USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 77 GLN : amide:sc= 1.29 K(o=2.3,f=-0.095) USER MOD Set 1.2: A 88 ASN : amide:sc= 1.03 K(o=2.3,f=-3.2!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -156:sc= 2.23 (180deg=0.731) USER MOD Set 2.2: A 38 TYR OH : rot 30:sc= 0.983 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.98) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.346 K(o=0.35,f=-4.4!) USER MOD Single : A 36 ASN : amide:sc= -0.212 K(o=-0.21,f=-2!) USER MOD Single : A 39 GLN : amide:sc= 0.776 K(o=0.78,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 139:sc= -0.482 (180deg=-4.44!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 50 THR OG1 : rot 75:sc= -0.452! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.23) USER MOD Single : A 59 SER OG : rot -41:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 87:sc= 1.28 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.181 USER MOD Single : A 86 HIS : no HE2:sc= 0.726 K(o=0.73,f=-2.9!) USER MOD Single : A 91 MET CE :methyl 151:sc= -0.0883 (180deg=-0.63) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 113 MET CE :methyl 169:sc= 0 (180deg=-0.132) USER MOD Single : A 114 ASN : amide:sc= 0.52 K(o=0.52,f=-4.9!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl 158:sc= -0.918! (180deg=-2.23!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 119 LYS NZ :NH3+ -102:sc= 1.21 (180deg=-0.447) USER MOD Single : A 120 MET CE :methyl -154:sc= -0.388 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 3.726 20.755 5.630 1.00 0.00 N ATOM 2 CA GLY A 26 4.356 19.535 6.226 1.00 0.00 C ATOM 3 C GLY A 26 3.777 18.249 5.660 1.00 0.00 C ATOM 4 O GLY A 26 4.192 17.146 6.030 1.00 0.00 O ATOM 0 HA2 GLY A 26 5.430 19.558 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.216 19.548 7.307 1.00 0.00 H new ATOM 7 N ALA A 27 2.820 18.396 4.752 1.00 0.00 N ATOM 8 CA ALA A 27 2.167 17.251 4.120 1.00 0.00 C ATOM 9 C ALA A 27 2.990 16.713 2.946 1.00 0.00 C ATOM 10 O ALA A 27 2.640 16.907 1.780 1.00 0.00 O ATOM 11 CB ALA A 27 0.768 17.635 3.660 1.00 0.00 C ATOM 0 H ALA A 27 2.476 19.302 4.434 1.00 0.00 H new ATOM 0 HA ALA A 27 2.091 16.455 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.290 16.775 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.177 17.954 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.833 18.451 2.941 1.00 0.00 H new ATOM 17 N MET A 28 4.086 16.031 3.264 1.00 0.00 N ATOM 18 CA MET A 28 4.962 15.462 2.242 1.00 0.00 C ATOM 19 C MET A 28 4.701 13.965 2.054 1.00 0.00 C ATOM 20 O MET A 28 4.128 13.308 2.924 1.00 0.00 O ATOM 21 CB MET A 28 6.431 15.698 2.606 1.00 0.00 C ATOM 22 CG MET A 28 6.799 15.238 4.008 1.00 0.00 C ATOM 23 SD MET A 28 8.550 14.847 4.175 1.00 0.00 S ATOM 24 CE MET A 28 8.863 15.397 5.849 1.00 0.00 C ATOM 0 H MET A 28 4.390 15.858 4.222 1.00 0.00 H new ATOM 0 HA MET A 28 4.743 15.965 1.300 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.062 15.177 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.652 16.761 2.513 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.535 16.018 4.723 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.209 14.358 4.264 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.909 15.221 6.100 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.645 16.462 5.929 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.226 14.844 6.539 1.00 0.00 H new ATOM 34 N GLY A 29 5.124 13.434 0.911 1.00 0.00 N ATOM 35 CA GLY A 29 4.932 12.021 0.630 1.00 0.00 C ATOM 36 C GLY A 29 6.099 11.161 1.081 1.00 0.00 C ATOM 37 O GLY A 29 7.122 11.671 1.539 1.00 0.00 O ATOM 0 H GLY A 29 5.597 13.957 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.023 11.678 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.782 11.887 -0.441 1.00 0.00 H new ATOM 41 N GLN A 30 5.947 9.850 0.945 1.00 0.00 N ATOM 42 CA GLN A 30 6.989 8.910 1.344 1.00 0.00 C ATOM 43 C GLN A 30 7.478 8.089 0.151 1.00 0.00 C ATOM 44 O GLN A 30 6.686 7.493 -0.581 1.00 0.00 O ATOM 45 CB GLN A 30 6.476 7.978 2.444 1.00 0.00 C ATOM 46 CG GLN A 30 7.375 7.934 3.671 1.00 0.00 C ATOM 47 CD GLN A 30 6.855 6.997 4.746 1.00 0.00 C ATOM 48 OE1 GLN A 30 6.033 7.377 5.573 1.00 0.00 O ATOM 49 NE2 GLN A 30 7.333 5.763 4.740 1.00 0.00 N ATOM 0 H GLN A 30 5.110 9.412 0.560 1.00 0.00 H new ATOM 0 HA GLN A 30 7.829 9.488 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.479 8.299 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.378 6.971 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.375 7.618 3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.468 8.938 4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.016 5.484 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.018 5.091 5.440 1.00 0.00 H new ATOM 58 N LYS A 31 8.791 8.063 -0.035 1.00 0.00 N ATOM 59 CA LYS A 31 9.395 7.313 -1.130 1.00 0.00 C ATOM 60 C LYS A 31 9.675 5.874 -0.706 1.00 0.00 C ATOM 61 O LYS A 31 10.317 5.632 0.317 1.00 0.00 O ATOM 62 CB LYS A 31 10.694 7.986 -1.581 1.00 0.00 C ATOM 63 CG LYS A 31 10.689 8.407 -3.042 1.00 0.00 C ATOM 64 CD LYS A 31 11.778 9.428 -3.332 1.00 0.00 C ATOM 65 CE LYS A 31 11.203 10.828 -3.481 1.00 0.00 C ATOM 66 NZ LYS A 31 12.272 11.865 -3.525 1.00 0.00 N ATOM 0 H LYS A 31 9.460 8.553 0.559 1.00 0.00 H new ATOM 0 HA LYS A 31 8.693 7.301 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.873 8.864 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.525 7.301 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.832 7.531 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.717 8.828 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.511 9.419 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.305 9.151 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.608 10.881 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.530 11.035 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.840 12.805 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.824 11.832 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.899 11.683 -4.334 1.00 0.00 H new ATOM 80 N ALA A 32 9.179 4.922 -1.488 1.00 0.00 N ATOM 81 CA ALA A 32 9.383 3.508 -1.190 1.00 0.00 C ATOM 82 C ALA A 32 10.836 3.098 -1.430 1.00 0.00 C ATOM 83 O ALA A 32 11.519 3.667 -2.284 1.00 0.00 O ATOM 84 CB ALA A 32 8.445 2.654 -2.029 1.00 0.00 C ATOM 0 H ALA A 32 8.634 5.102 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 32 9.159 3.347 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.607 1.601 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.412 2.920 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.643 2.828 -3.087 1.00 0.00 H new ATOM 90 N GLN A 33 11.304 2.107 -0.681 1.00 0.00 N ATOM 91 CA GLN A 33 12.680 1.643 -0.814 1.00 0.00 C ATOM 92 C GLN A 33 12.840 0.718 -2.023 1.00 0.00 C ATOM 93 O GLN A 33 11.993 -0.137 -2.292 1.00 0.00 O ATOM 94 CB GLN A 33 13.142 0.940 0.471 1.00 0.00 C ATOM 95 CG GLN A 33 12.511 -0.423 0.706 1.00 0.00 C ATOM 96 CD GLN A 33 12.805 -0.973 2.088 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.958 -1.159 2.465 1.00 0.00 O ATOM 98 NE2 GLN A 33 11.759 -1.237 2.855 1.00 0.00 N ATOM 0 H GLN A 33 10.755 1.611 0.021 1.00 0.00 H new ATOM 0 HA GLN A 33 13.312 2.516 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.225 0.824 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.917 1.582 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.432 -0.347 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.878 -1.123 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.815 -1.069 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.897 -1.608 3.795 1.00 0.00 H new ATOM 107 N GLN A 34 13.927 0.913 -2.760 1.00 0.00 N ATOM 108 CA GLN A 34 14.209 0.107 -3.944 1.00 0.00 C ATOM 109 C GLN A 34 15.122 -1.069 -3.600 1.00 0.00 C ATOM 110 O GLN A 34 16.281 -0.883 -3.229 1.00 0.00 O ATOM 111 CB GLN A 34 14.853 0.967 -5.036 1.00 0.00 C ATOM 112 CG GLN A 34 14.256 2.363 -5.157 1.00 0.00 C ATOM 113 CD GLN A 34 15.129 3.428 -4.518 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.465 3.349 -3.338 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.500 4.434 -5.292 1.00 0.00 N ATOM 0 H GLN A 34 14.630 1.624 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 34 13.263 -0.287 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.920 1.056 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.753 0.456 -5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.110 2.602 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.272 2.375 -4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.201 4.465 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.085 5.179 -4.914 1.00 0.00 H new ATOM 124 N LYS A 35 14.589 -2.278 -3.720 1.00 0.00 N ATOM 125 CA LYS A 35 15.352 -3.490 -3.432 1.00 0.00 C ATOM 126 C LYS A 35 16.008 -4.043 -4.702 1.00 0.00 C ATOM 127 O LYS A 35 16.234 -3.313 -5.669 1.00 0.00 O ATOM 128 CB LYS A 35 14.441 -4.554 -2.807 1.00 0.00 C ATOM 129 CG LYS A 35 13.593 -4.043 -1.655 1.00 0.00 C ATOM 130 CD LYS A 35 14.134 -4.513 -0.313 1.00 0.00 C ATOM 131 CE LYS A 35 13.030 -4.624 0.726 1.00 0.00 C ATOM 132 NZ LYS A 35 12.635 -6.039 0.977 1.00 0.00 N ATOM 0 H LYS A 35 13.628 -2.448 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 35 16.140 -3.233 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.784 -4.953 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.056 -5.381 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.567 -2.954 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.566 -4.389 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.619 -5.481 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.896 -3.816 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.364 -4.171 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.160 -4.059 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.663 -6.068 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.683 -6.576 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.282 -6.462 1.672 1.00 0.00 H new ATOM 146 N ASN A 36 16.299 -5.341 -4.702 1.00 0.00 N ATOM 147 CA ASN A 36 16.935 -5.985 -5.850 1.00 0.00 C ATOM 148 C ASN A 36 15.914 -6.383 -6.922 1.00 0.00 C ATOM 149 O ASN A 36 15.548 -7.552 -7.042 1.00 0.00 O ATOM 150 CB ASN A 36 17.720 -7.217 -5.393 1.00 0.00 C ATOM 151 CG ASN A 36 19.175 -7.167 -5.821 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.548 -6.410 -6.712 1.00 0.00 O ATOM 153 ND2 ASN A 36 20.006 -7.980 -5.188 1.00 0.00 N ATOM 0 H ASN A 36 16.105 -5.968 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 36 17.617 -5.261 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.666 -7.297 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.254 -8.114 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.995 -7.992 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.657 -8.595 -4.453 1.00 0.00 H new ATOM 160 N GLY A 37 15.450 -5.402 -7.693 1.00 0.00 N ATOM 161 CA GLY A 37 14.495 -5.678 -8.757 1.00 0.00 C ATOM 162 C GLY A 37 13.057 -5.312 -8.414 1.00 0.00 C ATOM 163 O GLY A 37 12.202 -5.273 -9.296 1.00 0.00 O ATOM 0 H GLY A 37 15.717 -4.422 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.795 -5.130 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.539 -6.739 -9.004 1.00 0.00 H new ATOM 167 N TYR A 38 12.787 -5.041 -7.141 1.00 0.00 N ATOM 168 CA TYR A 38 11.434 -4.687 -6.706 1.00 0.00 C ATOM 169 C TYR A 38 11.460 -3.580 -5.651 1.00 0.00 C ATOM 170 O TYR A 38 12.513 -3.252 -5.113 1.00 0.00 O ATOM 171 CB TYR A 38 10.707 -5.927 -6.157 1.00 0.00 C ATOM 172 CG TYR A 38 11.243 -6.439 -4.833 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.366 -7.256 -4.780 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.619 -6.107 -3.637 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.851 -7.726 -3.573 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.099 -6.573 -2.427 1.00 0.00 C ATOM 177 CZ TYR A 38 12.213 -7.382 -2.401 1.00 0.00 C ATOM 178 OH TYR A 38 12.693 -7.844 -1.195 1.00 0.00 O ATOM 0 H TYR A 38 13.481 -5.059 -6.394 1.00 0.00 H new ATOM 0 HA TYR A 38 10.892 -4.312 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.650 -5.689 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.773 -6.727 -6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.868 -7.528 -5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.744 -5.474 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.725 -8.359 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.603 -6.304 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 38 13.664 -7.966 -1.254 1.00 0.00 H new ATOM 188 N GLN A 39 10.299 -2.996 -5.367 1.00 0.00 N ATOM 189 CA GLN A 39 10.206 -1.933 -4.365 1.00 0.00 C ATOM 190 C GLN A 39 9.340 -2.365 -3.183 1.00 0.00 C ATOM 191 O GLN A 39 8.468 -3.227 -3.319 1.00 0.00 O ATOM 192 CB GLN A 39 9.644 -0.641 -4.968 1.00 0.00 C ATOM 193 CG GLN A 39 9.769 -0.552 -6.479 1.00 0.00 C ATOM 194 CD GLN A 39 10.289 0.795 -6.942 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.537 1.757 -7.057 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.581 0.871 -7.215 1.00 0.00 N ATOM 0 H GLN A 39 9.414 -3.237 -5.812 1.00 0.00 H new ATOM 0 HA GLN A 39 11.219 -1.740 -4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.592 -0.554 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.160 0.209 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.439 -1.337 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.795 -0.737 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.174 0.048 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.984 1.752 -7.534 1.00 0.00 H new ATOM 205 N GLU A 40 9.580 -1.754 -2.029 1.00 0.00 N ATOM 206 CA GLU A 40 8.833 -2.085 -0.816 1.00 0.00 C ATOM 207 C GLU A 40 8.613 -0.852 0.063 1.00 0.00 C ATOM 208 O GLU A 40 9.486 0.006 0.183 1.00 0.00 O ATOM 209 CB GLU A 40 9.586 -3.160 -0.028 1.00 0.00 C ATOM 210 CG GLU A 40 8.738 -3.894 0.998 1.00 0.00 C ATOM 211 CD GLU A 40 9.562 -4.447 2.144 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.037 -5.602 2.033 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.739 -3.728 3.150 1.00 0.00 O ATOM 0 H GLU A 40 10.285 -1.027 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 40 7.854 -2.461 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.997 -3.887 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.430 -2.696 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.982 -3.215 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.208 -4.711 0.509 1.00 0.00 H new ATOM 220 N ILE A 41 7.440 -0.773 0.676 1.00 0.00 N ATOM 221 CA ILE A 41 7.108 0.347 1.557 1.00 0.00 C ATOM 222 C ILE A 41 6.270 -0.120 2.750 1.00 0.00 C ATOM 223 O ILE A 41 5.276 -0.832 2.588 1.00 0.00 O ATOM 224 CB ILE A 41 6.356 1.477 0.801 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.791 2.508 1.781 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.238 0.906 -0.056 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.438 3.875 1.680 1.00 0.00 C ATOM 0 H ILE A 41 6.700 -1.469 0.582 1.00 0.00 H new ATOM 0 HA ILE A 41 8.053 0.750 1.921 1.00 0.00 H new ATOM 0 HB ILE A 41 7.074 1.974 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.720 2.611 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.914 2.133 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.727 1.717 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.657 0.214 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.527 0.376 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.982 4.548 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.505 3.789 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.292 4.273 0.676 1.00 0.00 H new ATOM 239 N ARG A 42 6.690 0.268 3.952 1.00 0.00 N ATOM 240 CA ARG A 42 5.973 -0.102 5.166 1.00 0.00 C ATOM 241 C ARG A 42 4.942 0.961 5.540 1.00 0.00 C ATOM 242 O ARG A 42 5.288 2.071 5.950 1.00 0.00 O ATOM 243 CB ARG A 42 6.950 -0.321 6.323 1.00 0.00 C ATOM 244 CG ARG A 42 6.716 -1.625 7.067 1.00 0.00 C ATOM 245 CD ARG A 42 7.655 -1.771 8.253 1.00 0.00 C ATOM 246 NE ARG A 42 7.030 -2.496 9.356 1.00 0.00 N ATOM 247 CZ ARG A 42 7.668 -3.354 10.136 1.00 0.00 C ATOM 248 NH1 ARG A 42 8.944 -3.597 9.961 1.00 0.00 N ATOM 249 NH2 ARG A 42 7.024 -3.970 11.096 1.00 0.00 N ATOM 0 H ARG A 42 7.522 0.837 4.109 1.00 0.00 H new ATOM 0 HA ARG A 42 5.446 -1.036 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.969 -0.309 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.865 0.510 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.683 -1.666 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.858 -2.464 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.558 -2.295 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.963 -0.783 8.596 1.00 0.00 H new ATOM 0 HE ARG A 42 6.040 -2.331 9.537 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.456 -3.123 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.425 -4.260 10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.031 -3.788 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.516 -4.631 11.697 1.00 0.00 H new ATOM 263 N VAL A 43 3.673 0.607 5.393 1.00 0.00 N ATOM 264 CA VAL A 43 2.572 1.509 5.704 1.00 0.00 C ATOM 265 C VAL A 43 1.976 1.178 7.072 1.00 0.00 C ATOM 266 O VAL A 43 1.255 0.190 7.232 1.00 0.00 O ATOM 267 CB VAL A 43 1.476 1.436 4.614 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.359 2.433 4.882 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.081 1.684 3.243 1.00 0.00 C ATOM 0 H VAL A 43 3.378 -0.310 5.056 1.00 0.00 H new ATOM 0 HA VAL A 43 2.966 2.525 5.730 1.00 0.00 H new ATOM 0 HB VAL A 43 1.046 0.435 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.394 2.355 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.099 2.216 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.768 3.443 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.299 1.630 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.540 2.673 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.839 0.928 3.037 1.00 0.00 H new ATOM 279 N GLU A 44 2.303 2.003 8.062 1.00 0.00 N ATOM 280 CA GLU A 44 1.807 1.806 9.422 1.00 0.00 C ATOM 281 C GLU A 44 0.324 2.171 9.519 1.00 0.00 C ATOM 282 O GLU A 44 -0.062 3.325 9.313 1.00 0.00 O ATOM 283 CB GLU A 44 2.626 2.637 10.414 1.00 0.00 C ATOM 284 CG GLU A 44 2.571 2.113 11.841 1.00 0.00 C ATOM 285 CD GLU A 44 3.803 1.312 12.219 1.00 0.00 C ATOM 286 OE1 GLU A 44 3.809 0.085 11.981 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.761 1.910 12.753 1.00 0.00 O ATOM 0 H GLU A 44 2.910 2.815 7.949 1.00 0.00 H new ATOM 0 HA GLU A 44 1.916 0.751 9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.665 2.660 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.264 3.665 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.464 2.952 12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.686 1.488 11.960 1.00 0.00 H new ATOM 294 N VAL A 45 -0.493 1.174 9.842 1.00 0.00 N ATOM 295 CA VAL A 45 -1.934 1.351 9.953 1.00 0.00 C ATOM 296 C VAL A 45 -2.360 1.566 11.411 1.00 0.00 C ATOM 297 O VAL A 45 -2.488 0.618 12.193 1.00 0.00 O ATOM 298 CB VAL A 45 -2.672 0.129 9.348 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.144 0.113 9.723 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.518 0.116 7.835 1.00 0.00 C ATOM 0 H VAL A 45 -0.175 0.224 10.033 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.208 2.244 9.391 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.215 -0.768 9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.623 -0.759 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.243 0.068 10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.624 1.019 9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.041 -0.747 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.942 1.030 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.461 0.056 7.577 1.00 0.00 H new ATOM 310 N MET A 46 -2.554 2.828 11.772 1.00 0.00 N ATOM 311 CA MET A 46 -2.976 3.194 13.127 1.00 0.00 C ATOM 312 C MET A 46 -4.011 4.320 13.077 1.00 0.00 C ATOM 313 O MET A 46 -3.687 5.494 13.246 1.00 0.00 O ATOM 314 CB MET A 46 -1.768 3.615 13.972 1.00 0.00 C ATOM 315 CG MET A 46 -0.798 4.526 13.235 1.00 0.00 C ATOM 316 SD MET A 46 0.509 5.172 14.300 1.00 0.00 S ATOM 317 CE MET A 46 1.234 3.659 14.923 1.00 0.00 C ATOM 0 H MET A 46 -2.426 3.622 11.145 1.00 0.00 H new ATOM 0 HA MET A 46 -3.434 2.321 13.593 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.122 4.124 14.869 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.236 2.722 14.301 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.347 3.976 12.409 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.350 5.359 12.800 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.319 3.757 14.942 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.869 3.469 15.932 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.956 2.828 14.275 1.00 0.00 H new ATOM 327 N GLY A 47 -5.266 3.949 12.836 1.00 0.00 N ATOM 328 CA GLY A 47 -6.326 4.939 12.731 1.00 0.00 C ATOM 329 C GLY A 47 -6.457 5.454 11.306 1.00 0.00 C ATOM 330 O GLY A 47 -7.398 6.171 10.969 1.00 0.00 O ATOM 0 H GLY A 47 -5.568 2.983 12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.271 4.499 13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.118 5.771 13.404 1.00 0.00 H new ATOM 334 N GLY A 48 -5.492 5.068 10.480 1.00 0.00 N ATOM 335 CA GLY A 48 -5.466 5.461 9.087 1.00 0.00 C ATOM 336 C GLY A 48 -4.174 5.032 8.418 1.00 0.00 C ATOM 337 O GLY A 48 -3.544 4.064 8.846 1.00 0.00 O ATOM 0 H GLY A 48 -4.711 4.476 10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.313 5.016 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.576 6.543 9.010 1.00 0.00 H new ATOM 341 N TYR A 49 -3.772 5.749 7.379 1.00 0.00 N ATOM 342 CA TYR A 49 -2.537 5.427 6.666 1.00 0.00 C ATOM 343 C TYR A 49 -1.440 6.431 7.014 1.00 0.00 C ATOM 344 O TYR A 49 -1.637 7.639 6.883 1.00 0.00 O ATOM 345 CB TYR A 49 -2.790 5.418 5.155 1.00 0.00 C ATOM 346 CG TYR A 49 -3.912 4.493 4.734 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.825 3.121 4.941 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.062 4.994 4.137 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.851 2.277 4.563 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.092 4.156 3.757 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.983 2.800 3.973 1.00 0.00 C ATOM 352 OH TYR A 49 -7.011 1.963 3.595 1.00 0.00 O ATOM 0 H TYR A 49 -4.277 6.554 7.010 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.205 4.435 6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.024 6.431 4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.874 5.121 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.941 2.709 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.152 6.057 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.767 1.213 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.979 4.562 3.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.733 2.492 3.196 1.00 0.00 H new ATOM 362 N THR A 50 -0.288 5.932 7.468 1.00 0.00 N ATOM 363 CA THR A 50 0.828 6.806 7.838 1.00 0.00 C ATOM 364 C THR A 50 1.379 7.561 6.616 1.00 0.00 C ATOM 365 O THR A 50 1.298 8.789 6.573 1.00 0.00 O ATOM 366 CB THR A 50 1.951 6.034 8.569 1.00 0.00 C ATOM 367 OG1 THR A 50 1.475 5.573 9.839 1.00 0.00 O ATOM 368 CG2 THR A 50 3.182 6.910 8.773 1.00 0.00 C ATOM 0 H THR A 50 -0.104 4.936 7.588 1.00 0.00 H new ATOM 0 HA THR A 50 0.435 7.543 8.538 1.00 0.00 H new ATOM 0 HB THR A 50 2.235 5.183 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.882 4.804 9.707 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.953 6.339 9.289 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.560 7.238 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.914 7.781 9.371 1.00 0.00 H new ATOM 376 N PRO A 51 1.959 6.869 5.602 1.00 0.00 N ATOM 377 CA PRO A 51 2.449 7.548 4.402 1.00 0.00 C ATOM 378 C PRO A 51 1.290 7.984 3.508 1.00 0.00 C ATOM 379 O PRO A 51 0.748 7.183 2.745 1.00 0.00 O ATOM 380 CB PRO A 51 3.301 6.486 3.708 1.00 0.00 C ATOM 381 CG PRO A 51 2.718 5.189 4.145 1.00 0.00 C ATOM 382 CD PRO A 51 2.212 5.412 5.545 1.00 0.00 C ATOM 0 HA PRO A 51 3.007 8.456 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.261 6.593 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.349 6.567 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.909 4.882 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.467 4.397 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.304 4.841 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.946 5.104 6.289 1.00 0.00 H new ATOM 390 N GLU A 52 0.905 9.254 3.626 1.00 0.00 N ATOM 391 CA GLU A 52 -0.207 9.812 2.843 1.00 0.00 C ATOM 392 C GLU A 52 -0.064 9.519 1.346 1.00 0.00 C ATOM 393 O GLU A 52 -1.032 9.146 0.686 1.00 0.00 O ATOM 394 CB GLU A 52 -0.324 11.324 3.076 1.00 0.00 C ATOM 395 CG GLU A 52 1.003 12.066 3.005 1.00 0.00 C ATOM 396 CD GLU A 52 1.366 12.743 4.314 1.00 0.00 C ATOM 397 OE1 GLU A 52 2.018 12.090 5.156 1.00 0.00 O ATOM 398 OE2 GLU A 52 0.987 13.919 4.501 1.00 0.00 O ATOM 0 H GLU A 52 1.346 9.922 4.258 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.118 9.323 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.003 11.744 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.773 11.497 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.792 11.365 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.954 12.815 2.215 1.00 0.00 H new ATOM 405 N LEU A 53 1.145 9.692 0.816 1.00 0.00 N ATOM 406 CA LEU A 53 1.401 9.435 -0.595 1.00 0.00 C ATOM 407 C LEU A 53 2.663 8.593 -0.777 1.00 0.00 C ATOM 408 O LEU A 53 3.753 9.007 -0.388 1.00 0.00 O ATOM 409 CB LEU A 53 1.535 10.746 -1.383 1.00 0.00 C ATOM 410 CG LEU A 53 1.294 12.036 -0.595 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.146 13.164 -1.152 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.179 12.421 -0.633 1.00 0.00 C ATOM 0 H LEU A 53 1.959 10.008 1.343 1.00 0.00 H new ATOM 0 HA LEU A 53 0.547 8.880 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.537 10.788 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.834 10.718 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 53 1.579 11.861 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.963 14.074 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.200 12.895 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.887 13.333 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.329 13.340 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.488 12.576 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.775 11.622 -0.192 1.00 0.00 H new ATOM 424 N ILE A 54 2.509 7.410 -1.365 1.00 0.00 N ATOM 425 CA ILE A 54 3.648 6.521 -1.601 1.00 0.00 C ATOM 426 C ILE A 54 4.170 6.677 -3.030 1.00 0.00 C ATOM 427 O ILE A 54 3.412 6.586 -3.997 1.00 0.00 O ATOM 428 CB ILE A 54 3.299 5.035 -1.345 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.927 4.681 -1.919 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.348 4.722 0.144 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.568 3.217 -1.773 1.00 0.00 C ATOM 0 H ILE A 54 1.613 7.044 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 54 4.421 6.814 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 54 4.045 4.425 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.168 5.284 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.904 4.948 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.100 3.673 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.350 4.920 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.629 5.349 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.582 3.040 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.306 2.608 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.558 2.949 -0.717 1.00 0.00 H new ATOM 443 N VAL A 55 5.467 6.928 -3.159 1.00 0.00 N ATOM 444 CA VAL A 55 6.083 7.105 -4.473 1.00 0.00 C ATOM 445 C VAL A 55 6.759 5.818 -4.954 1.00 0.00 C ATOM 446 O VAL A 55 7.586 5.236 -4.247 1.00 0.00 O ATOM 447 CB VAL A 55 7.112 8.257 -4.455 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.799 8.402 -5.804 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.443 9.563 -4.052 1.00 0.00 C ATOM 0 H VAL A 55 6.113 7.014 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 55 5.282 7.357 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 55 7.875 8.014 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.517 9.221 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.319 7.476 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.054 8.614 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.183 10.364 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.655 9.804 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.011 9.459 -3.057 1.00 0.00 H new ATOM 459 N LEU A 56 6.401 5.387 -6.163 1.00 0.00 N ATOM 460 CA LEU A 56 6.961 4.167 -6.750 1.00 0.00 C ATOM 461 C LEU A 56 7.346 4.374 -8.220 1.00 0.00 C ATOM 462 O LEU A 56 6.964 5.366 -8.846 1.00 0.00 O ATOM 463 CB LEU A 56 5.948 3.020 -6.643 1.00 0.00 C ATOM 464 CG LEU A 56 5.603 2.582 -5.219 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.169 2.083 -5.146 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.565 1.506 -4.749 1.00 0.00 C ATOM 0 H LEU A 56 5.724 5.865 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 56 7.864 3.916 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.029 3.321 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.340 2.159 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 56 5.700 3.445 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.942 1.776 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.490 2.882 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.045 1.233 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.306 1.205 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.498 0.643 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.583 1.896 -4.763 1.00 0.00 H new ATOM 478 N LYS A 57 8.111 3.431 -8.766 1.00 0.00 N ATOM 479 CA LYS A 57 8.535 3.499 -10.165 1.00 0.00 C ATOM 480 C LYS A 57 7.559 2.733 -11.065 1.00 0.00 C ATOM 481 O LYS A 57 6.684 2.019 -10.579 1.00 0.00 O ATOM 482 CB LYS A 57 9.949 2.934 -10.323 1.00 0.00 C ATOM 483 CG LYS A 57 10.943 3.932 -10.897 1.00 0.00 C ATOM 484 CD LYS A 57 11.937 3.254 -11.826 1.00 0.00 C ATOM 485 CE LYS A 57 12.914 4.256 -12.423 1.00 0.00 C ATOM 486 NZ LYS A 57 13.810 3.625 -13.431 1.00 0.00 N ATOM 0 H LYS A 57 8.450 2.611 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 57 8.538 4.546 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.307 2.596 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.911 2.058 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.407 4.710 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.479 4.423 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.488 2.490 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.400 2.746 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.359 5.070 -12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.515 4.695 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.460 4.341 -13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.358 2.865 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.238 3.228 -14.204 1.00 0.00 H new ATOM 500 N LYS A 58 7.715 2.882 -12.378 1.00 0.00 N ATOM 501 CA LYS A 58 6.833 2.209 -13.331 1.00 0.00 C ATOM 502 C LYS A 58 7.477 0.952 -13.924 1.00 0.00 C ATOM 503 O LYS A 58 8.696 0.881 -14.082 1.00 0.00 O ATOM 504 CB LYS A 58 6.440 3.172 -14.454 1.00 0.00 C ATOM 505 CG LYS A 58 5.281 2.668 -15.299 1.00 0.00 C ATOM 506 CD LYS A 58 4.962 3.614 -16.445 1.00 0.00 C ATOM 507 CE LYS A 58 5.496 3.092 -17.772 1.00 0.00 C ATOM 508 NZ LYS A 58 4.403 2.611 -18.665 1.00 0.00 N ATOM 0 H LYS A 58 8.439 3.459 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 58 5.942 1.897 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.172 4.135 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.303 3.341 -15.097 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.524 1.683 -15.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.399 2.548 -14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.883 3.750 -16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.394 4.594 -16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.053 3.883 -18.275 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.196 2.278 -17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.771 1.870 -19.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.630 2.222 -18.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.045 3.404 -19.234 1.00 0.00 H new ATOM 522 N SER A 59 6.629 -0.038 -14.236 1.00 0.00 N ATOM 523 CA SER A 59 7.056 -1.316 -14.827 1.00 0.00 C ATOM 524 C SER A 59 7.922 -2.132 -13.861 1.00 0.00 C ATOM 525 O SER A 59 8.656 -3.033 -14.276 1.00 0.00 O ATOM 526 CB SER A 59 7.803 -1.086 -16.148 1.00 0.00 C ATOM 527 OG SER A 59 8.168 -2.316 -16.750 1.00 0.00 O ATOM 0 H SER A 59 5.622 0.025 -14.085 1.00 0.00 H new ATOM 0 HA SER A 59 6.153 -1.892 -15.030 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.173 -0.516 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.696 -0.488 -15.965 1.00 0.00 H new ATOM 0 HG SER A 59 8.484 -2.936 -16.061 1.00 0.00 H new ATOM 533 N VAL A 60 7.824 -1.821 -12.575 1.00 0.00 N ATOM 534 CA VAL A 60 8.598 -2.521 -11.557 1.00 0.00 C ATOM 535 C VAL A 60 7.678 -3.122 -10.483 1.00 0.00 C ATOM 536 O VAL A 60 6.717 -2.482 -10.050 1.00 0.00 O ATOM 537 CB VAL A 60 9.635 -1.568 -10.907 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.962 -0.565 -9.984 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.703 -2.346 -10.151 1.00 0.00 C ATOM 0 H VAL A 60 7.215 -1.088 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 60 9.133 -3.337 -12.044 1.00 0.00 H new ATOM 0 HB VAL A 60 10.118 -1.019 -11.715 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.716 0.088 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.251 0.034 -10.554 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.436 -1.096 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.415 -1.650 -9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.234 -2.937 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.226 -3.009 -10.840 1.00 0.00 H new ATOM 549 N PRO A 61 7.926 -4.380 -10.071 1.00 0.00 N ATOM 550 CA PRO A 61 7.125 -5.034 -9.030 1.00 0.00 C ATOM 551 C PRO A 61 7.271 -4.327 -7.680 1.00 0.00 C ATOM 552 O PRO A 61 8.377 -4.164 -7.167 1.00 0.00 O ATOM 553 CB PRO A 61 7.696 -6.455 -8.963 1.00 0.00 C ATOM 554 CG PRO A 61 9.051 -6.365 -9.579 1.00 0.00 C ATOM 555 CD PRO A 61 8.975 -5.267 -10.602 1.00 0.00 C ATOM 0 HA PRO A 61 6.059 -5.014 -9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.755 -6.807 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.064 -7.159 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.807 -6.143 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.331 -7.311 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.927 -4.747 -10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.714 -5.653 -11.588 1.00 0.00 H new ATOM 563 N ALA A 62 6.155 -3.890 -7.117 1.00 0.00 N ATOM 564 CA ALA A 62 6.179 -3.194 -5.835 1.00 0.00 C ATOM 565 C ALA A 62 5.250 -3.849 -4.820 1.00 0.00 C ATOM 566 O ALA A 62 4.134 -4.251 -5.150 1.00 0.00 O ATOM 567 CB ALA A 62 5.806 -1.734 -6.031 1.00 0.00 C ATOM 0 H ALA A 62 5.226 -4.003 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 62 7.192 -3.257 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.826 -1.221 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.519 -1.264 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.805 -1.668 -6.456 1.00 0.00 H new ATOM 573 N ARG A 63 5.713 -3.956 -3.580 1.00 0.00 N ATOM 574 CA ARG A 63 4.911 -4.559 -2.527 1.00 0.00 C ATOM 575 C ARG A 63 4.677 -3.584 -1.372 1.00 0.00 C ATOM 576 O ARG A 63 5.604 -2.955 -0.855 1.00 0.00 O ATOM 577 CB ARG A 63 5.549 -5.859 -2.042 1.00 0.00 C ATOM 578 CG ARG A 63 6.795 -5.673 -1.212 1.00 0.00 C ATOM 579 CD ARG A 63 7.775 -6.803 -1.437 1.00 0.00 C ATOM 580 NE ARG A 63 7.143 -8.116 -1.323 1.00 0.00 N ATOM 581 CZ ARG A 63 7.538 -9.061 -0.487 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.553 -8.863 0.321 1.00 0.00 N ATOM 583 NH2 ARG A 63 6.912 -10.212 -0.458 1.00 0.00 N ATOM 0 H ARG A 63 6.634 -3.635 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 63 3.933 -4.800 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.816 -6.412 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.793 -6.474 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.266 -4.723 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.528 -5.624 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.222 -6.702 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.585 -6.728 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 63 6.346 -8.316 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.048 -7.971 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.847 -9.601 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.121 -10.378 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.216 -10.942 0.187 1.00 0.00 H new ATOM 597 N ILE A 64 3.415 -3.449 -0.992 1.00 0.00 N ATOM 598 CA ILE A 64 3.025 -2.554 0.094 1.00 0.00 C ATOM 599 C ILE A 64 2.790 -3.338 1.387 1.00 0.00 C ATOM 600 O ILE A 64 1.880 -4.164 1.462 1.00 0.00 O ATOM 601 CB ILE A 64 1.745 -1.761 -0.257 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.722 -1.390 -1.748 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.636 -0.514 0.607 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.692 -0.287 -2.128 1.00 0.00 C ATOM 0 H ILE A 64 2.637 -3.950 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 64 3.845 -1.851 0.238 1.00 0.00 H new ATOM 0 HB ILE A 64 0.884 -2.398 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.951 -2.279 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.713 -1.080 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.729 0.031 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.597 -0.802 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.504 0.123 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.613 -0.085 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.451 0.618 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.709 -0.600 -1.892 1.00 0.00 H new ATOM 616 N VAL A 65 3.613 -3.076 2.400 1.00 0.00 N ATOM 617 CA VAL A 65 3.499 -3.772 3.684 1.00 0.00 C ATOM 618 C VAL A 65 2.597 -3.008 4.652 1.00 0.00 C ATOM 619 O VAL A 65 2.951 -1.931 5.123 1.00 0.00 O ATOM 620 CB VAL A 65 4.882 -3.969 4.347 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.806 -5.023 5.443 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.932 -4.347 3.313 1.00 0.00 C ATOM 0 H VAL A 65 4.365 -2.389 2.359 1.00 0.00 H new ATOM 0 HA VAL A 65 3.060 -4.747 3.470 1.00 0.00 H new ATOM 0 HB VAL A 65 5.178 -3.022 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.789 -5.147 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.092 -4.706 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.482 -5.971 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.896 -4.480 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.643 -5.277 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.011 -3.555 2.568 1.00 0.00 H new ATOM 632 N PHE A 66 1.434 -3.575 4.955 1.00 0.00 N ATOM 633 CA PHE A 66 0.491 -2.939 5.870 1.00 0.00 C ATOM 634 C PHE A 66 0.618 -3.507 7.284 1.00 0.00 C ATOM 635 O PHE A 66 0.320 -4.678 7.528 1.00 0.00 O ATOM 636 CB PHE A 66 -0.942 -3.107 5.359 1.00 0.00 C ATOM 637 CG PHE A 66 -1.229 -2.303 4.123 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.382 -0.929 4.198 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.336 -2.920 2.887 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.637 -0.184 3.063 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.589 -2.180 1.748 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.739 -0.809 1.837 1.00 0.00 C ATOM 0 H PHE A 66 1.122 -4.471 4.582 1.00 0.00 H new ATOM 0 HA PHE A 66 0.731 -1.877 5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.125 -4.161 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.638 -2.813 6.145 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.301 -0.434 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.220 -3.991 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.756 0.887 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.669 -2.672 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.936 -0.228 0.948 1.00 0.00 H new ATOM 652 N ASP A 67 1.074 -2.667 8.208 1.00 0.00 N ATOM 653 CA ASP A 67 1.238 -3.064 9.604 1.00 0.00 C ATOM 654 C ASP A 67 0.046 -2.585 10.433 1.00 0.00 C ATOM 655 O ASP A 67 -0.065 -1.398 10.739 1.00 0.00 O ATOM 656 CB ASP A 67 2.541 -2.483 10.165 1.00 0.00 C ATOM 657 CG ASP A 67 3.113 -3.307 11.305 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.342 -3.689 12.209 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.336 -3.573 11.292 1.00 0.00 O ATOM 0 H ASP A 67 1.338 -1.701 8.014 1.00 0.00 H new ATOM 0 HA ASP A 67 1.285 -4.152 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.278 -2.418 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.359 -1.466 10.514 1.00 0.00 H new ATOM 664 N ARG A 68 -0.839 -3.508 10.796 1.00 0.00 N ATOM 665 CA ARG A 68 -2.027 -3.157 11.570 1.00 0.00 C ATOM 666 C ARG A 68 -1.716 -2.974 13.055 1.00 0.00 C ATOM 667 O ARG A 68 -1.522 -3.943 13.793 1.00 0.00 O ATOM 668 CB ARG A 68 -3.117 -4.215 11.398 1.00 0.00 C ATOM 669 CG ARG A 68 -4.456 -3.797 11.988 1.00 0.00 C ATOM 670 CD ARG A 68 -5.500 -3.572 10.909 1.00 0.00 C ATOM 671 NE ARG A 68 -6.283 -4.777 10.650 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.468 -5.020 11.183 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.021 -4.163 12.006 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.099 -6.126 10.885 1.00 0.00 N ATOM 0 H ARG A 68 -0.758 -4.499 10.569 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.384 -2.202 11.183 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.245 -4.426 10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.792 -5.142 11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.805 -4.565 12.678 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.329 -2.883 12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.166 -2.764 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.009 -3.253 9.989 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.891 -5.475 10.018 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.537 -3.297 12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.936 -4.362 12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.677 -6.797 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.014 -6.317 11.294 1.00 0.00 H new ATOM 688 N LYS A 69 -1.681 -1.717 13.482 1.00 0.00 N ATOM 689 CA LYS A 69 -1.418 -1.376 14.875 1.00 0.00 C ATOM 690 C LYS A 69 -2.734 -1.081 15.602 1.00 0.00 C ATOM 691 O LYS A 69 -2.904 -1.416 16.773 1.00 0.00 O ATOM 692 CB LYS A 69 -0.479 -0.163 14.947 1.00 0.00 C ATOM 693 CG LYS A 69 -0.338 0.440 16.337 1.00 0.00 C ATOM 694 CD LYS A 69 0.433 -0.479 17.270 1.00 0.00 C ATOM 695 CE LYS A 69 1.702 0.186 17.783 1.00 0.00 C ATOM 696 NZ LYS A 69 2.424 -0.677 18.759 1.00 0.00 N ATOM 0 H LYS A 69 -1.833 -0.910 12.877 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.935 -2.221 15.365 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.507 -0.461 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.845 0.605 14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.173 1.400 16.267 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.327 0.634 16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.199 -0.758 18.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.690 -1.400 16.746 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.359 0.412 16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.449 1.135 18.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.283 -0.189 19.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.807 -0.872 19.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.688 -1.573 18.302 1.00 0.00 H new ATOM 710 N ASP A 70 -3.668 -0.462 14.886 1.00 0.00 N ATOM 711 CA ASP A 70 -4.973 -0.127 15.447 1.00 0.00 C ATOM 712 C ASP A 70 -6.051 -1.096 14.940 1.00 0.00 C ATOM 713 O ASP A 70 -6.183 -1.314 13.735 1.00 0.00 O ATOM 714 CB ASP A 70 -5.342 1.316 15.084 1.00 0.00 C ATOM 715 CG ASP A 70 -6.385 1.906 16.014 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.999 2.499 17.040 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.593 1.771 15.709 1.00 0.00 O ATOM 0 H ASP A 70 -3.545 -0.181 13.913 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.918 -0.219 16.532 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.445 1.934 15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.716 1.344 14.061 1.00 0.00 H new ATOM 722 N PRO A 71 -6.851 -1.670 15.860 1.00 0.00 N ATOM 723 CA PRO A 71 -7.919 -2.621 15.512 1.00 0.00 C ATOM 724 C PRO A 71 -9.195 -1.932 15.022 1.00 0.00 C ATOM 725 O PRO A 71 -10.307 -2.350 15.348 1.00 0.00 O ATOM 726 CB PRO A 71 -8.173 -3.328 16.840 1.00 0.00 C ATOM 727 CG PRO A 71 -7.907 -2.280 17.865 1.00 0.00 C ATOM 728 CD PRO A 71 -6.785 -1.435 17.314 1.00 0.00 C ATOM 0 HA PRO A 71 -7.633 -3.280 14.692 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.196 -3.699 16.905 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.514 -4.187 16.967 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.797 -1.677 18.047 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.626 -2.729 18.818 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.922 -0.381 17.556 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.820 -1.734 17.724 1.00 0.00 H new ATOM 736 N SER A 72 -9.027 -0.876 14.234 1.00 0.00 N ATOM 737 CA SER A 72 -10.158 -0.123 13.696 1.00 0.00 C ATOM 738 C SER A 72 -10.920 -0.935 12.645 1.00 0.00 C ATOM 739 O SER A 72 -10.313 -1.551 11.766 1.00 0.00 O ATOM 740 CB SER A 72 -9.673 1.189 13.077 1.00 0.00 C ATOM 741 OG SER A 72 -9.640 2.228 14.040 1.00 0.00 O ATOM 0 H SER A 72 -8.114 -0.519 13.951 1.00 0.00 H new ATOM 0 HA SER A 72 -10.836 0.092 14.522 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.678 1.049 12.655 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.331 1.472 12.255 1.00 0.00 H new ATOM 0 HG SER A 72 -8.777 2.216 14.505 1.00 0.00 H new ATOM 747 N PRO A 73 -12.266 -0.927 12.707 1.00 0.00 N ATOM 748 CA PRO A 73 -13.115 -1.670 11.760 1.00 0.00 C ATOM 749 C PRO A 73 -12.982 -1.165 10.322 1.00 0.00 C ATOM 750 O PRO A 73 -13.131 -1.929 9.370 1.00 0.00 O ATOM 751 CB PRO A 73 -14.536 -1.427 12.282 1.00 0.00 C ATOM 752 CG PRO A 73 -14.438 -0.175 13.083 1.00 0.00 C ATOM 753 CD PRO A 73 -13.069 -0.192 13.702 1.00 0.00 C ATOM 0 HA PRO A 73 -12.836 -2.723 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.245 -1.317 11.462 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.881 -2.261 12.893 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.571 0.704 12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.213 -0.139 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.687 0.816 13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.070 -0.693 14.670 1.00 0.00 H new ATOM 761 N CYS A 74 -12.689 0.125 10.174 1.00 0.00 N ATOM 762 CA CYS A 74 -12.529 0.733 8.853 1.00 0.00 C ATOM 763 C CYS A 74 -11.178 0.374 8.227 1.00 0.00 C ATOM 764 O CYS A 74 -10.938 0.646 7.053 1.00 0.00 O ATOM 765 CB CYS A 74 -12.664 2.254 8.947 1.00 0.00 C ATOM 766 SG CYS A 74 -12.146 2.945 10.536 1.00 0.00 S ATOM 0 H CYS A 74 -12.557 0.771 10.952 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.317 0.337 8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.071 2.710 8.154 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.703 2.528 8.766 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.295 4.236 10.517 1.00 0.00 H new ATOM 772 N LEU A 75 -10.302 -0.243 9.018 1.00 0.00 N ATOM 773 CA LEU A 75 -8.980 -0.634 8.537 1.00 0.00 C ATOM 774 C LEU A 75 -8.835 -2.157 8.484 1.00 0.00 C ATOM 775 O LEU A 75 -7.734 -2.679 8.318 1.00 0.00 O ATOM 776 CB LEU A 75 -7.894 -0.043 9.439 1.00 0.00 C ATOM 777 CG LEU A 75 -7.666 1.462 9.288 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.988 2.020 10.526 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.830 1.757 8.050 1.00 0.00 C ATOM 0 H LEU A 75 -10.484 -0.482 9.993 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.864 -0.244 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.153 -0.252 10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.955 -0.558 9.235 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.636 1.946 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.832 3.092 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.618 1.842 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.026 1.527 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.679 2.833 7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.863 1.261 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.348 1.389 7.165 1.00 0.00 H new ATOM 791 N ASP A 76 -9.959 -2.862 8.617 1.00 0.00 N ATOM 792 CA ASP A 76 -9.965 -4.326 8.591 1.00 0.00 C ATOM 793 C ASP A 76 -9.595 -4.872 7.207 1.00 0.00 C ATOM 794 O ASP A 76 -8.945 -5.914 7.093 1.00 0.00 O ATOM 795 CB ASP A 76 -11.344 -4.843 9.008 1.00 0.00 C ATOM 796 CG ASP A 76 -11.280 -6.198 9.688 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.879 -6.253 10.871 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.635 -7.205 9.039 1.00 0.00 O ATOM 0 H ASP A 76 -10.880 -2.442 8.744 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.211 -4.678 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.808 -4.124 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.983 -4.913 8.128 1.00 0.00 H new ATOM 803 N GLN A 77 -10.014 -4.171 6.160 1.00 0.00 N ATOM 804 CA GLN A 77 -9.727 -4.594 4.793 1.00 0.00 C ATOM 805 C GLN A 77 -9.130 -3.450 3.974 1.00 0.00 C ATOM 806 O GLN A 77 -9.260 -2.281 4.336 1.00 0.00 O ATOM 807 CB GLN A 77 -11.004 -5.101 4.115 1.00 0.00 C ATOM 808 CG GLN A 77 -11.407 -6.506 4.540 1.00 0.00 C ATOM 809 CD GLN A 77 -12.743 -6.931 3.962 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.744 -6.230 4.091 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.770 -8.088 3.321 1.00 0.00 N ATOM 0 H GLN A 77 -10.553 -3.308 6.230 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.997 -5.402 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.821 -4.415 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.862 -5.085 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.638 -7.211 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.455 -6.552 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.919 -8.643 3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.642 -8.425 2.914 1.00 0.00 H new ATOM 820 N ILE A 78 -8.472 -3.797 2.874 1.00 0.00 N ATOM 821 CA ILE A 78 -7.867 -2.800 1.995 1.00 0.00 C ATOM 822 C ILE A 78 -8.093 -3.161 0.525 1.00 0.00 C ATOM 823 O ILE A 78 -7.835 -4.287 0.098 1.00 0.00 O ATOM 824 CB ILE A 78 -6.350 -2.626 2.265 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.754 -1.590 1.310 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.612 -3.955 2.142 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.167 -0.388 2.014 1.00 0.00 C ATOM 0 H ILE A 78 -8.343 -4.762 2.568 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.357 -1.851 2.212 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.228 -2.269 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.978 -2.065 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.529 -1.255 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.551 -3.801 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.015 -4.663 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.742 -4.352 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.763 0.305 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.945 0.111 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.369 -0.712 2.683 1.00 0.00 H new ATOM 839 N VAL A 79 -8.594 -2.206 -0.245 1.00 0.00 N ATOM 840 CA VAL A 79 -8.845 -2.434 -1.661 1.00 0.00 C ATOM 841 C VAL A 79 -8.284 -1.297 -2.513 1.00 0.00 C ATOM 842 O VAL A 79 -8.470 -0.119 -2.209 1.00 0.00 O ATOM 843 CB VAL A 79 -10.357 -2.627 -1.954 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.194 -1.615 -1.190 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.648 -2.545 -3.449 1.00 0.00 C ATOM 0 H VAL A 79 -8.834 -1.271 0.084 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.329 -3.356 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.632 -3.625 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.249 -1.773 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.027 -1.739 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.907 -0.607 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.715 -2.684 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.344 -1.568 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.092 -3.324 -3.971 1.00 0.00 H new ATOM 855 N PHE A 80 -7.570 -1.674 -3.565 1.00 0.00 N ATOM 856 CA PHE A 80 -6.982 -0.717 -4.491 1.00 0.00 C ATOM 857 C PHE A 80 -7.920 -0.508 -5.683 1.00 0.00 C ATOM 858 O PHE A 80 -7.964 -1.336 -6.594 1.00 0.00 O ATOM 859 CB PHE A 80 -5.624 -1.234 -4.976 1.00 0.00 C ATOM 860 CG PHE A 80 -4.474 -0.876 -4.079 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.301 -1.514 -2.860 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.560 0.095 -4.457 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.239 -1.191 -2.037 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.498 0.424 -3.638 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.337 -0.220 -2.426 1.00 0.00 C ATOM 0 H PHE A 80 -7.383 -2.649 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.838 0.236 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.673 -2.319 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.431 -0.836 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.005 -2.272 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.680 0.601 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.114 -1.697 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.794 1.184 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.507 0.036 -1.784 1.00 0.00 H new ATOM 875 N PRO A 81 -8.674 0.609 -5.707 1.00 0.00 N ATOM 876 CA PRO A 81 -9.631 0.900 -6.787 1.00 0.00 C ATOM 877 C PRO A 81 -8.965 1.165 -8.140 1.00 0.00 C ATOM 878 O PRO A 81 -9.626 1.144 -9.177 1.00 0.00 O ATOM 879 CB PRO A 81 -10.361 2.151 -6.293 1.00 0.00 C ATOM 880 CG PRO A 81 -9.423 2.793 -5.329 1.00 0.00 C ATOM 881 CD PRO A 81 -8.648 1.677 -4.690 1.00 0.00 C ATOM 0 HA PRO A 81 -10.285 0.048 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.597 2.822 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.305 1.893 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.756 3.487 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.968 3.367 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.628 1.981 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.108 1.353 -3.756 1.00 0.00 H new ATOM 889 N ASP A 82 -7.660 1.412 -8.128 1.00 0.00 N ATOM 890 CA ASP A 82 -6.924 1.676 -9.360 1.00 0.00 C ATOM 891 C ASP A 82 -6.174 0.430 -9.854 1.00 0.00 C ATOM 892 O ASP A 82 -5.613 0.432 -10.947 1.00 0.00 O ATOM 893 CB ASP A 82 -5.941 2.829 -9.144 1.00 0.00 C ATOM 894 CG ASP A 82 -6.640 4.170 -9.025 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.302 4.583 -10.000 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.525 4.807 -7.954 1.00 0.00 O ATOM 0 H ASP A 82 -7.091 1.435 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.648 1.952 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.360 2.643 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.236 2.862 -9.975 1.00 0.00 H new ATOM 901 N PHE A 83 -6.168 -0.631 -9.046 1.00 0.00 N ATOM 902 CA PHE A 83 -5.476 -1.867 -9.417 1.00 0.00 C ATOM 903 C PHE A 83 -6.419 -3.077 -9.422 1.00 0.00 C ATOM 904 O PHE A 83 -6.141 -4.082 -10.073 1.00 0.00 O ATOM 905 CB PHE A 83 -4.305 -2.122 -8.459 1.00 0.00 C ATOM 906 CG PHE A 83 -3.120 -1.237 -8.719 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.082 0.055 -8.219 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.045 -1.694 -9.466 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.001 0.875 -8.460 1.00 0.00 C ATOM 910 CE2 PHE A 83 -0.956 -0.877 -9.708 1.00 0.00 C ATOM 911 CZ PHE A 83 -0.935 0.409 -9.205 1.00 0.00 C ATOM 0 H PHE A 83 -6.630 -0.660 -8.137 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.100 -1.738 -10.432 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.644 -1.971 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.997 -3.164 -8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.911 0.424 -7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.058 -2.698 -9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.987 1.881 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.123 -1.244 -10.289 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.086 1.050 -9.394 1.00 0.00 H new ATOM 921 N GLY A 84 -7.529 -2.975 -8.693 1.00 0.00 N ATOM 922 CA GLY A 84 -8.482 -4.075 -8.624 1.00 0.00 C ATOM 923 C GLY A 84 -8.057 -5.136 -7.622 1.00 0.00 C ATOM 924 O GLY A 84 -8.428 -6.303 -7.739 1.00 0.00 O ATOM 0 H GLY A 84 -7.786 -2.152 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.463 -3.688 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.584 -4.528 -9.610 1.00 0.00 H new ATOM 928 N VAL A 85 -7.285 -4.715 -6.626 1.00 0.00 N ATOM 929 CA VAL A 85 -6.779 -5.622 -5.600 1.00 0.00 C ATOM 930 C VAL A 85 -7.482 -5.406 -4.256 1.00 0.00 C ATOM 931 O VAL A 85 -7.391 -4.333 -3.665 1.00 0.00 O ATOM 932 CB VAL A 85 -5.254 -5.434 -5.424 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.742 -6.164 -4.190 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.513 -5.899 -6.669 1.00 0.00 C ATOM 0 H VAL A 85 -6.994 -3.745 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.987 -6.639 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.063 -4.370 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.667 -6.011 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.242 -5.775 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.950 -7.230 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.441 -5.760 -6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.722 -6.954 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.845 -5.317 -7.529 1.00 0.00 H new ATOM 944 N HIS A 86 -8.182 -6.432 -3.783 1.00 0.00 N ATOM 945 CA HIS A 86 -8.889 -6.363 -2.499 1.00 0.00 C ATOM 946 C HIS A 86 -8.349 -7.421 -1.531 1.00 0.00 C ATOM 947 O HIS A 86 -8.442 -8.622 -1.796 1.00 0.00 O ATOM 948 CB HIS A 86 -10.406 -6.541 -2.694 1.00 0.00 C ATOM 949 CG HIS A 86 -10.790 -7.557 -3.736 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.346 -8.863 -3.718 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.588 -7.449 -4.824 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.852 -9.514 -4.748 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.610 -8.679 -5.436 1.00 0.00 N ATOM 0 H HIS A 86 -8.278 -7.325 -4.267 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.714 -5.376 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.850 -6.832 -1.742 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.839 -5.579 -2.967 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.723 -9.263 -3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.110 -6.562 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.676 -10.552 -4.988 1.00 0.00 H new ATOM 961 N ALA A 87 -7.788 -6.975 -0.411 1.00 0.00 N ATOM 962 CA ALA A 87 -7.222 -7.890 0.578 1.00 0.00 C ATOM 963 C ALA A 87 -7.673 -7.555 2.001 1.00 0.00 C ATOM 964 O ALA A 87 -8.234 -6.490 2.257 1.00 0.00 O ATOM 965 CB ALA A 87 -5.702 -7.872 0.494 1.00 0.00 C ATOM 0 H ALA A 87 -7.713 -5.988 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.591 -8.889 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.289 -8.557 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.389 -8.183 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.339 -6.863 0.690 1.00 0.00 H new ATOM 971 N ASN A 88 -7.419 -8.478 2.925 1.00 0.00 N ATOM 972 CA ASN A 88 -7.784 -8.292 4.329 1.00 0.00 C ATOM 973 C ASN A 88 -6.529 -8.140 5.188 1.00 0.00 C ATOM 974 O ASN A 88 -5.529 -8.822 4.963 1.00 0.00 O ATOM 975 CB ASN A 88 -8.619 -9.475 4.835 1.00 0.00 C ATOM 976 CG ASN A 88 -9.452 -10.122 3.744 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.416 -9.541 3.253 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.086 -11.334 3.359 1.00 0.00 N ATOM 0 H ASN A 88 -6.960 -9.367 2.726 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.382 -7.384 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.955 -10.222 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.278 -9.133 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.611 -11.818 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.279 -11.784 3.791 1.00 0.00 H new ATOM 985 N LEU A 89 -6.582 -7.253 6.177 1.00 0.00 N ATOM 986 CA LEU A 89 -5.433 -7.026 7.051 1.00 0.00 C ATOM 987 C LEU A 89 -5.623 -7.694 8.415 1.00 0.00 C ATOM 988 O LEU A 89 -6.648 -7.510 9.075 1.00 0.00 O ATOM 989 CB LEU A 89 -5.185 -5.524 7.238 1.00 0.00 C ATOM 990 CG LEU A 89 -5.059 -4.713 5.947 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.940 -3.229 6.258 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.861 -5.184 5.136 1.00 0.00 C ATOM 0 H LEU A 89 -7.400 -6.683 6.393 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.565 -7.476 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.001 -5.109 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.272 -5.394 7.819 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.960 -4.869 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.851 -2.668 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.827 -2.898 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.056 -3.056 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.787 -4.596 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.952 -5.057 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.985 -6.237 4.882 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.639 -8.501 8.846 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.685 -9.189 10.136 1.00 0.00 C ATOM 1006 C PRO A 90 -4.225 -8.296 11.293 1.00 0.00 C ATOM 1007 O PRO A 90 -3.165 -7.671 11.229 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.722 -10.358 9.934 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.731 -9.881 8.919 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.410 -8.817 8.096 1.00 0.00 C ATOM 0 HA PRO A 90 -5.696 -9.492 10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.230 -10.628 10.868 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.249 -11.246 9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.843 -9.480 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.402 -10.705 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.776 -7.937 7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.638 -9.176 7.093 1.00 0.00 H new ATOM 1018 N MET A 91 -5.030 -8.240 12.350 1.00 0.00 N ATOM 1019 CA MET A 91 -4.711 -7.418 13.517 1.00 0.00 C ATOM 1020 C MET A 91 -3.489 -7.953 14.270 1.00 0.00 C ATOM 1021 O MET A 91 -3.447 -9.119 14.664 1.00 0.00 O ATOM 1022 CB MET A 91 -5.919 -7.344 14.456 1.00 0.00 C ATOM 1023 CG MET A 91 -5.656 -6.558 15.731 1.00 0.00 C ATOM 1024 SD MET A 91 -5.041 -4.893 15.412 1.00 0.00 S ATOM 1025 CE MET A 91 -4.103 -4.591 16.908 1.00 0.00 C ATOM 0 H MET A 91 -5.908 -8.753 12.424 1.00 0.00 H new ATOM 0 HA MET A 91 -4.469 -6.417 13.161 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.754 -6.888 13.924 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.225 -8.356 14.720 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.577 -6.495 16.310 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.932 -7.097 16.342 1.00 0.00 H new ATOM 0 HE1 MET A 91 -3.284 -3.905 16.692 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.754 -4.151 17.663 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.699 -5.532 17.281 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.498 -7.085 14.462 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.284 -7.471 15.165 1.00 0.00 C ATOM 1037 C GLY A 92 -0.276 -8.168 14.265 1.00 0.00 C ATOM 1038 O GLY A 92 0.702 -8.740 14.746 1.00 0.00 O ATOM 0 H GLY A 92 -2.514 -6.117 14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.823 -6.583 15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.543 -8.132 15.992 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.511 -8.120 12.956 1.00 0.00 N ATOM 1043 CA GLU A 93 0.379 -8.760 11.990 1.00 0.00 C ATOM 1044 C GLU A 93 0.616 -7.859 10.776 1.00 0.00 C ATOM 1045 O GLU A 93 0.048 -6.770 10.673 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.205 -10.105 11.541 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.296 -11.139 12.654 1.00 0.00 C ATOM 1048 CD GLU A 93 1.014 -11.868 12.894 1.00 0.00 C ATOM 1049 OE1 GLU A 93 1.952 -11.692 12.086 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.101 -12.620 13.888 1.00 0.00 O ATOM 0 H GLU A 93 -1.311 -7.644 12.539 1.00 0.00 H new ATOM 0 HA GLU A 93 1.338 -8.932 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.201 -9.939 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.409 -10.506 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.606 -10.646 13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.070 -11.865 12.405 1.00 0.00 H new ATOM 1057 N GLU A 94 1.465 -8.317 9.861 1.00 0.00 N ATOM 1058 CA GLU A 94 1.784 -7.552 8.657 1.00 0.00 C ATOM 1059 C GLU A 94 1.268 -8.241 7.394 1.00 0.00 C ATOM 1060 O GLU A 94 1.464 -9.441 7.203 1.00 0.00 O ATOM 1061 CB GLU A 94 3.296 -7.346 8.538 1.00 0.00 C ATOM 1062 CG GLU A 94 3.885 -6.441 9.607 1.00 0.00 C ATOM 1063 CD GLU A 94 4.844 -7.171 10.528 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.052 -7.213 10.218 1.00 0.00 O ATOM 1065 OE2 GLU A 94 4.383 -7.706 11.560 1.00 0.00 O ATOM 0 H GLU A 94 1.945 -9.214 9.929 1.00 0.00 H new ATOM 0 HA GLU A 94 1.287 -6.586 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.789 -8.317 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.518 -6.925 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.407 -5.612 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.077 -6.010 10.198 1.00 0.00 H new ATOM 1072 N TYR A 95 0.613 -7.470 6.535 1.00 0.00 N ATOM 1073 CA TYR A 95 0.086 -7.992 5.275 1.00 0.00 C ATOM 1074 C TYR A 95 0.680 -7.218 4.101 1.00 0.00 C ATOM 1075 O TYR A 95 0.591 -5.993 4.049 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.441 -7.905 5.248 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.089 -8.932 4.347 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.327 -10.226 4.796 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.462 -8.609 3.049 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.920 -11.167 3.975 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -3.054 -9.545 2.223 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.279 -10.823 2.690 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.870 -11.757 1.870 1.00 0.00 O ATOM 0 H TYR A 95 0.432 -6.478 6.686 1.00 0.00 H new ATOM 0 HA TYR A 95 0.369 -9.041 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.822 -8.031 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.734 -6.908 4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.044 -10.500 5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.286 -7.610 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.101 -12.167 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.339 -9.277 1.216 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.061 -11.353 0.998 1.00 0.00 H new ATOM 1093 N VAL A 96 1.288 -7.931 3.163 1.00 0.00 N ATOM 1094 CA VAL A 96 1.909 -7.283 2.013 1.00 0.00 C ATOM 1095 C VAL A 96 1.084 -7.450 0.729 1.00 0.00 C ATOM 1096 O VAL A 96 0.538 -8.520 0.447 1.00 0.00 O ATOM 1097 CB VAL A 96 3.360 -7.792 1.799 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.399 -9.106 1.031 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.199 -6.736 1.095 1.00 0.00 C ATOM 0 H VAL A 96 1.365 -8.948 3.173 1.00 0.00 H new ATOM 0 HA VAL A 96 1.943 -6.217 2.238 1.00 0.00 H new ATOM 0 HB VAL A 96 3.785 -7.981 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.434 -9.423 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.851 -9.868 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.940 -8.969 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.213 -7.111 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.758 -6.508 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.228 -5.831 1.701 1.00 0.00 H new ATOM 1109 N VAL A 97 0.971 -6.360 -0.027 1.00 0.00 N ATOM 1110 CA VAL A 97 0.240 -6.360 -1.290 1.00 0.00 C ATOM 1111 C VAL A 97 1.205 -6.152 -2.457 1.00 0.00 C ATOM 1112 O VAL A 97 1.794 -5.081 -2.604 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.852 -5.263 -1.319 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.459 -5.123 -2.711 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.934 -5.568 -0.295 1.00 0.00 C ATOM 0 H VAL A 97 1.381 -5.458 0.217 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.250 -7.329 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.382 -4.313 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.222 -4.345 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.679 -4.854 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.911 -6.070 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.695 -4.788 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.391 -6.531 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.493 -5.604 0.701 1.00 0.00 H new ATOM 1125 N GLU A 98 1.373 -7.185 -3.275 1.00 0.00 N ATOM 1126 CA GLU A 98 2.278 -7.115 -4.421 1.00 0.00 C ATOM 1127 C GLU A 98 1.537 -6.704 -5.693 1.00 0.00 C ATOM 1128 O GLU A 98 0.621 -7.393 -6.143 1.00 0.00 O ATOM 1129 CB GLU A 98 2.974 -8.462 -4.631 1.00 0.00 C ATOM 1130 CG GLU A 98 4.257 -8.615 -3.825 1.00 0.00 C ATOM 1131 CD GLU A 98 4.606 -10.066 -3.548 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.556 -10.882 -4.491 1.00 0.00 O ATOM 1133 OE2 GLU A 98 4.935 -10.385 -2.383 1.00 0.00 O ATOM 0 H GLU A 98 0.896 -8.080 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 98 3.028 -6.354 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.286 -9.263 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.203 -8.583 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.079 -8.145 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.152 -8.084 -2.879 1.00 0.00 H new ATOM 1140 N ILE A 99 1.944 -5.576 -6.267 1.00 0.00 N ATOM 1141 CA ILE A 99 1.324 -5.063 -7.489 1.00 0.00 C ATOM 1142 C ILE A 99 2.377 -4.581 -8.487 1.00 0.00 C ATOM 1143 O ILE A 99 3.511 -4.275 -8.116 1.00 0.00 O ATOM 1144 CB ILE A 99 0.348 -3.901 -7.190 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.769 -3.145 -5.924 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.074 -4.429 -7.050 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.007 -1.868 -5.688 1.00 0.00 C ATOM 0 H ILE A 99 2.702 -4.997 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 99 0.766 -5.892 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 99 0.380 -3.203 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.643 -3.800 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.831 -2.907 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.751 -3.601 -6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.374 -4.916 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.116 -5.148 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.348 -1.390 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.139 -1.193 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.067 -2.100 -5.588 1.00 0.00 H new ATOM 1159 N THR A 100 1.996 -4.520 -9.757 1.00 0.00 N ATOM 1160 CA THR A 100 2.911 -4.080 -10.809 1.00 0.00 C ATOM 1161 C THR A 100 2.361 -2.865 -11.557 1.00 0.00 C ATOM 1162 O THR A 100 1.550 -3.005 -12.476 1.00 0.00 O ATOM 1163 CB THR A 100 3.189 -5.207 -11.823 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.360 -6.457 -11.142 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.433 -4.903 -12.646 1.00 0.00 C ATOM 0 H THR A 100 1.063 -4.768 -10.085 1.00 0.00 H new ATOM 0 HA THR A 100 3.843 -3.805 -10.314 1.00 0.00 H new ATOM 0 HB THR A 100 2.333 -5.274 -12.494 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.534 -7.165 -11.797 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.608 -5.713 -13.354 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.290 -3.970 -13.191 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.293 -4.808 -11.984 1.00 0.00 H new ATOM 1173 N PRO A 101 2.795 -1.651 -11.170 1.00 0.00 N ATOM 1174 CA PRO A 101 2.353 -0.405 -11.812 1.00 0.00 C ATOM 1175 C PRO A 101 2.940 -0.235 -13.216 1.00 0.00 C ATOM 1176 O PRO A 101 4.084 0.183 -13.376 1.00 0.00 O ATOM 1177 CB PRO A 101 2.888 0.678 -10.872 1.00 0.00 C ATOM 1178 CG PRO A 101 4.081 0.058 -10.232 1.00 0.00 C ATOM 1179 CD PRO A 101 3.749 -1.397 -10.072 1.00 0.00 C ATOM 0 HA PRO A 101 1.272 -0.374 -11.952 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.156 1.582 -11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.142 0.963 -10.130 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.969 0.191 -10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.291 0.520 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.637 -2.024 -10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.305 -1.604 -9.098 1.00 0.00 H new ATOM 1187 N GLU A 102 2.150 -0.561 -14.234 1.00 0.00 N ATOM 1188 CA GLU A 102 2.609 -0.454 -15.620 1.00 0.00 C ATOM 1189 C GLU A 102 2.221 0.887 -16.251 1.00 0.00 C ATOM 1190 O GLU A 102 2.469 1.123 -17.435 1.00 0.00 O ATOM 1191 CB GLU A 102 2.047 -1.610 -16.449 1.00 0.00 C ATOM 1192 CG GLU A 102 2.562 -2.975 -16.015 1.00 0.00 C ATOM 1193 CD GLU A 102 1.456 -4.006 -15.867 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.269 -3.625 -15.974 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.775 -5.192 -15.647 1.00 0.00 O ATOM 0 H GLU A 102 1.194 -0.900 -14.130 1.00 0.00 H new ATOM 0 HA GLU A 102 3.698 -0.508 -15.612 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.959 -1.602 -16.379 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.300 -1.452 -17.497 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.289 -3.332 -16.745 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.087 -2.874 -15.065 1.00 0.00 H new ATOM 1202 N GLN A 103 1.628 1.770 -15.453 1.00 0.00 N ATOM 1203 CA GLN A 103 1.214 3.084 -15.935 1.00 0.00 C ATOM 1204 C GLN A 103 1.632 4.179 -14.959 1.00 0.00 C ATOM 1205 O GLN A 103 1.469 4.038 -13.748 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.302 3.134 -16.136 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.739 4.096 -17.231 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.901 4.973 -16.805 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -3.059 4.573 -16.883 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -1.601 6.181 -16.353 1.00 0.00 N ATOM 0 H GLN A 103 1.423 1.599 -14.468 1.00 0.00 H new ATOM 0 HA GLN A 103 1.708 3.255 -16.892 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.661 2.134 -16.378 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.775 3.425 -15.198 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.104 4.727 -17.513 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.023 3.528 -18.117 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.627 6.479 -16.302 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.344 6.813 -16.055 1.00 0.00 H new ATOM 1219 N ALA A 104 2.169 5.266 -15.493 1.00 0.00 N ATOM 1220 CA ALA A 104 2.602 6.388 -14.670 1.00 0.00 C ATOM 1221 C ALA A 104 1.457 7.373 -14.449 1.00 0.00 C ATOM 1222 O ALA A 104 0.841 7.849 -15.404 1.00 0.00 O ATOM 1223 CB ALA A 104 3.794 7.086 -15.310 1.00 0.00 C ATOM 0 H ALA A 104 2.316 5.396 -16.494 1.00 0.00 H new ATOM 0 HA ALA A 104 2.908 6.002 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.106 7.922 -14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.618 6.380 -15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.512 7.457 -16.296 1.00 0.00 H new ATOM 1229 N GLY A 105 1.166 7.656 -13.186 1.00 0.00 N ATOM 1230 CA GLY A 105 0.094 8.579 -12.862 1.00 0.00 C ATOM 1231 C GLY A 105 -0.207 8.632 -11.376 1.00 0.00 C ATOM 1232 O GLY A 105 0.562 8.123 -10.557 1.00 0.00 O ATOM 0 H GLY A 105 1.652 7.263 -12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.362 9.577 -13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.807 8.286 -13.400 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.331 9.250 -11.031 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.747 9.370 -9.639 1.00 0.00 C ATOM 1238 C GLU A 106 -2.766 8.289 -9.287 1.00 0.00 C ATOM 1239 O GLU A 106 -3.878 8.267 -9.815 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.337 10.754 -9.371 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.506 11.594 -8.412 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.085 12.980 -8.195 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.928 13.836 -9.091 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.696 13.208 -7.128 1.00 0.00 O ATOM 0 H GLU A 106 -1.972 9.677 -11.699 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.867 9.238 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.435 11.287 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.341 10.639 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.435 11.080 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.492 11.685 -8.801 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.372 7.398 -8.392 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.229 6.302 -7.956 1.00 0.00 C ATOM 1253 C PHE A 107 -3.646 6.506 -6.498 1.00 0.00 C ATOM 1254 O PHE A 107 -3.151 7.413 -5.829 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.489 4.969 -8.138 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.206 4.626 -9.580 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -3.093 4.978 -10.588 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -1.048 3.946 -9.926 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -2.830 4.659 -11.906 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.782 3.625 -11.243 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.672 3.982 -12.234 1.00 0.00 C ATOM 0 H PHE A 107 -1.454 7.411 -7.948 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.134 6.283 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.547 5.009 -7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.082 4.170 -7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.000 5.508 -10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.345 3.664 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.530 4.939 -12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.124 3.094 -11.497 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.464 3.733 -13.264 1.00 0.00 H new ATOM 1271 N SER A 108 -4.553 5.673 -6.000 1.00 0.00 N ATOM 1272 CA SER A 108 -5.024 5.812 -4.622 1.00 0.00 C ATOM 1273 C SER A 108 -5.618 4.512 -4.081 1.00 0.00 C ATOM 1274 O SER A 108 -5.913 3.584 -4.835 1.00 0.00 O ATOM 1275 CB SER A 108 -6.078 6.920 -4.541 1.00 0.00 C ATOM 1276 OG SER A 108 -7.263 6.552 -5.226 1.00 0.00 O ATOM 0 H SER A 108 -4.974 4.903 -6.520 1.00 0.00 H new ATOM 0 HA SER A 108 -4.159 6.066 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.309 7.130 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.677 7.839 -4.970 1.00 0.00 H new ATOM 0 HG SER A 108 -7.919 7.277 -5.157 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.777 4.462 -2.761 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.352 3.298 -2.085 1.00 0.00 C ATOM 1284 C PHE A 109 -7.123 3.724 -0.831 1.00 0.00 C ATOM 1285 O PHE A 109 -6.667 4.583 -0.072 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.265 2.269 -1.726 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.085 2.828 -0.972 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -3.022 3.409 -1.647 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -4.032 2.757 0.413 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.935 3.911 -0.957 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.946 3.255 1.106 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.896 3.833 0.421 1.00 0.00 C ATOM 0 H PHE A 109 -5.514 5.220 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.050 2.824 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.718 1.478 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.905 1.807 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.044 3.470 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.850 2.307 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.116 4.364 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.918 3.192 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.046 4.223 0.962 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.296 3.126 -0.625 1.00 0.00 N ATOM 1303 CA ALA A 110 -9.130 3.450 0.533 1.00 0.00 C ATOM 1304 C ALA A 110 -10.165 2.360 0.792 1.00 0.00 C ATOM 1305 O ALA A 110 -10.569 1.645 -0.126 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.825 4.789 0.328 1.00 0.00 C ATOM 0 H ALA A 110 -8.690 2.416 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.479 3.515 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.442 5.016 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.077 5.571 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.455 4.740 -0.560 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.595 2.241 2.044 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.589 1.239 2.423 1.00 0.00 C ATOM 1314 C CYS A 111 -12.278 1.621 3.733 1.00 0.00 C ATOM 1315 O CYS A 111 -11.773 2.445 4.492 1.00 0.00 O ATOM 1316 CB CYS A 111 -10.933 -0.137 2.564 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.079 -1.524 2.384 1.00 0.00 S ATOM 0 H CYS A 111 -10.271 2.826 2.815 1.00 0.00 H new ATOM 0 HA CYS A 111 -12.341 1.197 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.146 -0.231 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.453 -0.200 3.541 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.430 -2.643 2.517 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.439 1.022 3.984 1.00 0.00 N ATOM 1324 CA GLY A 112 -14.175 1.304 5.206 1.00 0.00 C ATOM 1325 C GLY A 112 -15.054 2.540 5.105 1.00 0.00 C ATOM 1326 O GLY A 112 -15.966 2.598 4.281 1.00 0.00 O ATOM 0 H GLY A 112 -13.884 0.346 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -14.796 0.444 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.469 1.435 6.026 1.00 0.00 H new ATOM 1330 N MET A 113 -14.775 3.529 5.951 1.00 0.00 N ATOM 1331 CA MET A 113 -15.545 4.773 5.971 1.00 0.00 C ATOM 1332 C MET A 113 -14.702 5.927 6.521 1.00 0.00 C ATOM 1333 O MET A 113 -13.475 5.843 6.547 1.00 0.00 O ATOM 1334 CB MET A 113 -16.811 4.596 6.815 1.00 0.00 C ATOM 1335 CG MET A 113 -18.093 4.957 6.079 1.00 0.00 C ATOM 1336 SD MET A 113 -19.416 5.459 7.197 1.00 0.00 S ATOM 1337 CE MET A 113 -19.306 7.242 7.075 1.00 0.00 C ATOM 0 H MET A 113 -14.019 3.494 6.635 1.00 0.00 H new ATOM 0 HA MET A 113 -15.831 5.015 4.947 1.00 0.00 H new ATOM 0 HB2 MET A 113 -16.873 3.560 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 113 -16.730 5.214 7.709 1.00 0.00 H new ATOM 0 HG2 MET A 113 -17.889 5.765 5.377 1.00 0.00 H new ATOM 0 HG3 MET A 113 -18.424 4.101 5.492 1.00 0.00 H new ATOM 0 HE1 MET A 113 -20.176 7.694 7.551 1.00 0.00 H new ATOM 0 HE2 MET A 113 -18.400 7.586 7.574 1.00 0.00 H new ATOM 0 HE3 MET A 113 -19.275 7.534 6.025 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.377 6.998 6.959 1.00 0.00 N ATOM 1348 CA ASN A 114 -14.715 8.185 7.518 1.00 0.00 C ATOM 1349 C ASN A 114 -13.925 8.955 6.449 1.00 0.00 C ATOM 1350 O ASN A 114 -14.037 8.676 5.253 1.00 0.00 O ATOM 1351 CB ASN A 114 -13.797 7.801 8.688 1.00 0.00 C ATOM 1352 CG ASN A 114 -13.919 8.756 9.859 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -13.725 9.959 9.714 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -14.239 8.227 11.029 1.00 0.00 N ATOM 0 H ASN A 114 -16.394 7.066 6.936 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.499 8.844 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -14.040 6.791 9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.763 7.784 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.332 8.824 11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -14.392 7.222 11.109 1.00 0.00 H new ATOM 1361 N MET A 115 -13.135 9.932 6.885 1.00 0.00 N ATOM 1362 CA MET A 115 -12.338 10.743 5.964 1.00 0.00 C ATOM 1363 C MET A 115 -10.868 10.311 5.956 1.00 0.00 C ATOM 1364 O MET A 115 -9.983 11.069 6.356 1.00 0.00 O ATOM 1365 CB MET A 115 -12.448 12.224 6.337 1.00 0.00 C ATOM 1366 CG MET A 115 -13.778 12.852 5.956 1.00 0.00 C ATOM 1367 SD MET A 115 -14.624 13.598 7.363 1.00 0.00 S ATOM 1368 CE MET A 115 -15.897 12.379 7.681 1.00 0.00 C ATOM 0 H MET A 115 -13.028 10.183 7.868 1.00 0.00 H new ATOM 0 HA MET A 115 -12.735 10.591 4.960 1.00 0.00 H new ATOM 0 HB2 MET A 115 -12.300 12.331 7.412 1.00 0.00 H new ATOM 0 HB3 MET A 115 -11.643 12.774 5.848 1.00 0.00 H new ATOM 0 HG2 MET A 115 -13.611 13.612 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 115 -14.421 12.091 5.513 1.00 0.00 H new ATOM 0 HE1 MET A 115 -16.505 12.700 8.527 1.00 0.00 H new ATOM 0 HE2 MET A 115 -16.529 12.274 6.799 1.00 0.00 H new ATOM 0 HE3 MET A 115 -15.433 11.420 7.911 1.00 0.00 H new ATOM 1378 N MET A 116 -10.613 9.090 5.496 1.00 0.00 N ATOM 1379 CA MET A 116 -9.248 8.567 5.431 1.00 0.00 C ATOM 1380 C MET A 116 -8.994 7.857 4.100 1.00 0.00 C ATOM 1381 O MET A 116 -9.835 7.101 3.618 1.00 0.00 O ATOM 1382 CB MET A 116 -8.971 7.608 6.600 1.00 0.00 C ATOM 1383 CG MET A 116 -10.180 6.798 7.047 1.00 0.00 C ATOM 1384 SD MET A 116 -10.343 5.227 6.172 1.00 0.00 S ATOM 1385 CE MET A 116 -8.689 4.560 6.334 1.00 0.00 C ATOM 0 H MET A 116 -11.329 8.444 5.163 1.00 0.00 H new ATOM 0 HA MET A 116 -8.567 9.415 5.507 1.00 0.00 H new ATOM 0 HB2 MET A 116 -8.175 6.921 6.310 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.601 8.185 7.448 1.00 0.00 H new ATOM 0 HG2 MET A 116 -10.105 6.605 8.117 1.00 0.00 H new ATOM 0 HG3 MET A 116 -11.083 7.389 6.892 1.00 0.00 H new ATOM 0 HE1 MET A 116 -8.719 3.478 6.207 1.00 0.00 H new ATOM 0 HE2 MET A 116 -8.044 4.997 5.571 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.296 4.799 7.322 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.830 8.115 3.507 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.465 7.498 2.230 1.00 0.00 C ATOM 1397 C HIS A 117 -5.972 7.664 1.941 1.00 0.00 C ATOM 1398 O HIS A 117 -5.335 8.599 2.426 1.00 0.00 O ATOM 1399 CB HIS A 117 -8.297 8.091 1.080 1.00 0.00 C ATOM 1400 CG HIS A 117 -8.003 9.533 0.773 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -7.133 9.930 -0.224 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -8.471 10.674 1.334 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -7.081 11.249 -0.260 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -7.882 11.724 0.674 1.00 0.00 N ATOM 0 H HIS A 117 -7.124 8.745 3.888 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.681 6.432 2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -8.124 7.499 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.354 7.994 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.176 10.744 2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -6.484 11.839 -0.939 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -8.039 12.712 0.874 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.425 6.752 1.144 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.019 6.814 0.790 1.00 0.00 C ATOM 1414 C GLY A 118 -3.815 7.107 -0.686 1.00 0.00 C ATOM 1415 O GLY A 118 -4.651 6.747 -1.516 1.00 0.00 O ATOM 0 H GLY A 118 -5.933 5.968 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.530 7.586 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.540 5.868 1.041 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.712 7.764 -1.015 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.409 8.105 -2.403 1.00 0.00 C ATOM 1421 C LYS A 119 -1.101 7.458 -2.863 1.00 0.00 C ATOM 1422 O LYS A 119 -0.195 7.224 -2.064 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.326 9.623 -2.564 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.794 10.125 -3.921 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.358 11.562 -4.168 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.372 12.558 -3.627 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.788 13.550 -4.658 1.00 0.00 N ATOM 0 H LYS A 119 -2.010 8.073 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.214 7.719 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.927 10.094 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.295 9.939 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.393 9.483 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.880 10.059 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.391 11.735 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.225 11.723 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.249 12.021 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.944 13.082 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.294 14.450 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.545 13.191 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.815 13.702 -4.599 1.00 0.00 H new ATOM 1441 N MET A 120 -1.015 7.166 -4.155 1.00 0.00 N ATOM 1442 CA MET A 120 0.181 6.552 -4.727 1.00 0.00 C ATOM 1443 C MET A 120 0.595 7.262 -6.017 1.00 0.00 C ATOM 1444 O MET A 120 -0.234 7.534 -6.878 1.00 0.00 O ATOM 1445 CB MET A 120 -0.071 5.069 -5.012 1.00 0.00 C ATOM 1446 CG MET A 120 1.178 4.308 -5.422 1.00 0.00 C ATOM 1447 SD MET A 120 0.905 3.246 -6.847 1.00 0.00 S ATOM 1448 CE MET A 120 0.295 1.766 -6.050 1.00 0.00 C ATOM 0 H MET A 120 -1.760 7.344 -4.829 1.00 0.00 H new ATOM 0 HA MET A 120 0.990 6.648 -4.003 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.494 4.603 -4.122 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.816 4.981 -5.803 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.973 5.018 -5.650 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.522 3.703 -4.583 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.510 0.900 -6.677 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.785 1.645 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.782 1.849 -5.903 1.00 0.00 H new ATOM 1458 N ILE A 121 1.879 7.564 -6.149 1.00 0.00 N ATOM 1459 CA ILE A 121 2.376 8.236 -7.346 1.00 0.00 C ATOM 1460 C ILE A 121 3.410 7.369 -8.064 1.00 0.00 C ATOM 1461 O ILE A 121 4.469 7.055 -7.515 1.00 0.00 O ATOM 1462 CB ILE A 121 2.987 9.621 -7.021 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.920 10.553 -6.440 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.599 10.243 -8.270 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.904 10.595 -4.928 1.00 0.00 C ATOM 0 H ILE A 121 2.592 7.357 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 121 1.520 8.392 -8.002 1.00 0.00 H new ATOM 0 HB ILE A 121 3.774 9.481 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.085 11.561 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.940 10.235 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.023 11.216 -8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.385 9.592 -8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.828 10.367 -9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.122 11.276 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.708 9.596 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.870 10.943 -4.563 1.00 0.00 H new ATOM 1477 N VAL A 122 3.090 6.979 -9.294 1.00 0.00 N ATOM 1478 CA VAL A 122 3.984 6.146 -10.089 1.00 0.00 C ATOM 1479 C VAL A 122 4.737 6.979 -11.127 1.00 0.00 C ATOM 1480 O VAL A 122 4.131 7.645 -11.966 1.00 0.00 O ATOM 1481 CB VAL A 122 3.208 5.012 -10.793 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.124 4.205 -11.703 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.546 4.108 -9.767 1.00 0.00 C ATOM 0 H VAL A 122 2.218 7.227 -9.761 1.00 0.00 H new ATOM 0 HA VAL A 122 4.708 5.703 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 122 2.433 5.465 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.551 3.413 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.551 4.860 -12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.927 3.764 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.003 3.314 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.308 3.670 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.851 4.691 -9.162 1.00 0.00 H new ATOM 1493 N GLU A 123 6.066 6.938 -11.059 1.00 0.00 N ATOM 1494 CA GLU A 123 6.908 7.695 -11.989 1.00 0.00 C ATOM 1495 C GLU A 123 8.255 7.001 -12.221 1.00 0.00 C ATOM 1496 O GLU A 123 8.250 5.824 -12.642 1.00 0.00 O ATOM 1497 CB GLU A 123 7.141 9.113 -11.457 1.00 0.00 C ATOM 1498 CG GLU A 123 6.682 10.211 -12.409 1.00 0.00 C ATOM 1499 CD GLU A 123 7.795 10.708 -13.313 1.00 0.00 C ATOM 1500 OE1 GLU A 123 8.695 9.903 -13.638 1.00 0.00 O ATOM 1501 OE2 GLU A 123 7.767 11.897 -13.693 1.00 0.00 O ATOM 0 H GLU A 123 6.584 6.390 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 123 6.384 7.746 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.617 9.226 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 123 8.203 9.244 -11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.863 9.835 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.290 11.047 -11.830 1.00 0.00 H new TER 1508 GLU A 123