM 145 CB ASP A 13 -0.802 -0.551 -9.358 1.00 0.00 C ATOM 146 CG ASP A 13 -1.578 0.682 -9.850 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.202 1.830 -9.527 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.533 0.515 -10.648 1.00 0.00 O ATOM 0 H ASP A 13 1.744 -1.981 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 13 0.841 0.813 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.870 -1.345 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.261 -0.930 -8.445 1.00 0.00 H new ATOM 153 N LEU A 14 0.372 0.498 -6.777 1.00 0.00 N ATOM 154 CA LEU A 14 0.648 0.646 -5.344 1.00 0.00 C ATOM 155 C LEU A 14 -0.589 0.223 -4.571 1.00 0.00 C ATOM 156 O LEU A 14 -1.692 0.506 -5.047 1.00 0.00 O ATOM 157 CB LEU A 14 1.007 2.108 -5.020 1.00 0.00 C ATOM 158 CG LEU A 14 2.138 2.689 -5.887 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.426 4.113 -5.427 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.416 1.854 -5.789 1.00 0.00 C ATOM 0 H LEU A 14 -0.386 1.101 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 14 1.494 0.019 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.117 2.725 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.298 2.175 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 14 1.814 2.677 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.226 4.537 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.527 4.720 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.731 4.103 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.190 2.298 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.757 1.830 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.214 0.838 -6.128 1.00 0.00 H new ATOM 172 N VAL A 15 -0.433 -0.446 -3.423 1.00 0.00 N ATOM 173 CA VAL A 15 -1.513 -1.166 -2.739 1.00 0.00 C ATOM 174 C VAL A 15 -1.253 -1.290 -1.217 1.00 0.00 C ATOM 175 O VAL A 15 -0.155 -0.977 -0.752 1.00 0.00 O ATOM 176 CB VAL A 15 -1.686 -2.537 -3.433 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.213 -2.392 -4.879 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.375 -3.348 -3.442 1.00 0.00 C ATOM 0 H VAL A 15 0.461 -0.503 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.445 -0.606 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.427 -3.079 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.319 -3.379 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.182 -1.893 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.509 -1.801 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.542 -4.304 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.394 -2.790 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.049 -3.524 -2.417 1.00 0.00 H new ATOM 188 N PHE A 16 -2.238 -1.763 -0.432 1.00 0.00 N ATOM 189 CA PHE A 16 -2.065 -2.132 0.982 1.00 0.00 C ATOM 190 C PHE A 16 -2.282 -3.629 1.205 1.00 0.00 C ATOM 191 O PHE A 16 -3.397 -4.142 1.040 1.00 0.00 O ATOM 192 CB PHE A 16 -2.991 -1.348 1.922 1.00 0.00 C ATOM 193 CG PHE A 16 -2.705 0.132 1.979 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.701 0.630 2.831 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.445 1.010 1.171 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.442 2.008 2.876 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.186 2.386 1.224 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.187 2.890 2.075 1.00 0.00 C ATOM 0 H PHE A 16 -3.191 -1.901 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.034 -1.872 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.023 -1.495 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.906 -1.762 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.131 -0.048 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.210 0.627 0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.670 2.391 3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.757 3.064 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.993 3.952 2.113 1.00 0.00 H new ATOM 208 N ALA A 17 -1.231 -4.314 1.656 1.00 0.00 N ATOM 209 CA ALA A 17 -1.250 -5.732 1.994 1.00 0.00 C ATOM 210 C ALA A 17 -1.549 -5.924 3.488 1.00 0.00 C ATOM 211 O ALA A 17 -1.419 -4.974 4.262 1.00 0.00 O ATOM 212 CB ALA A 17 0.105 -6.320 1.600 1.00 0.00 C ATOM 0 H ALA A 17 -0.318 -3.883 1.799 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.040 -6.251 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.124 -7.383 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.262 -6.187 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.897 -5.810 2.149 1.00 0.00 H new ATOM 218 N LYS A 18 -1.927 -7.134 3.928 1.00 0.00 N ATOM 219 CA LYS A 18 -2.245 -7.385 5.338 1.00 0.00 C ATOM 220 C LYS A 18 -1.869 -8.805 5.722 1.00 0.00 C ATOM 221 O LYS A 18 -2.543 -9.749 5.320 1.00 0.00 O ATOM 222 CB LYS A 18 -3.737 -7.119 5.571 1.00 0.00 C ATOM 223 CG LYS A 18 -4.134 -7.084 7.056 1.00 0.00 C ATOM 224 CD LYS A 18 -3.763 -5.732 7.688 1.00 0.00 C ATOM 225 CE LYS A 18 -4.798 -5.232 8.697 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.810 -6.017 9.941 1.00 0.00 N ATOM 0 H LYS A 18 -2.019 -7.952 3.326 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.666 -6.713 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.004 -6.168 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.318 -7.891 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.206 -7.255 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.632 -7.891 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.797 -5.824 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.647 -4.989 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.592 -4.188 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.788 -5.266 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.258 -5.461 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.347 -6.895 9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.834 -6.250 10.214 1.00 0.00 H new ATOM 240 N MET A 19 -0.796 -8.951 6.493 1.00 0.00 N ATOM 241 CA MET A 19 -0.395 -10.226 7.082 1.00 0.00 C ATOM 242 C MET A 19 -1.168 -10.469 8.386 1.00 0.00 C ATOM 243 O MET A 19 -1.862 -9.588 8.909 1.00 0.00 O ATOM 244 CB MET A 19 1.135 -10.259 7.260 1.00 0.00 C ATOM 245 CG MET A 19 1.837 -10.612 5.942 1.00 0.00 C ATOM 246 SD MET A 19 3.626 -10.874 6.114 1.00 0.00 S ATOM 247 CE MET A 19 4.227 -9.177 6.331 1.00 0.00 C ATOM 0 H MET A 19 -0.173 -8.179 6.730 1.00 0.00 H new ATOM 0 HA MET A 19 -0.650 -11.049 6.415 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.484 -9.289 7.613 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.400 -10.990 8.024 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.385 -11.514 5.530 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.664 -9.812 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.952 -8.945 5.551 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.389 -8.483 6.265 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.702 -9.081 7.308 1.00 0.00 H new ATOM 257 N LYS A 20 -1.089 -11.697 8.903 1.00 0.00 N ATOM 258 CA LYS A 20 -1.838 -12.165 10.063 1.00 0.00 C ATOM 259 C LYS A 20 -1.135 -11.699 11.334 1.00 0.00 C ATOM 260 O LYS A 20 -0.319 -12.428 11.902 1.00 0.00 O ATOM 261 CB LYS A 20 -1.972 -13.692 9.974 1.00 0.00 C ATOM 262 CG LYS A 20 -3.033 -14.281 10.917 1.00 0.00 C ATOM 263 CD LYS A 20 -4.295 -14.661 10.130 1.00 0.00 C ATOM 264 CE LYS A 20 -5.299 -15.400 11.018 1.00 0.00 C ATOM 265 NZ LYS A 20 -6.448 -15.872 10.221 1.00 0.00 N ATOM 0 H LYS A 20 -0.480 -12.415 8.510 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.845 -11.748 10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.220 -13.966 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.007 -14.145 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.633 -15.160 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.284 -13.556 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.758 -13.762 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.023 -15.290 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.811 -16.247 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.647 -14.738 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.118 -16.371 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.923 -15.058 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.113 -16.520 9.480 1.00 0.00 H new ATOM 279 N GLY A 21 -1.407 -10.463 11.745 1.00 0.00 N ATOM 280 CA GLY A 21 -0.794 -9.809 12.892 1.00 0.00 C ATOM 281 C GLY A 21 -0.449 -8.365 12.540 1.00 0.00 C ATOM 282 O GLY A 21 -0.940 -7.440 13.196 1.00 0.00 O ATOM 0 H GLY A 21 -2.086 -9.870 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.475 -9.833 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.107 -10.346 13.190 1.00 0.00 H new ATOM 286 N TYR A 22 0.345 -8.151 11.490 1.00 0.00 N ATOM 287 CA TYR A 22 0.776 -6.837 11.004 1.00 0.00 C ATOM 288 C TYR A 22 -0.395 -5.943 10.549 1.00 0.00 C ATOM 289 O TYR A 22 -1.501 -6.431 10.298 1.00 0.00 O ATOM 290 CB TYR A 22 1.804 -7.037 9.875 1.00 0.00 C ATOM 291 CG TYR A 22 3.193 -7.390 10.374 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.909 -6.480 11.175 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.777 -8.627 10.045 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.177 -6.817 11.672 1.00 0.00 C ATOM 295 CE2 TYR A 22 5.047 -8.972 10.539 1.00 0.00 C ATOM 296 CZ TYR A 22 5.752 -8.067 11.370 1.00 0.00 C ATOM 297 OH TYR A 22 6.949 -8.388 11.927 1.00 0.00 O ATOM 0 H TYR A 22 0.721 -8.918 10.932 1.00 0.00 H new ATOM 0 HA TYR A 22 1.237 -6.304 11.836 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.453 -7.828 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.861 -6.125 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.480 -5.517 11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.245 -9.317 9.407 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.716 -6.114 12.290 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.485 -9.926 10.285 1.00 0.00 H new ATOM 0 HH TYR A 22 7.220 -9.281 11.628 1.00 0.00 H new ATOM 307 N PRO A 23 -0.172 -4.616 10.499 1.00 0.00 N ATOM 308 CA PRO A 23 -1.130 -3.615 10.028 1.00 0.00 C ATOM 309 C PRO A 23 -1.171 -3.566 8.493 1.00 0.00 C ATOM 310 O PRO A 23 -0.406 -4.275 7.838 1.00 0.00 O ATOM 311 CB PRO A 23 -0.638 -2.299 10.639 1.00 0.00 C ATOM 312 CG PRO A 23 0.875 -2.490 10.709 1.00 0.00 C ATOM 313 CD PRO A 23 1.049 -3.971 10.954 1.00 0.00 C ATOM 0 HA PRO A 23 -2.154 -3.838 10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.907 -1.443 10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.068 -2.128 11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.359 -2.180 9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.315 -1.899 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.914 -4.354 10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.221 -4.171 12.012 1.00 0.00 H new ATOM 321 N HIS A 24 -2.067 -2.749 7.925 1.00 0.00 N ATOM 322 CA HIS A 24 -2.240 -2.565 6.480 1.00 0.00 C ATOM 323 C HIS A 24 -0.955 -1.952 5.920 1.00 0.00 C ATOM 324 O HIS A 24 -0.719 -0.755 6.071 1.00 0.00 O ATOM 325 CB HIS A 24 -3.467 -1.669 6.179 1.00 0.00 C ATOM 326 CG HIS A 24 -4.674 -1.925 7.050 1.00 0.00 C ATOM 327 ND1 HIS A 24 -4.894 -1.366 8.290 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.758 -2.702 6.748 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.061 -1.845 8.749 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.612 -2.690 7.862 1.00 0.00 N ATOM 0 H HIS A 24 -2.711 -2.181 8.476 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.427 -3.527 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.172 -0.626 6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.754 -1.810 5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.927 -3.229 5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.498 -1.586 9.702 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.478 -3.217 7.975 1.00 0.00 H new ATOM 338 N TRP A 25 -0.073 -2.783 5.377 1.00 0.00 N ATOM 339 CA TRP A 25 1.295 -2.400 5.094 1.00 0.00 C ATOM 340 C TRP A 25 1.372 -1.816 3.679 1.00 0.00 C ATOM 341 O TRP A 25 0.786 -2.405 2.765 1.00 0.00 O ATOM 342 CB TRP A 25 2.216 -3.612 5.282 1.00 0.00 C ATOM 343 CG TRP A 25 3.631 -3.227 5.571 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.555 -2.818 4.672 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.265 -3.103 6.874 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.679 -2.364 5.331 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.537 -2.487 6.698 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.872 -3.425 8.191 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.347 -2.146 7.787 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.693 -3.116 9.291 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.918 -2.457 9.086 1.00 0.00 C ATOM 0 H TRP A 25 -0.293 -3.746 5.121 1.00 0.00 H new ATOM 0 HA TRP A 25 1.631 -1.629 5.787 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.838 -4.226 6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.188 -4.226 4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.432 -2.843 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.506 -1.987 4.868 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.925 -3.917 8.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.293 -1.649 7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.383 -3.384 10.290 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.532 -2.189 9.933 1.00 0.00 H new ATOM 362 N PRO A 26 2.071 -0.684 3.476 1.00 0.00 N ATOM 363 CA PRO A 26 2.281 -0.119 2.150 1.00 0.00 C ATOM 364 C PRO A 26 3.085 -1.101 1.293 1.00 0.00 C ATOM 365 O PRO A 26 4.197 -1.477 1.661 1.00 0.00 O ATOM 366 CB PRO A 26 3.020 1.204 2.383 1.00 0.00 C ATOM 367 CG PRO A 26 3.733 1.005 3.718 1.00 0.00 C ATOM 368 CD PRO A 26 2.759 0.116 4.484 1.00 0.00 C ATOM 0 HA PRO A 26 1.352 0.060 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.728 1.411 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.328 2.045 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.705 0.527 3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.907 1.951 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.287 -0.520 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.051 0.715 5.057 1.00 0.00 H new ATOM 376 N ALA A 27 2.529 -1.534 0.164 1.00 0.00 N ATOM 377 CA ALA A 27 3.154 -2.496 -0.725 1.00 0.00 C ATOM 378 C ALA A 27 2.994 -2.053 -2.181 1.00 0.00 C ATOM 379 O ALA A 27 2.236 -1.130 -2.495 1.00 0.00 O ATOM 380 CB ALA A 27 2.557 -3.885 -0.461 1.00 0.00 C ATOM 0 H ALA A 27 1.615 -1.217 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 27 4.225 -2.551 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.022 -4.613 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.742 -4.169 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.483 -3.860 -0.645 1.00 0.00 H new ATOM 386 N ARG A 28 3.714 -2.706 -3.089 1.00 0.00 N ATOM 387 CA ARG A 28 3.636 -2.447 -4.524 1.00 0.00 C ATOM 388 C ARG A 28 3.310 -3.758 -5.228 1.00 0.00 C ATOM 389 O ARG A 28 3.735 -4.815 -4.751 1.00 0.00 O ATOM 390 CB ARG A 28 4.946 -1.771 -4.980 1.00 0.00 C ATOM 391 CG ARG A 28 6.128 -2.732 -5.177 1.00 0.00 C ATOM 392 CD ARG A 28 7.436 -2.043 -5.592 1.00 0.00 C ATOM 393 NE ARG A 28 7.366 -1.517 -6.962 1.00 0.00 N ATOM 394 CZ ARG A 28 8.374 -1.017 -7.686 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.566 -0.760 -7.153 1.00 0.00 N ATOM 396 NH2 ARG A 28 8.160 -0.783 -8.973 1.00 0.00 N ATOM 0 H ARG A 28 4.378 -3.441 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 28 2.838 -1.752 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.761 -1.247 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.226 -1.018 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.297 -3.278 -4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.861 -3.468 -5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.653 -1.229 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.260 -2.753 -5.517 1.00 0.00 H new ATOM 0 HE ARG A 28 6.450 -1.535 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.733 -0.944 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.313 -0.379 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.248 -0.984 -9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.907 -0.402 -9.553 1.00 0.00 H new ATOM 410 N ILE A 29 2.584 -3.700 -6.348 1.00 0.00 N ATOM 411 CA ILE A 29 2.515 -4.813 -7.283 1.00 0.00 C ATOM 412 C ILE A 29 3.816 -4.727 -8.065 1.00 0.00 C ATOM 413 O ILE A 29 3.978 -3.869 -8.946 1.00 0.00 O ATOM 414 CB ILE A 29 1.271 -4.822 -8.210 1.00 0.00 C ATOM 415 CG1 ILE A 29 -0.041 -4.406 -7.535 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.148 -6.238 -8.814 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.452 -5.301 -6.378 1.00 0.00 C ATOM 0 H ILE A 29 2.035 -2.886 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 29 2.398 -5.752 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 29 1.429 -4.064 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.058 -3.383 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.836 -4.405 -8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.281 -6.278 -9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.048 -6.470 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.029 -6.967 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.389 -4.940 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.585 -6.322 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.323 -5.284 -5.612 1.00 0.00 H new ATOM 429 N ASP A 30 4.768 -5.563 -7.670 1.00 0.00 N ATOM 430 CA ASP A 30 6.044 -5.678 -8.352 1.00 0.00 C ATOM 431 C ASP A 30 5.812 -6.243 -9.758 1.00 0.00 C ATOM 432 O ASP A 30 4.704 -6.649 -10.120 1.00 0.00 O ATOM 433 CB ASP A 30 6.985 -6.565 -7.526 1.00 0.00 C ATOM 434 CG ASP A 30 8.470 -6.332 -7.800 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.834 -5.609 -8.751 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.288 -6.787 -6.965 1.00 0.00 O ATOM 0 H ASP A 30 4.673 -6.181 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 30 6.514 -4.700 -8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.791 -6.393 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.750 -7.610 -7.727 1.00 0.00 H new ATOM 441 N GLU A 31 6.858 -6.285 -10.565 1.00 0.00 N ATOM 442 CA GLU A 31 6.844 -6.789 -11.923 1.00 0.00 C ATOM 443 C GLU A 31 7.900 -7.869 -12.059 1.00 0.00 C ATOM 444 O GLU A 31 8.773 -8.038 -11.206 1.00 0.00 O ATOM 445 CB GLU A 31 6.961 -5.654 -12.946 1.00 0.00 C ATOM 446 CG GLU A 31 7.912 -4.496 -12.621 1.00 0.00 C ATOM 447 CD GLU A 31 7.508 -3.303 -13.478 1.00 0.00 C ATOM 448 OE1 GLU A 31 6.441 -2.711 -13.191 1.00 0.00 O ATOM 449 OE2 GLU A 31 8.147 -3.075 -14.531 1.00 0.00 O ATOM 0 H GLU A 31 7.779 -5.954 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 31 5.882 -7.252 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.275 -6.089 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.966 -5.237 -13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.856 -4.242 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.944 -4.781 -12.826 1.00 0.00 H new ATOM 456 N LEU A 32 7.743 -8.677 -13.098 1.00 0.00 N ATOM 457 CA LEU A 32 8.285 -10.019 -13.162 1.00 0.00 C ATOM 458 C LEU A 32 8.931 -10.145 -14.542 1.00 0.00 C ATOM 459 O LEU A 32 8.199 -10.310 -15.524 1.00 0.00 O ATOM 460 CB LEU A 32 7.182 -11.051 -12.985 1.00 0.00 C ATOM 461 CG LEU A 32 6.448 -11.008 -11.635 1.00 0.00 C ATOM 462 CD1 LEU A 32 4.981 -11.391 -11.838 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.127 -11.955 -10.652 1.00 0.00 C ATOM 0 H LEU A 32 7.224 -8.409 -13.934 1.00 0.00 H new ATOM 0 HA LEU A 32 9.010 -10.196 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.450 -10.916 -13.781 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.613 -12.044 -13.113 1.00 0.00 H new ATOM 0 HG LEU A 32 6.489 -9.999 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.461 -11.360 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.513 -10.688 -12.527 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.922 -12.398 -12.251 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.605 -11.923 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.099 -12.971 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.164 -11.650 -10.510 1.00 0.00 H new ATOM 475 N PRO A 33 10.264 -10.033 -14.615 1.00 0.00 N ATOM 476 CA PRO A 33 11.037 -10.073 -15.845 1.00 0.00 C ATOM 477 C PRO A 33 10.598 -11.232 -16.745 1.00 0.00 C ATOM 478 O PRO A 33 10.344 -12.337 -16.257 1.00 0.00 O ATOM 479 CB PRO A 33 12.500 -10.216 -15.405 1.00 0.00 C ATOM 480 CG PRO A 33 12.545 -9.844 -13.927 1.00 0.00 C ATOM 481 CD PRO A 33 11.107 -9.980 -13.445 1.00 0.00 C ATOM 0 HA PRO A 33 10.889 -9.173 -16.442 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.854 -11.235 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.147 -9.562 -15.990 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.212 -10.505 -13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.915 -8.828 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.987 -10.881 -12.844 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.833 -9.136 -12.812 1.00 0.00 H new ATOM 489 N GLU A 34 10.517 -11.004 -18.057 1.00 0.00 N ATOM 490 CA GLU A 34 10.232 -12.072 -19.005 1.00 0.00 C ATOM 491 C GLU A 34 11.362 -13.103 -18.942 1.00 0.00 C ATOM 492 O GLU A 34 12.492 -12.799 -19.327 1.00 0.00 O ATOM 493 CB GLU A 34 10.065 -11.512 -20.422 1.00 0.00 C ATOM 494 CG GLU A 34 8.679 -10.888 -20.637 1.00 0.00 C ATOM 495 CD GLU A 34 8.148 -11.272 -22.015 1.00 0.00 C ATOM 496 OE1 GLU A 34 8.510 -10.596 -23.005 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.433 -12.295 -22.122 1.00 0.00 O ATOM 0 H GLU A 34 10.646 -10.086 -18.484 1.00 0.00 H new ATOM 0 HA GLU A 34 9.292 -12.557 -18.740 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.833 -10.761 -20.607 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.219 -12.311 -21.147 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.992 -11.231 -19.864 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.741 -9.803 -20.550 1.00 0.00 H new ATOM 504 N GLY A 35 11.066 -14.292 -18.415 1.00 0.00 N ATOM 505 CA GLY A 35 12.006 -15.380 -18.200 1.00 0.00 C ATOM 506 C GLY A 35 12.207 -15.684 -16.718 1.00 0.00 C ATOM 507 O GLY A 35 12.820 -16.702 -16.396 1.00 0.00 O ATOM 0 H GLY A 35 10.120 -14.528 -18.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.645 -16.275 -18.707 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.965 -15.123 -18.650 1.00 0.00 H new ATOM 511 N ALA A 36 11.697 -14.850 -15.807 1.00 0.00 N ATOM 512 CA ALA A 36 11.792 -15.067 -14.375 1.00 0.00 C ATOM 513 C ALA A 36 10.824 -16.161 -13.911 1.00 0.00 C ATOM 514 O ALA A 36 9.923 -16.596 -14.642 1.00 0.00 O ATOM 515 CB ALA A 36 11.500 -13.749 -13.643 1.00 0.00 C ATOM 0 H ALA A 36 11.201 -13.994 -16.056 1.00 0.00 H new ATOM 0 HA ALA A 36 12.802 -15.402 -14.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.570 -13.907 -12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.226 -12.995 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.496 -13.408 -13.895 1.00 0.00 H new ATOM 521 N VAL A 37 11.004 -16.542 -12.647 1.00 0.00 N ATOM 522 CA VAL A 37 10.000 -17.187 -11.808 1.00 0.00 C ATOM 523 C VAL A 37 8.732 -16.323 -11.821 1.00 0.00 C ATOM 524 O VAL A 37 8.830 -15.093 -11.857 1.00 0.00 O ATOM 525 CB VAL A 37 10.572 -17.452 -10.396 1.00 0.00 C ATOM 526 CG1 VAL A 37 11.277 -16.230 -9.817 1.00 0.00 C ATOM 527 CG2 VAL A 37 9.529 -17.976 -9.401 1.00 0.00 C ATOM 0 H VAL A 37 11.890 -16.403 -12.162 1.00 0.00 H new ATOM 0 HA VAL A 37 9.727 -18.168 -12.196 1.00 0.00 H new ATOM 0 HB VAL A 37 11.308 -18.243 -10.540 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.661 -16.467 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.104 -15.945 -10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.571 -15.403 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.001 -18.139 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.727 -17.245 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.117 -18.916 -9.767 1.00 0.00 H new ATOM 537 N LYS A 38 7.545 -16.934 -11.748 1.00 0.00 N ATOM 538 CA LYS A 38 6.278 -16.211 -11.717 1.00 0.00 C ATOM 539 C LYS A 38 5.482 -16.574 -10.459 1.00 0.00 C ATOM 540 O LYS A 38 5.691 -17.659 -9.899 1.00 0.00 O ATOM 541 CB LYS A 38 5.495 -16.458 -13.017 1.00 0.00 C ATOM 542 CG LYS A 38 5.115 -17.931 -13.231 1.00 0.00 C ATOM 543 CD LYS A 38 4.121 -18.141 -14.380 1.00 0.00 C ATOM 544 CE LYS A 38 2.714 -17.617 -14.043 1.00 0.00 C ATOM 545 NZ LYS A 38 2.397 -16.259 -14.555 1.00 0.00 N ATOM 0 H LYS A 38 7.440 -17.948 -11.709 1.00 0.00 H new ATOM 0 HA LYS A 38 6.470 -15.140 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.587 -15.854 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.093 -16.118 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.019 -18.506 -13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.684 -18.325 -12.311 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.490 -17.635 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.063 -19.203 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.980 -18.317 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.596 -17.614 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.817 -15.751 -13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.280 -15.735 -14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.871 -16.339 -15.449 1.00 0.00 H new ATOM 559 N PRO A 39 4.532 -15.725 -10.031 1.00 0.00 N ATOM 560 CA PRO A 39 3.619 -16.036 -8.947 1.00 0.00 C ATOM 561 C PRO A 39 2.729 -17.232 -9.268 1.00 0.00 C ATOM 562 O PRO A 39 2.520 -17.582 -10.439 1.00 0.00 O ATOM 563 CB PRO A 39 2.754 -14.788 -8.726 1.00 0.00 C ATOM 564 CG PRO A 39 3.460 -13.678 -9.490 1.00 0.00 C ATOM 565 CD PRO A 39 4.229 -14.419 -10.576 1.00 0.00 C ATOM 0 HA PRO A 39 4.187 -16.303 -8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.741 -14.940 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.672 -14.547 -7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.749 -12.970 -9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.128 -13.109 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.635 -14.504 -11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.142 -13.885 -10.841 1.00 0.00 H new ATOM 573 N PRO A 40 2.146 -17.827 -8.217 1.00 0.00 N ATOM 574 CA PRO A 40 1.175 -18.875 -8.381 1.00 0.00 C ATOM 575 C PRO A 40 -0.150 -18.326 -8.879 1.00 0.00 C ATOM 576 O PRO A 40 -0.384 -17.113 -8.893 1.00 0.00 O ATOM 577 CB PRO A 40 1.058 -19.522 -7.001 1.00 0.00 C ATOM 578 CG PRO A 40 1.303 -18.356 -6.058 1.00 0.00 C ATOM 579 CD PRO A 40 2.336 -17.523 -6.805 1.00 0.00 C ATOM 0 HA PRO A 40 1.475 -19.604 -9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.075 -19.968 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.793 -20.315 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.390 -17.792 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.678 -18.691 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.195 -16.460 -6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.347 -17.774 -6.484 1.00 0.00 H new ATOM 587 N ALA A 41 -1.013 -19.255 -9.285 1.00 0.00 N ATOM 588 CA ALA A 41 -2.302 -18.950 -9.833 1.00 0.00 C ATOM 589 C ALA A 41 -3.065 -18.084 -8.850 1.00 0.00 C ATOM 590 O ALA A 41 -3.201 -18.437 -7.677 1.00 0.00 O ATOM 591 CB ALA A 41 -3.071 -20.232 -10.154 1.00 0.00 C ATOM 0 H ALA A 41 -0.818 -20.255 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.180 -18.403 -10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.046 -19.977 -10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.510 -20.820 -10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.205 -20.814 -9.242 1.00 0.00 H new ATOM 597 N ASN A 42 -3.541 -16.960 -9.373 1.00 0.00 N ATOM 598 CA ASN A 42 -4.451 -15.994 -8.753 1.00 0.00 C ATOM 599 C ASN A 42 -3.711 -14.991 -7.857 1.00 0.00 C ATOM 600 O ASN A 42 -4.371 -14.167 -7.220 1.00 0.00 O ATOM 601 CB ASN A 42 -5.564 -16.666 -7.915 1.00 0.00 C ATOM 602 CG ASN A 42 -6.433 -17.717 -8.598 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.250 -18.107 -9.751 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.413 -18.240 -7.875 1.00 0.00 N ATOM 0 H ASN A 42 -3.282 -16.674 -10.317 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.909 -15.468 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.095 -17.131 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.221 -15.881 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.012 -18.963 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.568 -17.920 -6.919 1.00 0.00 H new ATOM 611 N LYS A 43 -2.376 -15.055 -7.738 1.00 0.00 N ATOM 612 CA LYS A 43 -1.636 -14.231 -6.779 1.00 0.00 C ATOM 613 C LYS A 43 -0.760 -13.212 -7.485 1.00 0.00 C ATOM 614 O LYS A 43 -0.391 -13.378 -8.646 1.00 0.00 O ATOM 615 CB LYS A 43 -0.815 -15.105 -5.821 1.00 0.00 C ATOM 616 CG LYS A 43 -1.711 -16.112 -5.082 1.00 0.00 C ATOM 617 CD LYS A 43 -1.102 -16.596 -3.763 1.00 0.00 C ATOM 618 CE LYS A 43 -2.019 -17.675 -3.187 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.473 -18.294 -1.966 1.00 0.00 N ATOM 0 H LYS A 43 -1.788 -15.672 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.364 -13.679 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.047 -15.639 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.301 -14.472 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.678 -15.651 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.894 -16.970 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.101 -16.995 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.002 -15.767 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.992 -17.238 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.182 -18.447 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.134 -19.018 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.557 -18.737 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.342 -17.565 -1.236 1.00 0.00 H new ATOM 633 N TYR A 44 -0.385 -12.184 -6.736 1.00 0.00 N ATOM 634 CA TYR A 44 0.385 -11.039 -7.164 1.00 0.00 C ATOM 635 C TYR A 44 1.726 -11.059 -6.419 1.00 0.00 C ATOM 636 O TYR A 44 1.777 -11.552 -5.287 1.00 0.00 O ATOM 637 CB TYR A 44 -0.417 -9.779 -6.813 1.00 0.00 C ATOM 638 CG TYR A 44 -1.770 -9.697 -7.499 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.869 -9.121 -8.776 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.933 -10.188 -6.868 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.108 -9.067 -9.435 1.00 0.00 C ATOM 642 CE2 TYR A 44 -4.172 -10.155 -7.538 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.269 -9.603 -8.836 1.00 0.00 C ATOM 644 OH TYR A 44 -5.460 -9.564 -9.507 1.00 0.00 O ATOM 0 H TYR A 44 -0.631 -12.131 -5.747 1.00 0.00 H new ATOM 0 HA TYR A 44 0.578 -11.056 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.566 -9.744 -5.734 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.169 -8.901 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.988 -8.718 -9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.873 -10.591 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.174 -8.610 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.053 -10.554 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.159 -9.975 -8.957 1.00 0.00 H new ATOM 654 N PRO A 45 2.806 -10.537 -7.019 1.00 0.00 N ATOM 655 CA PRO A 45 4.078 -10.306 -6.349 1.00 0.00 C ATOM 656 C PRO A 45 3.969 -9.033 -5.500 1.00 0.00 C ATOM 657 O PRO A 45 3.930 -7.921 -6.030 1.00 0.00 O ATOM 658 CB PRO A 45 5.089 -10.170 -7.486 1.00 0.00 C ATOM 659 CG PRO A 45 4.275 -9.488 -8.585 1.00 0.00 C ATOM 660 CD PRO A 45 2.873 -10.067 -8.396 1.00 0.00 C ATOM 0 HA PRO A 45 4.374 -11.103 -5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.951 -9.572 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.469 -11.140 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.280 -8.404 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.672 -9.710 -9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.111 -9.311 -8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.692 -10.884 -9.095 1.00 0.00 H new ATOM 668 N ILE A 46 3.862 -9.192 -4.186 1.00 0.00 N ATOM 669 CA ILE A 46 3.689 -8.083 -3.260 1.00 0.00 C ATOM 670 C ILE A 46 5.049 -7.841 -2.607 1.00 0.00 C ATOM 671 O ILE A 46 5.552 -8.706 -1.892 1.00 0.00 O ATOM 672 CB ILE A 46 2.534 -8.416 -2.290 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.195 -8.664 -3.035 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.321 -7.329 -1.231 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.734 -7.546 -3.989 1.00 0.00 C ATOM 0 H ILE A 46 3.893 -10.104 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 46 3.391 -7.149 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 46 2.839 -9.335 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.286 -9.587 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.414 -8.825 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.498 -7.615 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.230 -7.213 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.084 -6.385 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.211 -7.830 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.600 -6.621 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.486 -7.395 -4.763 1.00 0.00 H new ATOM 687 N PHE A 47 5.669 -6.693 -2.895 1.00 0.00 N ATOM 688 CA PHE A 47 6.878 -6.212 -2.224 1.00 0.00 C ATOM 689 C PHE A 47 6.448 -5.187 -1.177 1.00 0.00 C ATOM 690 O PHE A 47 5.728 -4.238 -1.506 1.00 0.00 O ATOM 691 CB PHE A 47 7.862 -5.634 -3.253 1.00 0.00 C ATOM 692 CG PHE A 47 9.046 -4.851 -2.698 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.201 -5.535 -2.271 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.039 -3.439 -2.679 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.352 -4.824 -1.891 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.189 -2.731 -2.283 1.00 0.00 C ATOM 697 CZ PHE A 47 11.350 -3.421 -1.901 1.00 0.00 C ATOM 0 H PHE A 47 5.335 -6.057 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 47 7.406 -7.024 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.249 -6.457 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.307 -4.981 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.202 -6.614 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.149 -2.901 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.241 -5.359 -1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.178 -1.651 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.237 -2.875 -1.616 1.00 0.00 H new ATOM 707 N PHE A 48 6.830 -5.415 0.078 1.00 0.00 N ATOM 708 CA PHE A 48 6.434 -4.627 1.236 1.00 0.00 C ATOM 709 C PHE A 48 7.446 -3.499 1.450 1.00 0.00 C ATOM 710 O PHE A 48 8.493 -3.719 2.069 1.00 0.00 O ATOM 711 CB PHE A 48 6.371 -5.526 2.478 1.00 0.00 C ATOM 712 CG PHE A 48 5.314 -6.613 2.481 1.00 0.00 C ATOM 713 CD1 PHE A 48 4.041 -6.366 3.029 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.640 -7.906 2.037 1.00 0.00 C ATOM 715 CE1 PHE A 48 3.106 -7.411 3.152 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.707 -8.946 2.160 1.00 0.00 C ATOM 717 CZ PHE A 48 3.441 -8.705 2.718 1.00 0.00 C ATOM 0 H PHE A 48 7.450 -6.187 0.322 1.00 0.00 H new ATOM 0 HA PHE A 48 5.448 -4.196 1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.345 -5.999 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.208 -4.891 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.781 -5.370 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.609 -8.099 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.133 -7.219 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.964 -9.939 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.728 -9.511 2.813 1.00 0.00 H new ATOM 727 N PHE A 49 7.127 -2.294 0.971 1.00 0.00 N ATOM 728 CA PHE A 49 7.954 -1.102 1.140 1.00 0.00 C ATOM 729 C PHE A 49 8.348 -0.912 2.616 1.00 0.00 C ATOM 730 O PHE A 49 7.620 -1.306 3.537 1.00 0.00 O ATOM 731 CB PHE A 49 7.207 0.122 0.583 1.00 0.00 C ATOM 732 CG PHE A 49 7.328 0.334 -0.918 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.610 0.456 -1.482 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.199 0.537 -1.738 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.781 0.838 -2.817 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.370 0.904 -3.084 1.00 0.00 C ATOM 737 CZ PHE A 49 7.658 1.042 -3.632 1.00 0.00 C ATOM 0 H PHE A 49 6.270 -2.119 0.446 1.00 0.00 H new ATOM 0 HA PHE A 49 8.881 -1.222 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.151 0.027 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.577 1.013 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.479 0.251 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.206 0.411 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.774 0.975 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.504 1.082 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.781 1.303 -4.673 1.00 0.00 H new ATOM 747 N GLY A 50 9.526 -0.345 2.866 1.00 0.00 N ATOM 748 CA GLY A 50 10.077 -0.114 4.197 1.00 0.00 C ATOM 749 C GLY A 50 10.544 -1.361 4.952 1.00 0.00 C ATOM 750 O GLY A 50 11.279 -1.219 5.930 1.00 0.00 O ATOM 0 H GLY A 50 10.144 -0.023 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.921 0.570 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.322 0.390 4.799 1.00 0.00 H new ATOM 754 N THR A 51 10.158 -2.568 4.523 1.00 0.00 N ATOM 755 CA THR A 51 10.732 -3.824 5.023 1.00 0.00 C ATOM 756 C THR A 51 11.471 -4.581 3.923 1.00 0.00 C ATOM 757 O THR A 51 12.283 -5.457 4.217 1.00 0.00 O ATOM 758 CB THR A 51 9.662 -4.704 5.677 1.00 0.00 C ATOM 759 OG1 THR A 51 8.678 -5.115 4.745 1.00 0.00 O ATOM 760 CG2 THR A 51 8.956 -3.977 6.817 1.00 0.00 C ATOM 0 H THR A 51 9.435 -2.702 3.816 1.00 0.00 H new ATOM 0 HA THR A 51 11.463 -3.564 5.789 1.00 0.00 H new ATOM 0 HB THR A 51 10.189 -5.576 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.757 -4.579 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.204 -4.633 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.685 -3.700 7.578 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.474 -3.079 6.432 1.00 0.00 H new ATOM 768 N HIS A 52 11.207 -4.230 2.664 1.00 0.00 N ATOM 769 CA HIS A 52 11.849 -4.741 1.465 1.00 0.00 C ATOM 770 C HIS A 52 11.650 -6.258 1.283 1.00 0.00 C ATOM 771 O HIS A 52 12.370 -6.887 0.509 1.00 0.00 O ATOM 772 CB HIS A 52 13.321 -4.272 1.381 1.00 0.00 C ATOM 773 CG HIS A 52 13.693 -3.054 2.208 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.687 -3.029 3.162 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.075 -1.827 2.221 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.659 -1.818 3.745 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.688 -1.054 3.213 1.00 0.00 N ATOM 0 H HIS A 52 10.492 -3.536 2.447 1.00 0.00 H new ATOM 0 HA HIS A 52 11.346 -4.305 0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.961 -5.100 1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.552 -4.059 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.263 -1.515 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.326 -1.501 4.534 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.446 -0.100 3.480 1.00 0.00 H new ATOM 785 N GLU A 53 10.693 -6.863 1.991 1.00 0.00 N ATOM 786 CA GLU A 53 10.373 -8.280 1.869 1.00 0.00 C ATOM 787 C GLU A 53 9.422 -8.509 0.687 1.00 0.00 C ATOM 788 O GLU A 53 8.781 -7.564 0.214 1.00 0.00 O ATOM 789 CB GLU A 53 9.723 -8.763 3.171 1.00 0.00 C ATOM 790 CG GLU A 53 10.636 -8.623 4.399 1.00 0.00 C ATOM 791 CD GLU A 53 10.423 -9.783 5.372 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.373 -9.845 6.056 1.00 0.00 O ATOM 793 OE2 GLU A 53 11.292 -10.690 5.411 1.00 0.00 O ATOM 0 H GLU A 53 10.114 -6.373 2.673 1.00 0.00 H new ATOM 0 HA GLU A 53 11.288 -8.844 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.807 -8.197 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.436 -9.808 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.678 -8.596 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.432 -7.678 4.903 1.00 0.00 H new ATOM 800 N THR A 54 9.264 -9.765 0.257 1.00 0.00 N ATOM 801 CA THR A 54 8.356 -10.156 -0.818 1.00 0.00 C ATOM 802 C THR A 54 7.431 -11.289 -0.359 1.00 0.00 C ATOM 803 O THR A 54 7.810 -12.099 0.492 1.00 0.00 O ATOM 804 CB THR A 54 9.166 -10.533 -2.079 1.00 0.00 C ATOM 805 OG1 THR A 54 10.189 -11.482 -1.816 1.00 0.00 O ATOM 806 CG2 THR A 54 9.841 -9.300 -2.681 1.00 0.00 C ATOM 0 H THR A 54 9.776 -10.552 0.657 1.00 0.00 H new ATOM 0 HA THR A 54 7.716 -9.312 -1.077 1.00 0.00 H new ATOM 0 HB THR A 54 8.442 -10.967 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.668 -11.686 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.405 -9.590 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.082 -8.568 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.518 -8.861 -1.948 1.00 0.00 H new ATOM 814 N ALA A 55 6.220 -11.363 -0.916 1.00 0.00 N ATOM 815 CA ALA A 55 5.282 -12.464 -0.741 1.00 0.00 C ATOM 816 C ALA A 55 4.485 -12.660 -2.029 1.00 0.00 C ATOM 817 O ALA A 55 4.423 -11.762 -2.874 1.00 0.00 O ATOM 818 CB ALA A 55 4.326 -12.161 0.421 1.00 0.00 C ATOM 0 H ALA A 55 5.856 -10.628 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 55 5.835 -13.375 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.629 -12.990 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.899 -12.030 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.770 -11.248 0.206 1.00 0.00 H new ATOM 824 N PHE A 56 3.808 -13.804 -2.141 1.00 0.00 N ATOM 825 CA PHE A 56 2.824 -14.047 -3.183 1.00 0.00 C ATOM 826 C PHE A 56 1.464 -14.114 -2.506 1.00 0.00 C ATOM 827 O PHE A 56 1.156 -15.098 -1.829 1.00 0.00 O ATOM 828 CB PHE A 56 3.128 -15.343 -3.944 1.00 0.00 C ATOM 829 CG PHE A 56 4.393 -15.333 -4.786 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.617 -14.314 -5.735 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.331 -16.376 -4.651 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.764 -14.341 -6.551 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.478 -16.402 -5.462 1.00 0.00 C ATOM 834 CZ PHE A 56 6.693 -15.388 -6.410 1.00 0.00 C ATOM 0 H PHE A 56 3.932 -14.590 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 56 2.845 -13.246 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.200 -16.157 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.283 -15.567 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.905 -13.509 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.168 -17.157 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.930 -13.562 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.195 -17.203 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.575 -15.412 -7.033 1.00 0.00 H new ATOM 844 N LEU A 57 0.642 -13.081 -2.692 1.00 0.00 N ATOM 845 CA LEU A 57 -0.661 -12.975 -2.037 1.00 0.00 C ATOM 846 C LEU A 57 -1.737 -12.815 -3.101 1.00 0.00 C ATOM 847 O LEU A 57 -1.521 -12.163 -4.124 1.00 0.00 O ATOM 848 CB LEU A 57 -0.693 -11.795 -1.051 1.00 0.00 C ATOM 849 CG LEU A 57 0.325 -11.889 0.102 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.456 -10.521 0.773 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.076 -12.945 1.139 1.00 0.00 C ATOM 0 H LEU A 57 0.862 -12.293 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.846 -13.883 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.511 -10.873 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.695 -11.721 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 57 1.283 -12.195 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.175 -10.584 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.799 -9.789 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.513 -10.214 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.670 -12.977 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.047 -12.688 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.137 -13.922 0.659 1.00 0.00 H new ATOM 863 N GLY A 58 -2.902 -13.413 -2.866 1.00 0.00 N ATOM 864 CA GLY A 58 -4.087 -13.232 -3.685 1.00 0.00 C ATOM 865 C GLY A 58 -4.928 -12.078 -3.135 1.00 0.00 C ATOM 866 O GLY A 58 -4.800 -11.710 -1.964 1.00 0.00 O ATOM 0 H GLY A 58 -3.047 -14.050 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.799 -13.025 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.676 -14.149 -3.696 1.00 0.00 H new ATOM 870 N PRO A 59 -5.848 -11.541 -3.945 1.00 0.00 N ATOM 871 CA PRO A 59 -6.445 -10.220 -3.762 1.00 0.00 C ATOM 872 C PRO A 59 -7.336 -10.116 -2.528 1.00 0.00 C ATOM 873 O PRO A 59 -7.534 -9.019 -2.009 1.00 0.00 O ATOM 874 CB PRO A 59 -7.220 -9.932 -5.046 1.00 0.00 C ATOM 875 CG PRO A 59 -7.546 -11.327 -5.566 1.00 0.00 C ATOM 876 CD PRO A 59 -6.375 -12.195 -5.124 1.00 0.00 C ATOM 0 HA PRO A 59 -5.665 -9.480 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.122 -9.352 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.623 -9.364 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.486 -11.692 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.652 -11.329 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.699 -13.211 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.620 -12.267 -5.906 1.00 0.00 H new ATOM 884 N LYS A 60 -7.818 -11.248 -2.006 1.00 0.00 N ATOM 885 CA LYS A 60 -8.569 -11.280 -0.760 1.00 0.00 C ATOM 886 C LYS A 60 -7.818 -10.589 0.372 1.00 0.00 C ATOM 887 O LYS A 60 -8.473 -10.002 1.229 1.00 0.00 O ATOM 888 CB LYS A 60 -8.906 -12.725 -0.369 1.00 0.00 C ATOM 889 CG LYS A 60 -10.112 -13.278 -1.148 1.00 0.00 C ATOM 890 CD LYS A 60 -11.386 -13.393 -0.294 1.00 0.00 C ATOM 891 CE LYS A 60 -12.052 -12.030 -0.087 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.249 -12.116 0.777 1.00 0.00 N ATOM 0 H LYS A 60 -7.696 -12.163 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.496 -10.732 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.038 -13.359 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.116 -12.770 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.312 -12.631 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.859 -14.261 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.088 -14.072 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.137 -13.828 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.334 -11.341 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.334 -11.615 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.666 -11.170 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.947 -12.752 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.978 -12.487 1.710 1.00 0.00 H new ATOM 906 N ASP A 61 -6.489 -10.629 0.390 1.00 0.00 N ATOM 907 CA ASP A 61 -5.670 -10.129 1.494 1.00 0.00 C ATOM 908 C ASP A 61 -5.205 -8.685 1.242 1.00 0.00 C ATOM 909 O ASP A 61 -4.348 -8.176 1.970 1.00 0.00 O ATOM 910 CB ASP A 61 -4.491 -11.097 1.705 1.00 0.00 C ATOM 911 CG ASP A 61 -4.942 -12.458 2.251 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.804 -12.519 3.164 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.451 -13.493 1.741 1.00 0.00 O ATOM 0 H ASP A 61 -5.939 -11.017 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.264 -10.092 2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.970 -11.243 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.777 -10.650 2.396 1.00 0.00 H new ATOM 918 N LEU A 62 -5.723 -8.008 0.206 1.00 0.00 N ATOM 919 CA LEU A 62 -5.128 -6.805 -0.382 1.00 0.00 C ATOM 920 C LEU A 62 -6.195 -5.727 -0.639 1.00 0.00 C ATOM 921 O LEU A 62 -7.364 -6.088 -0.804 1.00 0.00 O ATOM 922 CB LEU A 62 -4.472 -7.199 -1.718 1.00 0.00 C ATOM 923 CG LEU A 62 -3.527 -8.426 -1.734 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.959 -8.706 -3.129 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.322 -8.337 -0.791 1.00 0.00 C ATOM 0 H LEU A 62 -6.588 -8.291 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.393 -6.394 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.269 -7.383 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.908 -6.339 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.183 -9.227 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.303 -9.575 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.777 -8.902 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.392 -7.840 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.724 -9.244 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.713 -7.474 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.671 -8.229 0.236 1.00 0.00 H new ATOM 937 N PHE A 63 -5.811 -4.444 -0.730 1.00 0.00 N ATOM 938 CA PHE A 63 -6.696 -3.320 -1.077 1.00 0.00 C ATOM 939 C PHE A 63 -5.964 -2.308 -1.978 1.00 0.00 C ATOM 940 O PHE A 63 -4.734 -2.219 -1.893 1.00 0.00 O ATOM 941 CB PHE A 63 -7.196 -2.586 0.183 1.00 0.00 C ATOM 942 CG PHE A 63 -8.080 -3.404 1.100 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.478 -4.231 2.055 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.482 -3.358 1.008 1.00 0.00 C ATOM 945 CE1 PHE A 63 -8.246 -5.076 2.866 1.00 0.00 C ATOM 946 CE2 PHE A 63 -10.265 -4.144 1.873 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.652 -5.015 2.795 1.00 0.00 C ATOM 0 H PHE A 63 -4.849 -4.151 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.550 -3.740 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.331 -2.242 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.746 -1.698 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.404 -4.217 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.956 -2.721 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.765 -5.769 3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.342 -4.079 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.256 -5.632 3.444 1.00 0.00 H new ATOM 957 N PRO A 64 -6.677 -1.501 -2.790 1.00 0.00 N ATOM 958 CA PRO A 64 -6.066 -0.480 -3.638 1.00 0.00 C ATOM 959 C PRO A 64 -5.477 0.677 -2.822 1.00 0.00 C ATOM 960 O PRO A 64 -6.151 1.213 -1.937 1.00 0.00 O ATOM 961 CB PRO A 64 -7.181 0.017 -4.570 1.00 0.00 C ATOM 962 CG PRO A 64 -8.450 -0.760 -4.219 1.00 0.00 C ATOM 963 CD PRO A 64 -8.131 -1.473 -2.911 1.00 0.00 C ATOM 0 HA PRO A 64 -5.228 -0.898 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.339 1.088 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.909 -0.143 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.303 -0.091 -4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.706 -1.472 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.579 -0.950 -2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.538 -2.484 -2.912 1.00 0.00 H new ATOM 971 N TYR A 65 -4.251 1.113 -3.136 1.00 0.00 N ATOM 972 CA TYR A 65 -3.676 2.297 -2.507 1.00 0.00 C ATOM 973 C TYR A 65 -4.475 3.525 -2.894 1.00 0.00 C ATOM 974 O TYR A 65 -4.811 4.300 -2.012 1.00 0.00 O ATOM 975 CB TYR A 65 -2.209 2.511 -2.879 1.00 0.00 C ATOM 976 CG TYR A 65 -1.538 3.723 -2.270 1.00 0.00 C ATOM 977 CD1 TYR A 65 -0.995 3.649 -0.974 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.384 4.899 -3.027 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.349 4.763 -0.411 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.672 5.988 -2.499 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.181 5.939 -1.175 1.00 0.00 C ATOM 982 OH TYR A 65 0.428 7.029 -0.636 1.00 0.00 O ATOM 0 H TYR A 65 -3.644 0.662 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.720 2.136 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.648 1.624 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.138 2.588 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.075 2.732 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.814 4.964 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.018 4.720 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.499 6.865 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 65 0.460 7.748 -1.301 1.00 0.00 H new ATOM 992 N LYS A 66 -4.787 3.739 -4.176 1.00 0.00 N ATOM 993 CA LYS A 66 -5.390 5.013 -4.559 1.00 0.00 C ATOM 994 C LYS A 66 -6.743 5.241 -3.887 1.00 0.00 C ATOM 995 O LYS A 66 -7.089 6.396 -3.652 1.00 0.00 O ATOM 996 CB LYS A 66 -5.439 5.194 -6.089 1.00 0.00 C ATOM 997 CG LYS A 66 -4.616 6.433 -6.449 1.00 0.00 C ATOM 998 CD LYS A 66 -4.752 6.939 -7.889 1.00 0.00 C ATOM 999 CE LYS A 66 -4.207 8.370 -7.888 1.00 0.00 C ATOM 1000 NZ LYS A 66 -4.122 8.999 -9.217 1.00 0.00 N ATOM 0 H LYS A 66 -4.639 3.075 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.735 5.799 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.038 4.312 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.469 5.311 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.899 7.241 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.565 6.213 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.191 6.308 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.793 6.918 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.842 8.985 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.214 8.365 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.744 9.963 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.492 8.439 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.070 9.040 -9.643 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.471 4.176 -3.540 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.680 4.257 -2.746 1.00 0.00 C ATOM 1016 C GLU A 67 -8.351 4.459 -1.262 1.00 0.00 C ATOM 1017 O GLU A 67 -8.914 5.350 -0.632 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.513 2.984 -2.967 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.164 2.973 -4.357 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.438 2.120 -4.477 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.983 1.618 -3.469 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.969 2.015 -5.613 1.00 0.00 O ATOM 0 H GLU A 67 -7.226 3.224 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.263 5.122 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.876 2.107 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.286 2.916 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.405 3.999 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.433 2.610 -5.080 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.479 3.641 -0.667 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.274 3.591 0.785 1.00 0.00 C ATOM 1031 C TYR A 68 -6.082 4.417 1.269 1.00 0.00 C ATOM 1032 O TYR A 68 -5.708 4.301 2.430 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.162 2.138 1.243 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.475 1.385 1.209 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.990 0.914 -0.009 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.191 1.175 2.399 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.203 0.200 -0.038 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.387 0.444 2.388 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.904 -0.043 1.168 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.070 -0.744 1.170 1.00 0.00 O ATOM 0 H TYR A 68 -6.889 2.988 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.149 4.053 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.441 1.621 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.767 2.116 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.453 1.100 -0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.818 1.579 3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.597 -0.161 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.913 0.254 3.312 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.409 -0.813 2.087 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.455 5.229 0.424 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.269 6.009 0.751 1.00 0.00 C ATOM 1052 C LYS A 69 -4.552 6.824 2.002 1.00 0.00 C ATOM 1053 O LYS A 69 -3.769 6.750 2.948 1.00 0.00 O ATOM 1054 CB LYS A 69 -3.868 6.843 -0.482 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.069 8.079 -0.086 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.563 8.890 -1.279 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.661 9.990 -0.719 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.026 10.794 -1.774 1.00 0.00 N ATOM 0 H LYS A 69 -5.769 5.366 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.410 5.380 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.277 6.229 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.764 7.146 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.692 8.719 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.217 7.772 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.012 8.254 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.396 9.320 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.249 10.643 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.888 9.539 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.426 11.524 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.442 10.179 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.760 11.248 -2.354 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.677 7.535 2.036 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.074 8.270 3.227 1.00 0.00 C ATOM 1074 C ASP A 70 -6.408 7.306 4.375 1.00 0.00 C ATOM 1075 O ASP A 70 -5.834 7.400 5.456 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.243 9.203 2.912 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.493 10.114 4.105 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -6.719 11.086 4.272 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -8.470 9.886 4.852 1.00 0.00 O ATOM 0 H ASP A 70 -6.326 7.616 1.253 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.237 8.887 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.021 9.797 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.138 8.622 2.690 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.297 6.335 4.136 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.887 5.470 5.167 1.00 0.00 C ATOM 1086 C LYS A 71 -6.867 4.562 5.869 1.00 0.00 C ATOM 1087 O LYS A 71 -7.041 4.228 7.041 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.990 4.636 4.492 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.980 3.981 5.470 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.115 3.266 4.710 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.514 3.867 4.934 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.098 3.484 6.239 1.00 0.00 N ATOM 0 H LYS A 71 -7.635 6.123 3.197 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.291 6.101 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.545 5.277 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.522 3.856 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.453 3.266 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.401 4.740 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.891 3.289 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.132 2.218 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.452 4.954 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.178 3.540 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.039 3.915 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.184 2.449 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.481 3.818 7.007 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.839 4.097 5.158 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.883 3.081 5.594 1.00 0.00 C ATOM 1108 C PHE A 72 -3.454 3.611 5.654 1.00 0.00 C ATOM 1109 O PHE A 72 -2.675 3.127 6.484 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.935 1.847 4.674 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.147 0.931 4.761 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.057 0.969 5.838 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.337 -0.020 3.742 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.131 0.067 5.891 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.399 -0.937 3.809 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.299 -0.895 4.885 1.00 0.00 C ATOM 0 H PHE A 72 -5.642 4.436 4.216 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.177 2.796 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.856 2.197 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.049 1.245 4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.927 1.696 6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.660 -0.045 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.832 0.114 6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.523 -1.676 3.031 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.116 -1.599 4.938 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.100 4.593 4.822 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.758 5.144 4.736 1.00 0.00 C ATOM 1128 C GLY A 73 -1.576 6.217 5.799 1.00 0.00 C ATOM 1129 O GLY A 73 -1.570 7.402 5.470 1.00 0.00 O ATOM 0 H GLY A 73 -3.757 5.033 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.020 4.353 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.591 5.567 3.746 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.503 5.811 7.068 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.466 6.685 8.242 1.00 0.00 C ATOM 1135 C LYS A 74 -0.373 6.211 9.188 1.00 0.00 C ATOM 1136 O LYS A 74 -0.045 5.021 9.165 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.856 6.744 8.904 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.517 5.415 9.337 1.00 0.00 C ATOM 1139 CD LYS A 74 -2.914 4.728 10.577 1.00 0.00 C ATOM 1140 CE LYS A 74 -2.168 3.429 10.224 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.712 2.249 10.927 1.00 0.00 N ATOM 0 H LYS A 74 -1.467 4.822 7.316 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.221 7.706 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.778 7.380 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.534 7.242 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.573 5.604 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.466 4.718 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.227 5.415 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.709 4.505 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.224 3.264 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.113 3.541 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.173 1.403 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.635 2.391 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.711 2.122 10.669 1.00 0.00 H new ATOM 1155 N SER A 75 0.190 7.094 10.009 1.00 0.00 N ATOM 1156 CA SER A 75 1.471 6.815 10.637 1.00 0.00 C ATOM 1157 C SER A 75 1.390 5.799 11.792 1.00 0.00 C ATOM 1158 O SER A 75 0.990 6.116 12.918 1.00 0.00 O ATOM 1159 CB SER A 75 2.193 8.120 10.964 1.00 0.00 C ATOM 1160 OG SER A 75 1.432 9.020 11.742 1.00 0.00 O ATOM 0 H SER A 75 -0.218 7.997 10.251 1.00 0.00 H new ATOM 0 HA SER A 75 2.096 6.290 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.117 7.889 11.495 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.475 8.610 10.032 1.00 0.00 H new ATOM 0 HG SER A 75 1.957 9.830 11.913 1.00 0.00 H new ATOM 1166 N ASN A 76 1.741 4.539 11.517 1.00 0.00 N ATOM 1167 CA ASN A 76 1.624 3.426 12.462 1.00 0.00 C ATOM 1168 C ASN A 76 2.802 3.402 13.449 1.00 0.00 C ATOM 1169 O ASN A 76 3.796 4.093 13.241 1.00 0.00 O ATOM 1170 CB ASN A 76 1.542 2.106 11.680 1.00 0.00 C ATOM 1171 CG ASN A 76 1.200 0.929 12.576 1.00 0.00 C ATOM 1172 OD1 ASN A 76 2.034 0.073 12.840 1.00 0.00 O ATOM 1173 ND2 ASN A 76 0.011 0.898 13.144 1.00 0.00 N ATOM 0 H ASN A 76 2.122 4.259 10.613 1.00 0.00 H new ATOM 0 HA ASN A 76 0.715 3.558 13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.789 2.196 10.897 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.495 1.919 11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.218 0.158 13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.680 1.614 12.920 1.00 0.00 H new ATOM 1180 N LYS A 77 2.720 2.589 14.515 1.00 0.00 N ATOM 1181 CA LYS A 77 3.775 2.484 15.529 1.00 0.00 C ATOM 1182 C LYS A 77 4.843 1.424 15.207 1.00 0.00 C ATOM 1183 O LYS A 77 5.793 1.285 15.980 1.00 0.00 O ATOM 1184 CB LYS A 77 3.159 2.285 16.936 1.00 0.00 C ATOM 1185 CG LYS A 77 3.976 3.043 17.998 1.00 0.00 C ATOM 1186 CD LYS A 77 3.634 2.701 19.452 1.00 0.00 C ATOM 1187 CE LYS A 77 4.401 3.653 20.383 1.00 0.00 C ATOM 1188 NZ LYS A 77 4.167 3.385 21.819 1.00 0.00 N ATOM 0 H LYS A 77 1.917 1.986 14.696 1.00 0.00 H new ATOM 0 HA LYS A 77 4.313 3.432 15.519 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.128 2.640 16.941 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.132 1.223 17.180 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.034 2.839 17.833 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.831 4.113 17.850 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.561 2.795 19.619 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.901 1.667 19.668 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.468 3.572 20.175 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.110 4.680 20.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.712 4.061 22.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.154 3.490 22.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.470 2.416 22.045 1.00 0.00 H new ATOM 1202 N ARG A 78 4.722 0.616 14.149 1.00 0.00 N ATOM 1203 CA ARG A 78 5.790 -0.310 13.754 1.00 0.00 C ATOM 1204 C ARG A 78 6.935 0.487 13.131 1.00 0.00 C ATOM 1205 O ARG A 78 6.682 1.427 12.377 1.00 0.00 O ATOM 1206 CB ARG A 78 5.254 -1.372 12.768 1.00 0.00 C ATOM 1207 CG ARG A 78 5.178 -2.768 13.404 1.00 0.00 C ATOM 1208 CD ARG A 78 6.552 -3.457 13.417 1.00 0.00 C ATOM 1209 NE ARG A 78 6.588 -4.617 14.327 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.533 -5.569 14.363 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.558 -5.558 13.518 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.440 -6.545 15.261 1.00 0.00 N ATOM 0 H ARG A 78 3.896 0.584 13.551 1.00 0.00 H new ATOM 0 HA ARG A 78 6.158 -0.837 14.634 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.263 -1.077 12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.899 -1.409 11.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.802 -2.684 14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.467 -3.382 12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.802 -3.782 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.314 -2.738 13.718 1.00 0.00 H new ATOM 0 HE ARG A 78 5.821 -4.704 14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.638 -4.815 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.265 -6.292 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.656 -6.565 15.913 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.152 -7.274 15.298 1.00 0.00 H new ATOM 1226 N LYS A 79 8.186 0.096 13.400 1.00 0.00 N ATOM 1227 CA LYS A 79 9.316 0.537 12.573 1.00 0.00 C ATOM 1228 C LYS A 79 9.160 -0.071 11.179 1.00 0.00 C ATOM 1229 O LYS A 79 8.328 -0.959 10.986 1.00 0.00 O ATOM 1230 CB LYS A 79 10.675 0.179 13.219 1.00 0.00 C ATOM 1231 CG LYS A 79 11.505 1.410 13.627 1.00 0.00 C ATOM 1232 CD LYS A 79 11.076 2.077 14.940 1.00 0.00 C ATOM 1233 CE LYS A 79 9.648 2.607 14.911 1.00 0.00 C ATOM 1234 NZ LYS A 79 9.260 3.140 16.220 1.00 0.00 N ATOM 0 H LYS A 79 8.440 -0.518 14.174 1.00 0.00 H new ATOM 0 HA LYS A 79 9.308 1.624 12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.498 -0.438 14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.254 -0.423 12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.550 1.112 13.713 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.449 2.148 12.827 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.172 1.357 15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.757 2.899 15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.561 3.388 14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.965 1.808 14.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.283 3.495 16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.322 2.386 16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.899 3.918 16.482 1.00 0.00 H new ATOM 1248 N GLY A 80 9.889 0.450 10.198 1.00 0.00 N ATOM 1249 CA GLY A 80 9.740 0.105 8.791 1.00 0.00 C ATOM 1250 C GLY A 80 8.496 0.747 8.185 1.00 0.00 C ATOM 1251 O GLY A 80 8.562 1.264 7.079 1.00 0.00 O ATOM 0 H GLY A 80 10.619 1.142 10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.623 0.430 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.679 -0.978 8.686 1.00 0.00 H new ATOM 1255 N PHE A 81 7.365 0.778 8.898 1.00 0.00 N ATOM 1256 CA PHE A 81 6.109 1.321 8.389 1.00 0.00 C ATOM 1257 C PHE A 81 6.251 2.806 8.036 1.00 0.00 C ATOM 1258 O PHE A 81 5.675 3.261 7.053 1.00 0.00 O ATOM 1259 CB PHE A 81 5.000 1.108 9.430 1.00 0.00 C ATOM 1260 CG PHE A 81 3.589 1.168 8.868 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.001 2.404 8.555 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.844 -0.008 8.674 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.695 2.468 8.049 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.535 0.054 8.163 1.00 0.00 C ATOM 1265 CZ PHE A 81 0.968 1.294 7.834 1.00 0.00 C ATOM 0 H PHE A 81 7.299 0.423 9.852 1.00 0.00 H new ATOM 0 HA PHE A 81 5.843 0.794 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.147 0.139 9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.100 1.864 10.209 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.561 3.315 8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.279 -0.965 8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.250 3.426 7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.966 -0.854 8.024 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.027 1.341 7.416 1.00 0.00 H new ATOM 1275 N ASN A 82 7.006 3.569 8.834 1.00 0.00 N ATOM 1276 CA ASN A 82 7.256 4.992 8.590 1.00 0.00 C ATOM 1277 C ASN A 82 7.997 5.177 7.269 1.00 0.00 C ATOM 1278 O ASN A 82 7.598 5.972 6.423 1.00 0.00 O ATOM 1279 CB ASN A 82 8.054 5.598 9.762 1.00 0.00 C ATOM 1280 CG ASN A 82 7.282 6.696 10.475 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.480 7.884 10.253 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.329 6.340 11.318 1.00 0.00 N ATOM 0 H ASN A 82 7.464 3.213 9.673 1.00 0.00 H new ATOM 0 HA ASN A 82 6.302 5.515 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.305 4.811 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.995 6.002 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.764 7.053 11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.159 5.352 11.508 1.00 0.00 H new ATOM 1289 N GLU A 83 9.058 4.399 7.100 1.00 0.00 N ATOM 1290 CA GLU A 83 9.961 4.426 5.961 1.00 0.00 C ATOM 1291 C GLU A 83 9.237 3.957 4.692 1.00 0.00 C ATOM 1292 O GLU A 83 9.407 4.547 3.624 1.00 0.00 O ATOM 1293 CB GLU A 83 11.165 3.546 6.333 1.00 0.00 C ATOM 1294 CG GLU A 83 11.968 4.196 7.477 1.00 0.00 C ATOM 1295 CD GLU A 83 12.951 3.230 8.132 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.761 2.588 7.430 1.00 0.00 O ATOM 1297 OE2 GLU A 83 12.888 3.088 9.381 1.00 0.00 O ATOM 0 H GLU A 83 9.324 3.697 7.790 1.00 0.00 H new ATOM 0 HA GLU A 83 10.309 5.434 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.822 2.557 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.806 3.407 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.514 5.056 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.277 4.572 8.232 1.00 0.00 H new ATOM 1304 N GLY A 84 8.370 2.950 4.825 1.00 0.00 N ATOM 1305 CA GLY A 84 7.562 2.411 3.746 1.00 0.00 C ATOM 1306 C GLY A 84 6.439 3.362 3.345 1.00 0.00 C ATOM 1307 O GLY A 84 6.077 3.415 2.170 1.00 0.00 O ATOM 0 H GLY A 84 8.212 2.478 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.196 2.213 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.136 1.456 4.054 1.00 0.00 H new ATOM 1311 N LEU A 85 5.880 4.129 4.290 1.00 0.00 N ATOM 1312 CA LEU A 85 4.918 5.175 3.976 1.00 0.00 C ATOM 1313 C LEU A 85 5.572 6.306 3.182 1.00 0.00 C ATOM 1314 O LEU A 85 4.901 6.886 2.329 1.00 0.00 O ATOM 1315 CB LEU A 85 4.299 5.758 5.255 1.00 0.00 C ATOM 1316 CG LEU A 85 3.070 5.038 5.843 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.480 6.005 6.872 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.968 4.657 4.843 1.00 0.00 C ATOM 0 H LEU A 85 6.085 4.037 5.285 1.00 0.00 H new ATOM 0 HA LEU A 85 4.135 4.717 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.073 5.783 6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.018 6.791 5.052 1.00 0.00 H new ATOM 0 HG LEU A 85 3.412 4.085 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.599 5.555 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.223 6.215 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.197 6.934 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.155 4.157 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.588 5.557 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.378 3.986 4.088 1.00 0.00 H new ATOM 1330 N TRP A 86 6.832 6.642 3.467 1.00 0.00 N ATOM 1331 CA TRP A 86 7.582 7.624 2.694 1.00 0.00 C ATOM 1332 C TRP A 86 7.823 7.088 1.281 1.00 0.00 C ATOM 1333 O TRP A 86 7.633 7.830 0.317 1.00 0.00 O ATOM 1334 CB TRP A 86 8.887 7.963 3.430 1.00 0.00 C ATOM 1335 CG TRP A 86 9.662 9.110 2.868 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.636 10.394 3.288 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.565 9.089 1.733 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.482 11.155 2.506 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.072 10.400 1.517 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.960 8.081 0.839 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.923 10.694 0.443 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.798 8.363 -0.256 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.284 9.668 -0.449 1.00 0.00 C ATOM 0 H TRP A 86 7.358 6.238 4.242 1.00 0.00 H new ATOM 0 HA TRP A 86 7.015 8.549 2.595 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.650 8.182 4.471 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.525 7.080 3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.044 10.768 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.649 12.152 2.644 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.614 7.070 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.297 11.697 0.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.067 7.578 -0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.935 9.883 -1.283 1.00 0.00 H new ATOM 1354 N GLU A 87 8.210 5.812 1.162 1.00 0.00 N ATOM 1355 CA GLU A 87 8.481 5.156 -0.110 1.00 0.00 C ATOM 1356 C GLU A 87 7.244 5.137 -0.995 1.00 0.00 C ATOM 1357 O GLU A 87 7.321 5.595 -2.130 1.00 0.00 O ATOM 1358 CB GLU A 87 8.980 3.721 0.105 1.00 0.00 C ATOM 1359 CG GLU A 87 10.502 3.627 0.041 1.00 0.00 C ATOM 1360 CD GLU A 87 10.977 2.175 0.046 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.580 1.409 0.951 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.695 1.833 -0.921 1.00 0.00 O ATOM 0 H GLU A 87 8.344 5.200 1.967 1.00 0.00 H new ATOM 0 HA GLU A 87 9.261 5.731 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.635 3.359 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.545 3.069 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.860 4.124 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.936 4.155 0.890 1.00 0.00 H new ATOM 1369 N ILE A 88 6.114 4.602 -0.521 1.00 0.00 N ATOM 1370 CA ILE A 88 4.942 4.409 -1.376 1.00 0.00 C ATOM 1371 C ILE A 88 4.417 5.750 -1.909 1.00 0.00 C ATOM 1372 O ILE A 88 3.854 5.818 -3.001 1.00 0.00 O ATOM 1373 CB ILE A 88 3.873 3.590 -0.623 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.822 3.029 -1.603 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.211 4.406 0.504 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.025 1.859 -1.020 1.00 0.00 C ATOM 0 H ILE A 88 5.988 4.297 0.444 1.00 0.00 H new ATOM 0 HA ILE A 88 5.226 3.833 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 88 4.378 2.748 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.134 3.826 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.322 2.703 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.465 3.792 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.970 4.717 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.729 5.287 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.302 1.508 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.705 1.047 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.499 2.188 -0.124 1.00 0.00 H new ATOM 1388 N GLU A 89 4.625 6.836 -1.166 1.00 0.00 N ATOM 1389 CA GLU A 89 4.368 8.180 -1.645 1.00 0.00 C ATOM 1390 C GLU A 89 5.321 8.488 -2.798 1.00 0.00 C ATOM 1391 O GLU A 89 4.881 8.718 -3.926 1.00 0.00 O ATOM 1392 CB GLU A 89 4.522 9.169 -0.485 1.00 0.00 C ATOM 1393 CG GLU A 89 3.281 9.167 0.408 1.00 0.00 C ATOM 1394 CD GLU A 89 3.383 10.170 1.561 1.00 0.00 C ATOM 1395 OE1 GLU A 89 4.433 10.242 2.243 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.368 10.871 1.775 1.00 0.00 O ATOM 0 H GLU A 89 4.979 6.801 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 89 3.349 8.270 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.400 8.907 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.690 10.172 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.404 9.401 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.132 8.166 0.814 1.00 0.00 H new ATOM 1403 N ASN A 90 6.625 8.439 -2.530 1.00 0.00 N ATOM 1404 CA ASN A 90 7.696 8.778 -3.467 1.00 0.00 C ATOM 1405 C ASN A 90 8.016 7.623 -4.414 1.00 0.00 C ATOM 1406 O ASN A 90 9.178 7.313 -4.696 1.00 0.00 O ATOM 1407 CB ASN A 90 8.922 9.260 -2.688 1.00 0.00 C ATOM 1408 CG ASN A 90 8.623 10.570 -1.982 1.00 0.00 C ATOM 1409 OD1 ASN A 90 7.979 11.459 -2.543 1.00 0.00 O ATOM 1410 ND2 ASN A 90 9.024 10.705 -0.736 1.00 0.00 N ATOM 0 H ASN A 90 6.979 8.151 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 90 7.359 9.593 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.216 8.506 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.764 9.391 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.803 11.556 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.556 9.959 -0.288 1.00 0.00 H new ATOM 1417 N SER A 91 6.962 6.988 -4.916 1.00 0.00 N ATOM 1418 CA SER A 91 6.984 5.865 -5.830 1.00 0.00 C ATOM 1419 C SER A 91 6.084 6.165 -7.037 1.00 0.00 C ATOM 1420 O SER A 91 6.272 5.572 -8.102 1.00 0.00 O ATOM 1421 CB SER A 91 6.578 4.627 -5.015 1.00 0.00 C ATOM 1422 OG SER A 91 6.533 3.425 -5.751 1.00 0.00 O ATOM 0 H SER A 91 6.011 7.267 -4.676 1.00 0.00 H new ATOM 0 HA SER A 91 7.969 5.677 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.280 4.506 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.597 4.804 -4.575 1.00 0.00 H new ATOM 0 HG SER A 91 6.569 2.663 -5.136 1.00 0.00 H new ATOM 1428 N GLY A 92 5.152 7.120 -6.938 1.00 0.00 N ATOM 1429 CA GLY A 92 4.312 7.607 -8.021 1.00 0.00 C ATOM 1430 C GLY A 92 4.539 9.108 -8.204 1.00 0.00 C ATOM 1431 O GLY A 92 5.584 9.613 -7.791 1.00 0.00 O ATOM 0 H GLY A 92 4.959 7.592 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.547 7.077 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.263 7.411 -7.799 1.00 0.00 H new ATOM 1435 N PRO A 93 3.630 9.831 -8.876 1.00 0.00 N ATOM 1436 CA PRO A 93 3.764 11.265 -9.071 1.00 0.00 C ATOM 1437 C PRO A 93 3.577 11.982 -7.738 1.00 0.00 C ATOM 1438 O PRO A 93 2.633 11.676 -7.006 1.00 0.00 O ATOM 1439 CB PRO A 93 2.659 11.652 -10.054 1.00 0.00 C ATOM 1440 CG PRO A 93 1.599 10.557 -9.910 1.00 0.00 C ATOM 1441 CD PRO A 93 2.358 9.341 -9.375 1.00 0.00 C ATOM 0 HA PRO A 93 4.747 11.541 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.247 12.633 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.038 11.702 -11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.808 10.861 -9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.126 10.337 -10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.794 8.851 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.509 8.602 -10.162 1.00 0.00 H new ATOM 1449 N SER A 94 4.409 12.980 -7.447 1.00 0.00 N ATOM 1450 CA SER A 94 4.132 13.919 -6.375 1.00 0.00 C ATOM 1451 C SER A 94 4.799 15.260 -6.673 1.00 0.00 C ATOM 1452 O SER A 94 5.743 15.344 -7.468 1.00 0.00 O ATOM 1453 CB SER A 94 4.586 13.336 -5.030 1.00 0.00 C ATOM 1454 OG SER A 94 3.898 14.018 -4.006 1.00 0.00 O ATOM 0 H SER A 94 5.282 13.155 -7.944 1.00 0.00 H new ATOM 0 HA SER A 94 3.058 14.092 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.373 12.268 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.663 13.452 -4.908 1.00 0.00 H new ATOM 0 HG SER A 94 4.171 13.661 -3.135 1.00 0.00 H new ATOM 1460 N SER A 95 4.296 16.311 -6.034 1.00 0.00 N ATOM 1461 CA SER A 95 4.790 17.678 -6.111 1.00 0.00 C ATOM 1462 C SER A 95 4.636 18.444 -4.788 1.00 0.00 C ATOM 1463 O SER A 95 5.373 19.409 -4.587 1.00 0.00 O ATOM 1464 CB SER A 95 4.040 18.408 -7.226 1.00 0.00 C ATOM 1465 OG SER A 95 4.437 17.941 -8.512 1.00 0.00 O ATOM 0 H SER A 95 3.489 16.226 -5.416 1.00 0.00 H new ATOM 0 HA SER A 95 5.858 17.636 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.967 18.263 -7.100 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.228 19.479 -7.152 1.00 0.00 H new ATOM 0 HG SER A 95 3.939 18.425 -9.204 1.00 0.00 H new ATOM 1471 N GLY A 96 3.742 18.027 -3.884 1.00 0.00 N ATOM 1472 CA GLY A 96 3.514 18.672 -2.595 1.00 0.00 C ATOM 1473 C GLY A 96 2.142 19.315 -2.537 1.00 0.00 C ATOM 1474 O GLY A 96 1.938 20.194 -1.673 1.00 0.00 O ATOM 0 H GLY A 96 3.146 17.213 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.608 17.936 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.280 19.428 -2.423 1.00 0.00 H new TER 1478 GLY A 96