USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.29) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot -6:sc= 0.531 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 18 THR OG1 : rot -26:sc= -0.592! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 78:sc= 1.16 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.2! C(o=-3.2!,f=-4.6!) USER MOD Single : A 39 MET CE :methyl -151:sc= -1.91 (180deg=-5.82!) USER MOD Single : A 42 ASN : amide:sc= -0.0875 X(o=-0.088,f=-0.5) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 46 GLN : amide:sc= -4.02 X(o=-4,f=-4.4!) USER MOD Single : A 57 MET CE :methyl -102:sc= -4.81! (180deg=-7.98!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 73:sc= 0.0185 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 76 MET CE :methyl 151:sc= -0.572 (180deg=-0.935) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -1.44 USER MOD Single : A 80 LYS NZ :NH3+ -142:sc= 0.801 (180deg=0.169) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.00074) USER MOD Single : A 83 MET CE :methyl -157:sc= -0.457 (180deg=-0.933) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -114:sc= -2.06! USER MOD Single : A 97 SER OG : rot 56:sc= 0.0501 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.393 -3.420 11.520 1.00 0.00 N ATOM 2 CA GLY A 1 -28.018 -3.754 11.849 1.00 0.00 C ATOM 3 C GLY A 1 -27.091 -3.491 10.661 1.00 0.00 C ATOM 4 O GLY A 1 -27.551 -3.146 9.574 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.663 -2.542 12.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.481 -3.286 10.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.020 -4.192 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.692 -3.165 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.954 -4.803 12.140 1.00 0.00 H new ATOM 8 N SER A 2 -25.801 -3.665 10.908 1.00 0.00 N ATOM 9 CA SER A 2 -24.805 -3.452 9.872 1.00 0.00 C ATOM 10 C SER A 2 -24.703 -4.691 8.980 1.00 0.00 C ATOM 11 O SER A 2 -24.442 -5.790 9.466 1.00 0.00 O ATOM 12 CB SER A 2 -23.440 -3.122 10.480 1.00 0.00 C ATOM 13 OG SER A 2 -22.743 -4.293 10.896 1.00 0.00 O ATOM 0 H SER A 2 -25.423 -3.951 11.811 1.00 0.00 H new ATOM 0 HA SER A 2 -25.119 -2.602 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.838 -2.583 9.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.575 -2.458 11.334 1.00 0.00 H new ATOM 0 HG SER A 2 -23.327 -5.074 10.797 1.00 0.00 H new ATOM 19 N SER A 3 -24.914 -4.471 7.691 1.00 0.00 N ATOM 20 CA SER A 3 -24.850 -5.556 6.727 1.00 0.00 C ATOM 21 C SER A 3 -23.390 -5.885 6.405 1.00 0.00 C ATOM 22 O SER A 3 -22.498 -5.078 6.662 1.00 0.00 O ATOM 23 CB SER A 3 -25.608 -5.201 5.446 1.00 0.00 C ATOM 24 OG SER A 3 -24.817 -4.418 4.557 1.00 0.00 O ATOM 0 H SER A 3 -25.129 -3.558 7.292 1.00 0.00 H new ATOM 0 HA SER A 3 -25.325 -6.432 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.919 -6.117 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.515 -4.654 5.702 1.00 0.00 H new ATOM 0 HG SER A 3 -25.336 -4.214 3.751 1.00 0.00 H new ATOM 30 N GLY A 4 -23.193 -7.071 5.849 1.00 0.00 N ATOM 31 CA GLY A 4 -21.857 -7.516 5.490 1.00 0.00 C ATOM 32 C GLY A 4 -21.903 -8.504 4.322 1.00 0.00 C ATOM 33 O GLY A 4 -22.546 -8.241 3.307 1.00 0.00 O ATOM 0 H GLY A 4 -23.936 -7.737 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.244 -6.656 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.383 -7.987 6.351 1.00 0.00 H new ATOM 37 N SER A 5 -21.214 -9.621 4.506 1.00 0.00 N ATOM 38 CA SER A 5 -21.169 -10.649 3.481 1.00 0.00 C ATOM 39 C SER A 5 -20.543 -10.087 2.203 1.00 0.00 C ATOM 40 O SER A 5 -21.114 -9.203 1.566 1.00 0.00 O ATOM 41 CB SER A 5 -22.566 -11.200 3.191 1.00 0.00 C ATOM 42 OG SER A 5 -22.551 -12.608 2.971 1.00 0.00 O ATOM 0 H SER A 5 -20.683 -9.836 5.350 1.00 0.00 H new ATOM 0 HA SER A 5 -20.554 -11.471 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.227 -10.971 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.977 -10.701 2.314 1.00 0.00 H new ATOM 0 HG SER A 5 -23.462 -12.921 2.791 1.00 0.00 H new ATOM 48 N SER A 6 -19.379 -10.623 1.866 1.00 0.00 N ATOM 49 CA SER A 6 -18.671 -10.186 0.675 1.00 0.00 C ATOM 50 C SER A 6 -17.345 -10.940 0.549 1.00 0.00 C ATOM 51 O SER A 6 -16.732 -11.298 1.554 1.00 0.00 O ATOM 52 CB SER A 6 -18.422 -8.676 0.706 1.00 0.00 C ATOM 53 OG SER A 6 -17.395 -8.286 -0.202 1.00 0.00 O ATOM 0 H SER A 6 -18.909 -11.356 2.397 1.00 0.00 H new ATOM 0 HA SER A 6 -19.292 -10.407 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.344 -8.151 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.146 -8.375 1.717 1.00 0.00 H new ATOM 0 HG SER A 6 -17.267 -7.316 -0.154 1.00 0.00 H new ATOM 59 N GLY A 7 -16.942 -11.158 -0.694 1.00 0.00 N ATOM 60 CA GLY A 7 -15.700 -11.863 -0.965 1.00 0.00 C ATOM 61 C GLY A 7 -14.601 -10.891 -1.397 1.00 0.00 C ATOM 62 O GLY A 7 -14.003 -10.214 -0.563 1.00 0.00 O ATOM 0 H GLY A 7 -17.453 -10.859 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.382 -12.403 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.862 -12.605 -1.747 1.00 0.00 H new ATOM 66 N GLU A 8 -14.369 -10.852 -2.701 1.00 0.00 N ATOM 67 CA GLU A 8 -13.352 -9.974 -3.255 1.00 0.00 C ATOM 68 C GLU A 8 -11.969 -10.367 -2.731 1.00 0.00 C ATOM 69 O GLU A 8 -11.852 -10.956 -1.657 1.00 0.00 O ATOM 70 CB GLU A 8 -13.662 -8.510 -2.940 1.00 0.00 C ATOM 71 CG GLU A 8 -13.472 -7.630 -4.177 1.00 0.00 C ATOM 72 CD GLU A 8 -13.249 -6.169 -3.783 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.842 -5.760 -2.761 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.492 -5.493 -4.512 1.00 0.00 O ATOM 0 H GLU A 8 -14.868 -11.414 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.353 -10.086 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.687 -8.421 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.011 -8.161 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.620 -7.988 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.349 -7.707 -4.820 1.00 0.00 H new ATOM 81 N GLY A 9 -10.956 -10.026 -3.514 1.00 0.00 N ATOM 82 CA GLY A 9 -9.586 -10.335 -3.143 1.00 0.00 C ATOM 83 C GLY A 9 -8.943 -9.166 -2.395 1.00 0.00 C ATOM 84 O GLY A 9 -9.637 -8.374 -1.759 1.00 0.00 O ATOM 0 H GLY A 9 -11.057 -9.538 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.568 -11.227 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.006 -10.562 -4.037 1.00 0.00 H new ATOM 88 N TYR A 10 -7.624 -9.094 -2.495 1.00 0.00 N ATOM 89 CA TYR A 10 -6.880 -8.035 -1.836 1.00 0.00 C ATOM 90 C TYR A 10 -6.103 -7.196 -2.853 1.00 0.00 C ATOM 91 O TYR A 10 -6.317 -5.989 -2.960 1.00 0.00 O ATOM 92 CB TYR A 10 -5.886 -8.733 -0.905 1.00 0.00 C ATOM 93 CG TYR A 10 -6.530 -9.362 0.332 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.028 -8.557 1.336 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.613 -10.735 0.444 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.634 -9.149 2.500 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.218 -11.328 1.609 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.699 -10.505 2.579 1.00 0.00 C ATOM 99 OH TYR A 10 -8.271 -11.065 3.679 1.00 0.00 O ATOM 0 H TYR A 10 -7.051 -9.752 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.556 -7.367 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.363 -9.509 -1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.135 -8.011 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.963 -7.482 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.224 -11.365 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.028 -8.530 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.288 -12.401 1.710 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.249 -12.041 3.598 1.00 0.00 H new ATOM 109 N GLU A 11 -5.218 -7.868 -3.575 1.00 0.00 N ATOM 110 CA GLU A 11 -4.409 -7.199 -4.579 1.00 0.00 C ATOM 111 C GLU A 11 -5.248 -6.166 -5.334 1.00 0.00 C ATOM 112 O GLU A 11 -4.903 -4.985 -5.366 1.00 0.00 O ATOM 113 CB GLU A 11 -3.787 -8.210 -5.544 1.00 0.00 C ATOM 114 CG GLU A 11 -2.671 -9.004 -4.862 1.00 0.00 C ATOM 115 CD GLU A 11 -3.116 -10.438 -4.571 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.007 -10.591 -3.708 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.556 -11.349 -5.218 1.00 0.00 O ATOM 0 H GLU A 11 -5.044 -8.869 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.595 -6.679 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.555 -8.893 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.388 -7.689 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.787 -9.016 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.386 -8.512 -3.932 1.00 0.00 H new ATOM 124 N GLN A 12 -6.332 -6.647 -5.924 1.00 0.00 N ATOM 125 CA GLN A 12 -7.222 -5.779 -6.677 1.00 0.00 C ATOM 126 C GLN A 12 -7.386 -4.437 -5.961 1.00 0.00 C ATOM 127 O GLN A 12 -7.162 -3.382 -6.553 1.00 0.00 O ATOM 128 CB GLN A 12 -8.579 -6.449 -6.902 1.00 0.00 C ATOM 129 CG GLN A 12 -9.374 -5.724 -7.990 1.00 0.00 C ATOM 130 CD GLN A 12 -10.792 -6.289 -8.101 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.026 -7.479 -7.974 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.722 -5.370 -8.345 1.00 0.00 N ATOM 0 H GLN A 12 -6.615 -7.627 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.777 -5.595 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.432 -7.491 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.147 -6.451 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.420 -4.659 -7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.863 -5.825 -8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.457 -4.390 -8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.700 -5.646 -8.437 1.00 0.00 H new ATOM 141 N ASP A 13 -7.774 -4.520 -4.697 1.00 0.00 N ATOM 142 CA ASP A 13 -7.970 -3.325 -3.895 1.00 0.00 C ATOM 143 C ASP A 13 -6.660 -2.536 -3.833 1.00 0.00 C ATOM 144 O ASP A 13 -6.611 -1.376 -4.237 1.00 0.00 O ATOM 145 CB ASP A 13 -8.374 -3.683 -2.463 1.00 0.00 C ATOM 146 CG ASP A 13 -9.128 -2.585 -1.710 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.982 -1.939 -2.354 1.00 0.00 O ATOM 148 OD2 ASP A 13 -8.833 -2.416 -0.507 1.00 0.00 O ATOM 0 H ASP A 13 -7.958 -5.396 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.762 -2.735 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.997 -4.577 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.475 -3.937 -1.901 1.00 0.00 H new ATOM 153 N PHE A 14 -5.631 -3.199 -3.325 1.00 0.00 N ATOM 154 CA PHE A 14 -4.325 -2.574 -3.206 1.00 0.00 C ATOM 155 C PHE A 14 -3.910 -1.915 -4.522 1.00 0.00 C ATOM 156 O PHE A 14 -3.642 -0.715 -4.563 1.00 0.00 O ATOM 157 CB PHE A 14 -3.328 -3.685 -2.869 1.00 0.00 C ATOM 158 CG PHE A 14 -1.894 -3.192 -2.660 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.050 -3.089 -3.721 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.465 -2.856 -1.414 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.281 -2.632 -3.528 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.135 -2.399 -1.221 1.00 0.00 C ATOM 163 CZ PHE A 14 0.710 -2.296 -2.282 1.00 0.00 C ATOM 0 H PHE A 14 -5.676 -4.162 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.350 -1.802 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.661 -4.196 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.335 -4.421 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.392 -3.355 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.136 -2.937 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.952 -2.551 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.206 -2.133 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.722 -1.947 -2.135 1.00 0.00 H new ATOM 173 N ALA A 15 -3.870 -2.728 -5.568 1.00 0.00 N ATOM 174 CA ALA A 15 -3.492 -2.239 -6.882 1.00 0.00 C ATOM 175 C ALA A 15 -4.196 -0.907 -7.148 1.00 0.00 C ATOM 176 O ALA A 15 -3.548 0.090 -7.464 1.00 0.00 O ATOM 177 CB ALA A 15 -3.827 -3.296 -7.937 1.00 0.00 C ATOM 0 H ALA A 15 -4.093 -3.723 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.418 -2.060 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.543 -2.929 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.279 -4.213 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.898 -3.500 -7.920 1.00 0.00 H new ATOM 183 N VAL A 16 -5.514 -0.933 -7.010 1.00 0.00 N ATOM 184 CA VAL A 16 -6.313 0.260 -7.231 1.00 0.00 C ATOM 185 C VAL A 16 -5.784 1.394 -6.350 1.00 0.00 C ATOM 186 O VAL A 16 -5.585 2.511 -6.824 1.00 0.00 O ATOM 187 CB VAL A 16 -7.792 -0.048 -6.985 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.593 1.240 -6.779 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.376 -0.881 -8.127 1.00 0.00 C ATOM 0 H VAL A 16 -6.048 -1.762 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.231 0.588 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.864 -0.637 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.641 0.993 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.200 1.779 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.510 1.866 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.428 -1.086 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.285 -0.330 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.832 -1.822 -8.206 1.00 0.00 H new ATOM 199 N LEU A 17 -5.570 1.066 -5.084 1.00 0.00 N ATOM 200 CA LEU A 17 -5.068 2.043 -4.133 1.00 0.00 C ATOM 201 C LEU A 17 -3.790 2.678 -4.687 1.00 0.00 C ATOM 202 O LEU A 17 -3.785 3.852 -5.054 1.00 0.00 O ATOM 203 CB LEU A 17 -4.889 1.405 -2.754 1.00 0.00 C ATOM 204 CG LEU A 17 -6.123 1.409 -1.849 1.00 0.00 C ATOM 205 CD1 LEU A 17 -5.893 0.546 -0.606 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.534 2.837 -1.487 1.00 0.00 C ATOM 0 H LEU A 17 -5.735 0.138 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.791 2.847 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.567 0.373 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.082 1.924 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.952 0.966 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.785 0.566 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.685 -0.480 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.045 0.937 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.413 2.810 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.715 3.329 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.767 3.390 -2.397 1.00 0.00 H new ATOM 218 N THR A 18 -2.739 1.873 -4.731 1.00 0.00 N ATOM 219 CA THR A 18 -1.459 2.341 -5.234 1.00 0.00 C ATOM 220 C THR A 18 -1.663 3.257 -6.442 1.00 0.00 C ATOM 221 O THR A 18 -1.443 4.464 -6.355 1.00 0.00 O ATOM 222 CB THR A 18 -0.594 1.116 -5.539 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.417 0.311 -6.378 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.355 0.246 -4.304 1.00 0.00 C ATOM 0 H THR A 18 -2.748 0.900 -4.427 1.00 0.00 H new ATOM 0 HA THR A 18 -0.940 2.946 -4.491 1.00 0.00 H new ATOM 0 HB THR A 18 0.364 1.440 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.360 0.510 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.264 -0.609 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.153 0.833 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.311 -0.107 -3.917 1.00 0.00 H new ATOM 232 N ALA A 19 -2.081 2.648 -7.542 1.00 0.00 N ATOM 233 CA ALA A 19 -2.318 3.393 -8.766 1.00 0.00 C ATOM 234 C ALA A 19 -2.983 4.729 -8.425 1.00 0.00 C ATOM 235 O ALA A 19 -2.501 5.787 -8.827 1.00 0.00 O ATOM 236 CB ALA A 19 -3.163 2.549 -9.723 1.00 0.00 C ATOM 0 H ALA A 19 -2.262 1.646 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.376 3.612 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.341 3.108 -10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.634 1.625 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.117 2.311 -9.253 1.00 0.00 H new ATOM 242 N GLU A 20 -4.080 4.636 -7.687 1.00 0.00 N ATOM 243 CA GLU A 20 -4.815 5.823 -7.288 1.00 0.00 C ATOM 244 C GLU A 20 -3.892 6.797 -6.552 1.00 0.00 C ATOM 245 O GLU A 20 -3.830 7.977 -6.895 1.00 0.00 O ATOM 246 CB GLU A 20 -6.024 5.455 -6.424 1.00 0.00 C ATOM 247 CG GLU A 20 -7.067 6.574 -6.435 1.00 0.00 C ATOM 248 CD GLU A 20 -7.631 6.810 -5.032 1.00 0.00 C ATOM 249 OE1 GLU A 20 -6.813 6.830 -4.087 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.868 6.966 -4.937 1.00 0.00 O ATOM 0 H GLU A 20 -4.477 3.757 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.188 6.315 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.472 4.532 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.700 5.265 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.616 7.493 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.876 6.315 -7.118 1.00 0.00 H new ATOM 257 N ILE A 21 -3.199 6.267 -5.556 1.00 0.00 N ATOM 258 CA ILE A 21 -2.282 7.074 -4.769 1.00 0.00 C ATOM 259 C ILE A 21 -1.237 7.700 -5.695 1.00 0.00 C ATOM 260 O ILE A 21 -1.171 8.921 -5.827 1.00 0.00 O ATOM 261 CB ILE A 21 -1.680 6.247 -3.632 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.776 5.662 -2.739 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.667 7.069 -2.833 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.234 4.513 -1.887 1.00 0.00 C ATOM 0 H ILE A 21 -3.254 5.288 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.814 7.894 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.140 5.407 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.177 6.442 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.600 5.304 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.254 6.457 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.138 7.395 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.162 7.941 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.033 4.115 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.856 3.725 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.426 4.879 -1.254 1.00 0.00 H new ATOM 276 N THR A 22 -0.446 6.834 -6.312 1.00 0.00 N ATOM 277 CA THR A 22 0.592 7.287 -7.222 1.00 0.00 C ATOM 278 C THR A 22 0.104 8.489 -8.033 1.00 0.00 C ATOM 279 O THR A 22 0.852 9.441 -8.250 1.00 0.00 O ATOM 280 CB THR A 22 1.012 6.098 -8.089 1.00 0.00 C ATOM 281 OG1 THR A 22 2.434 6.183 -8.130 1.00 0.00 O ATOM 282 CG2 THR A 22 0.587 6.260 -9.550 1.00 0.00 C ATOM 0 H THR A 22 -0.503 5.822 -6.200 1.00 0.00 H new ATOM 0 HA THR A 22 1.469 7.637 -6.678 1.00 0.00 H new ATOM 0 HB THR A 22 0.579 5.183 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.790 5.448 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.909 5.389 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.498 6.349 -9.606 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.046 7.157 -9.965 1.00 0.00 H new ATOM 290 N SER A 23 -1.147 8.405 -8.460 1.00 0.00 N ATOM 291 CA SER A 23 -1.744 9.474 -9.242 1.00 0.00 C ATOM 292 C SER A 23 -1.788 10.763 -8.420 1.00 0.00 C ATOM 293 O SER A 23 -1.103 11.733 -8.741 1.00 0.00 O ATOM 294 CB SER A 23 -3.150 9.095 -9.711 1.00 0.00 C ATOM 295 OG SER A 23 -3.208 7.757 -10.199 1.00 0.00 O ATOM 0 H SER A 23 -1.764 7.613 -8.279 1.00 0.00 H new ATOM 0 HA SER A 23 -1.127 9.636 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.851 9.210 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.467 9.781 -10.496 1.00 0.00 H new ATOM 0 HG SER A 23 -3.232 7.134 -9.443 1.00 0.00 H new ATOM 301 N LYS A 24 -2.602 10.733 -7.374 1.00 0.00 N ATOM 302 CA LYS A 24 -2.745 11.887 -6.503 1.00 0.00 C ATOM 303 C LYS A 24 -1.358 12.424 -6.144 1.00 0.00 C ATOM 304 O LYS A 24 -1.181 13.628 -5.970 1.00 0.00 O ATOM 305 CB LYS A 24 -3.603 11.536 -5.286 1.00 0.00 C ATOM 306 CG LYS A 24 -5.092 11.565 -5.638 1.00 0.00 C ATOM 307 CD LYS A 24 -5.623 10.152 -5.886 1.00 0.00 C ATOM 308 CE LYS A 24 -6.004 9.959 -7.356 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.472 10.040 -7.525 1.00 0.00 N ATOM 0 H LYS A 24 -3.169 9.927 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.275 12.689 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.332 10.546 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.402 12.241 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.652 12.031 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.248 12.177 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.866 9.420 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.493 9.970 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.519 10.721 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.644 8.992 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.714 9.907 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.928 9.298 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.807 10.972 -7.209 1.00 0.00 H new ATOM 323 N ILE A 25 -0.410 11.503 -6.043 1.00 0.00 N ATOM 324 CA ILE A 25 0.955 11.869 -5.708 1.00 0.00 C ATOM 325 C ILE A 25 1.561 12.673 -6.860 1.00 0.00 C ATOM 326 O ILE A 25 2.288 13.639 -6.633 1.00 0.00 O ATOM 327 CB ILE A 25 1.766 10.627 -5.332 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.316 10.067 -3.981 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.267 10.923 -5.359 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.914 8.680 -3.736 1.00 0.00 C ATOM 0 H ILE A 25 -0.561 10.505 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 25 0.971 12.511 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 25 1.577 9.856 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.620 10.744 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.228 10.008 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.820 10.024 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.557 11.240 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.494 11.717 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.579 8.305 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.588 7.999 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.002 8.747 -3.742 1.00 0.00 H new ATOM 342 N ALA A 26 1.239 12.245 -8.072 1.00 0.00 N ATOM 343 CA ALA A 26 1.742 12.913 -9.260 1.00 0.00 C ATOM 344 C ALA A 26 0.954 14.205 -9.486 1.00 0.00 C ATOM 345 O ALA A 26 1.331 15.028 -10.318 1.00 0.00 O ATOM 346 CB ALA A 26 1.658 11.962 -10.455 1.00 0.00 C ATOM 0 H ALA A 26 0.636 11.444 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 26 2.790 13.184 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.035 12.463 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.258 11.074 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.620 11.670 -10.615 1.00 0.00 H new ATOM 352 N ARG A 27 -0.126 14.341 -8.731 1.00 0.00 N ATOM 353 CA ARG A 27 -0.971 15.518 -8.838 1.00 0.00 C ATOM 354 C ARG A 27 -0.643 16.511 -7.721 1.00 0.00 C ATOM 355 O ARG A 27 -0.954 17.696 -7.827 1.00 0.00 O ATOM 356 CB ARG A 27 -2.452 15.143 -8.760 1.00 0.00 C ATOM 357 CG ARG A 27 -2.953 14.607 -10.102 1.00 0.00 C ATOM 358 CD ARG A 27 -4.458 14.837 -10.257 1.00 0.00 C ATOM 359 NE ARG A 27 -4.890 14.457 -11.621 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.990 14.934 -12.220 1.00 0.00 C ATOM 361 NH1 ARG A 27 -6.775 15.811 -11.580 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.305 14.533 -13.460 1.00 0.00 N ATOM 0 H ARG A 27 -0.435 13.655 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.776 15.978 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.600 14.390 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.037 16.016 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.421 15.099 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.735 13.542 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.002 14.250 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.695 15.884 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.315 13.791 -12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.536 16.116 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.612 16.174 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.708 13.865 -13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.142 14.896 -13.916 1.00 0.00 H new ATOM 376 N VAL A 28 -0.020 15.989 -6.674 1.00 0.00 N ATOM 377 CA VAL A 28 0.353 16.815 -5.538 1.00 0.00 C ATOM 378 C VAL A 28 1.109 18.048 -6.035 1.00 0.00 C ATOM 379 O VAL A 28 0.777 19.174 -5.667 1.00 0.00 O ATOM 380 CB VAL A 28 1.155 15.987 -4.531 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.353 16.779 -4.002 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.265 15.507 -3.383 1.00 0.00 C ATOM 0 H VAL A 28 0.236 15.005 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.535 17.169 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 28 1.537 15.107 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.906 16.169 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.006 17.049 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.001 17.685 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.860 14.921 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.160 16.368 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.540 14.889 -3.781 1.00 0.00 H new ATOM 392 N PRO A 29 2.137 17.788 -6.886 1.00 0.00 N ATOM 393 CA PRO A 29 2.943 18.864 -7.438 1.00 0.00 C ATOM 394 C PRO A 29 2.181 19.614 -8.532 1.00 0.00 C ATOM 395 O PRO A 29 2.721 20.525 -9.157 1.00 0.00 O ATOM 396 CB PRO A 29 4.204 18.188 -7.949 1.00 0.00 C ATOM 397 CG PRO A 29 3.861 16.714 -8.087 1.00 0.00 C ATOM 398 CD PRO A 29 2.558 16.467 -7.345 1.00 0.00 C ATOM 0 HA PRO A 29 3.188 19.628 -6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.512 18.608 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.033 18.333 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.759 16.443 -9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.658 16.096 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.810 16.017 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.702 15.784 -6.508 1.00 0.00 H new ATOM 406 N ARG A 30 0.937 19.202 -8.731 1.00 0.00 N ATOM 407 CA ARG A 30 0.095 19.824 -9.740 1.00 0.00 C ATOM 408 C ARG A 30 -1.259 20.206 -9.138 1.00 0.00 C ATOM 409 O ARG A 30 -2.285 20.133 -9.814 1.00 0.00 O ATOM 410 CB ARG A 30 -0.128 18.884 -10.926 1.00 0.00 C ATOM 411 CG ARG A 30 1.125 18.798 -11.801 1.00 0.00 C ATOM 412 CD ARG A 30 1.064 17.582 -12.728 1.00 0.00 C ATOM 413 NE ARG A 30 2.406 17.302 -13.283 1.00 0.00 N ATOM 414 CZ ARG A 30 2.761 16.135 -13.838 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.875 15.133 -13.915 1.00 0.00 N ATOM 416 NH2 ARG A 30 4.002 15.970 -14.317 1.00 0.00 N ATOM 0 H ARG A 30 0.492 18.446 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 30 0.605 20.720 -10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.391 17.891 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.969 19.238 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.222 19.707 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.011 18.734 -11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.700 16.714 -12.179 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.358 17.766 -13.537 1.00 0.00 H new ATOM 0 HE ARG A 30 3.105 18.044 -13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.930 15.258 -13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.145 14.245 -14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.677 16.733 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.272 15.082 -14.739 1.00 0.00 H new ATOM 430 N LEU A 31 -1.219 20.605 -7.876 1.00 0.00 N ATOM 431 CA LEU A 31 -2.430 20.998 -7.176 1.00 0.00 C ATOM 432 C LEU A 31 -2.141 22.234 -6.321 1.00 0.00 C ATOM 433 O LEU A 31 -0.995 22.483 -5.950 1.00 0.00 O ATOM 434 CB LEU A 31 -2.997 19.820 -6.382 1.00 0.00 C ATOM 435 CG LEU A 31 -3.643 18.704 -7.206 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.796 17.428 -6.376 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.975 19.164 -7.802 1.00 0.00 C ATOM 0 H LEU A 31 -0.366 20.665 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.208 21.276 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.192 19.387 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.739 20.203 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.982 18.468 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.258 16.651 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.815 17.092 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.425 17.631 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.413 18.352 -8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.656 19.444 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.806 20.024 -8.450 1.00 0.00 H new ATOM 449 N PRO A 32 -3.229 22.996 -6.027 1.00 0.00 N ATOM 450 CA PRO A 32 -3.104 24.199 -5.223 1.00 0.00 C ATOM 451 C PRO A 32 -2.902 23.854 -3.746 1.00 0.00 C ATOM 452 O PRO A 32 -2.972 22.687 -3.362 1.00 0.00 O ATOM 453 CB PRO A 32 -4.382 24.980 -5.481 1.00 0.00 C ATOM 454 CG PRO A 32 -5.374 23.978 -6.049 1.00 0.00 C ATOM 455 CD PRO A 32 -4.601 22.732 -6.449 1.00 0.00 C ATOM 0 HA PRO A 32 -2.230 24.793 -5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.760 25.426 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.206 25.796 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.136 23.733 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.891 24.400 -6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.002 21.844 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.658 22.558 -7.524 1.00 0.00 H new ATOM 463 N PRO A 33 -2.649 24.917 -2.936 1.00 0.00 N ATOM 464 CA PRO A 33 -2.437 24.738 -1.510 1.00 0.00 C ATOM 465 C PRO A 33 -3.758 24.459 -0.790 1.00 0.00 C ATOM 466 O PRO A 33 -3.786 24.323 0.432 1.00 0.00 O ATOM 467 CB PRO A 33 -1.768 26.022 -1.047 1.00 0.00 C ATOM 468 CG PRO A 33 -2.050 27.052 -2.129 1.00 0.00 C ATOM 469 CD PRO A 33 -2.560 26.313 -3.355 1.00 0.00 C ATOM 0 HA PRO A 33 -1.812 23.875 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.167 26.346 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.696 25.878 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.789 27.775 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.145 27.611 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.531 26.694 -3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.881 26.431 -4.199 1.00 0.00 H new ATOM 477 N ASP A 34 -4.820 24.383 -1.578 1.00 0.00 N ATOM 478 CA ASP A 34 -6.141 24.123 -1.031 1.00 0.00 C ATOM 479 C ASP A 34 -6.492 22.648 -1.235 1.00 0.00 C ATOM 480 O ASP A 34 -6.972 21.987 -0.315 1.00 0.00 O ATOM 481 CB ASP A 34 -7.206 24.964 -1.738 1.00 0.00 C ATOM 482 CG ASP A 34 -7.430 26.356 -1.144 1.00 0.00 C ATOM 483 OD1 ASP A 34 -7.026 26.547 0.024 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.999 27.199 -1.871 1.00 0.00 O ATOM 0 H ASP A 34 -4.793 24.497 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.123 24.380 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.925 25.073 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.150 24.420 -1.717 1.00 0.00 H new ATOM 489 N GLU A 35 -6.238 22.174 -2.446 1.00 0.00 N ATOM 490 CA GLU A 35 -6.521 20.789 -2.783 1.00 0.00 C ATOM 491 C GLU A 35 -5.347 19.895 -2.379 1.00 0.00 C ATOM 492 O GLU A 35 -5.546 18.758 -1.952 1.00 0.00 O ATOM 493 CB GLU A 35 -6.836 20.641 -4.272 1.00 0.00 C ATOM 494 CG GLU A 35 -8.315 20.314 -4.489 1.00 0.00 C ATOM 495 CD GLU A 35 -8.559 18.805 -4.426 1.00 0.00 C ATOM 496 OE1 GLU A 35 -7.848 18.084 -5.160 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.450 18.406 -3.646 1.00 0.00 O ATOM 0 H GLU A 35 -5.839 22.725 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.403 20.472 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.583 21.564 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.218 19.852 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.917 20.815 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.638 20.698 -5.457 1.00 0.00 H new ATOM 504 N LYS A 36 -4.149 20.441 -2.528 1.00 0.00 N ATOM 505 CA LYS A 36 -2.944 19.707 -2.184 1.00 0.00 C ATOM 506 C LYS A 36 -3.068 19.171 -0.756 1.00 0.00 C ATOM 507 O LYS A 36 -2.936 17.970 -0.527 1.00 0.00 O ATOM 508 CB LYS A 36 -1.704 20.575 -2.409 1.00 0.00 C ATOM 509 CG LYS A 36 -0.425 19.800 -2.089 1.00 0.00 C ATOM 510 CD LYS A 36 0.801 20.493 -2.687 1.00 0.00 C ATOM 511 CE LYS A 36 2.034 20.282 -1.806 1.00 0.00 C ATOM 512 NZ LYS A 36 2.969 21.421 -1.942 1.00 0.00 N ATOM 0 H LYS A 36 -3.987 21.384 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.824 18.845 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.677 20.915 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.760 21.465 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.308 19.715 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.502 18.786 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.993 20.102 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.604 21.560 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.730 20.176 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.536 19.356 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.800 21.262 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.273 21.505 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.492 22.298 -1.651 1.00 0.00 H new ATOM 526 N LYS A 37 -3.319 20.088 0.166 1.00 0.00 N ATOM 527 CA LYS A 37 -3.463 19.723 1.565 1.00 0.00 C ATOM 528 C LYS A 37 -4.251 18.416 1.668 1.00 0.00 C ATOM 529 O LYS A 37 -3.745 17.421 2.186 1.00 0.00 O ATOM 530 CB LYS A 37 -4.078 20.876 2.360 1.00 0.00 C ATOM 531 CG LYS A 37 -3.249 21.186 3.608 1.00 0.00 C ATOM 532 CD LYS A 37 -2.388 22.434 3.399 1.00 0.00 C ATOM 533 CE LYS A 37 -1.864 22.969 4.733 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.413 23.243 4.648 1.00 0.00 N ATOM 0 H LYS A 37 -3.426 21.084 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.486 19.543 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.140 21.764 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.097 20.619 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.911 21.335 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.611 20.335 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.550 22.196 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.974 23.205 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.397 23.881 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.057 22.244 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.074 23.605 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.093 22.365 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.236 23.952 3.908 1.00 0.00 H new ATOM 548 N GLN A 38 -5.477 18.460 1.168 1.00 0.00 N ATOM 549 CA GLN A 38 -6.340 17.292 1.197 1.00 0.00 C ATOM 550 C GLN A 38 -5.626 16.088 0.579 1.00 0.00 C ATOM 551 O GLN A 38 -5.539 15.029 1.198 1.00 0.00 O ATOM 552 CB GLN A 38 -7.664 17.570 0.482 1.00 0.00 C ATOM 553 CG GLN A 38 -8.532 18.535 1.292 1.00 0.00 C ATOM 554 CD GLN A 38 -8.525 19.933 0.671 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.746 20.115 -0.515 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.259 20.908 1.536 1.00 0.00 N ATOM 0 H GLN A 38 -5.893 19.287 0.740 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.568 17.060 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.468 17.992 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.201 16.634 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.554 18.159 1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.165 18.587 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.083 20.686 2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.231 21.877 1.219 1.00 0.00 H new ATOM 565 N MET A 39 -5.132 16.292 -0.634 1.00 0.00 N ATOM 566 CA MET A 39 -4.428 15.237 -1.342 1.00 0.00 C ATOM 567 C MET A 39 -3.273 14.688 -0.501 1.00 0.00 C ATOM 568 O MET A 39 -3.027 13.483 -0.489 1.00 0.00 O ATOM 569 CB MET A 39 -3.883 15.784 -2.663 1.00 0.00 C ATOM 570 CG MET A 39 -3.131 14.699 -3.437 1.00 0.00 C ATOM 571 SD MET A 39 -3.606 14.736 -5.157 1.00 0.00 S ATOM 572 CE MET A 39 -5.382 14.680 -4.989 1.00 0.00 C ATOM 0 H MET A 39 -5.206 17.172 -1.144 1.00 0.00 H new ATOM 0 HA MET A 39 -5.129 14.425 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.705 16.165 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.216 16.623 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.056 14.854 -3.345 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.350 13.720 -3.012 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.815 14.195 -5.864 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.645 14.117 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.772 15.695 -4.907 1.00 0.00 H new ATOM 582 N VAL A 40 -2.595 15.600 0.181 1.00 0.00 N ATOM 583 CA VAL A 40 -1.472 15.222 1.022 1.00 0.00 C ATOM 584 C VAL A 40 -1.993 14.509 2.271 1.00 0.00 C ATOM 585 O VAL A 40 -1.209 14.014 3.080 1.00 0.00 O ATOM 586 CB VAL A 40 -0.624 16.454 1.347 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.305 16.183 2.532 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.169 16.912 0.122 1.00 0.00 C ATOM 0 H VAL A 40 -2.802 16.599 0.168 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.820 14.524 0.497 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.300 17.261 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.896 17.074 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.289 15.927 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.971 15.355 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.763 17.789 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.830 16.109 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.520 17.165 -0.684 1.00 0.00 H new ATOM 598 N ALA A 41 -3.312 14.479 2.390 1.00 0.00 N ATOM 599 CA ALA A 41 -3.947 13.834 3.526 1.00 0.00 C ATOM 600 C ALA A 41 -4.621 12.541 3.063 1.00 0.00 C ATOM 601 O ALA A 41 -4.453 11.492 3.684 1.00 0.00 O ATOM 602 CB ALA A 41 -4.935 14.804 4.178 1.00 0.00 C ATOM 0 H ALA A 41 -3.959 14.891 1.718 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.205 13.568 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.411 14.320 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.403 15.693 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.696 15.091 3.452 1.00 0.00 H new ATOM 608 N ASN A 42 -5.368 12.657 1.975 1.00 0.00 N ATOM 609 CA ASN A 42 -6.067 11.510 1.422 1.00 0.00 C ATOM 610 C ASN A 42 -5.065 10.384 1.160 1.00 0.00 C ATOM 611 O ASN A 42 -5.365 9.214 1.391 1.00 0.00 O ATOM 612 CB ASN A 42 -6.739 11.863 0.093 1.00 0.00 C ATOM 613 CG ASN A 42 -8.045 11.085 -0.085 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.861 10.977 0.816 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.196 10.551 -1.293 1.00 0.00 N ATOM 0 H ASN A 42 -5.504 13.528 1.462 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.826 11.200 2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.941 12.933 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.062 11.638 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.034 10.012 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.474 10.680 -2.002 1.00 0.00 H new ATOM 622 N VAL A 43 -3.894 10.778 0.681 1.00 0.00 N ATOM 623 CA VAL A 43 -2.845 9.816 0.385 1.00 0.00 C ATOM 624 C VAL A 43 -2.373 9.166 1.688 1.00 0.00 C ATOM 625 O VAL A 43 -2.161 7.956 1.740 1.00 0.00 O ATOM 626 CB VAL A 43 -1.713 10.498 -0.387 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.455 9.627 -0.398 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.153 10.845 -1.811 1.00 0.00 C ATOM 0 H VAL A 43 -3.648 11.749 0.491 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.225 9.021 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.471 11.429 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.334 10.135 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.124 9.453 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.678 8.672 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.331 11.329 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.435 9.933 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.007 11.521 -1.773 1.00 0.00 H new ATOM 638 N GLU A 44 -2.222 9.999 2.707 1.00 0.00 N ATOM 639 CA GLU A 44 -1.780 9.520 4.005 1.00 0.00 C ATOM 640 C GLU A 44 -2.644 8.343 4.460 1.00 0.00 C ATOM 641 O GLU A 44 -2.182 7.480 5.205 1.00 0.00 O ATOM 642 CB GLU A 44 -1.799 10.646 5.041 1.00 0.00 C ATOM 643 CG GLU A 44 -0.602 11.581 4.857 1.00 0.00 C ATOM 644 CD GLU A 44 0.230 11.665 6.138 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.356 12.056 7.171 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.434 11.336 6.056 1.00 0.00 O ATOM 0 H GLU A 44 -2.398 11.003 2.660 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.751 9.174 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.725 11.213 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.783 10.222 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.021 11.223 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.952 12.576 4.581 1.00 0.00 H new ATOM 653 N LYS A 45 -3.884 8.345 3.992 1.00 0.00 N ATOM 654 CA LYS A 45 -4.817 7.287 4.341 1.00 0.00 C ATOM 655 C LYS A 45 -4.633 6.112 3.379 1.00 0.00 C ATOM 656 O LYS A 45 -4.193 5.037 3.784 1.00 0.00 O ATOM 657 CB LYS A 45 -6.248 7.828 4.385 1.00 0.00 C ATOM 658 CG LYS A 45 -6.842 7.694 5.788 1.00 0.00 C ATOM 659 CD LYS A 45 -6.186 8.680 6.757 1.00 0.00 C ATOM 660 CE LYS A 45 -6.892 8.666 8.115 1.00 0.00 C ATOM 661 NZ LYS A 45 -8.206 9.340 8.022 1.00 0.00 N ATOM 0 H LYS A 45 -4.264 9.062 3.374 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.611 6.913 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.254 8.875 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.868 7.286 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.916 7.875 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.703 6.675 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.135 8.423 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.219 9.685 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.027 7.638 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.272 9.166 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.581 9.504 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.095 10.251 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.867 8.740 7.489 1.00 0.00 H new ATOM 675 N GLN A 46 -4.979 6.356 2.124 1.00 0.00 N ATOM 676 CA GLN A 46 -4.857 5.332 1.101 1.00 0.00 C ATOM 677 C GLN A 46 -3.578 4.520 1.313 1.00 0.00 C ATOM 678 O GLN A 46 -3.571 3.305 1.122 1.00 0.00 O ATOM 679 CB GLN A 46 -4.890 5.948 -0.299 1.00 0.00 C ATOM 680 CG GLN A 46 -6.329 6.190 -0.758 1.00 0.00 C ATOM 681 CD GLN A 46 -7.161 6.825 0.358 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.246 8.035 0.492 1.00 0.00 O ATOM 683 NE2 GLN A 46 -7.768 5.945 1.149 1.00 0.00 N ATOM 0 H GLN A 46 -5.344 7.249 1.792 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.710 4.659 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.341 6.890 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.386 5.286 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.331 6.840 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.781 5.246 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.655 4.945 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.347 6.270 1.924 1.00 0.00 H new ATOM 692 N LEU A 47 -2.526 5.224 1.704 1.00 0.00 N ATOM 693 CA LEU A 47 -1.244 4.584 1.944 1.00 0.00 C ATOM 694 C LEU A 47 -1.353 3.676 3.171 1.00 0.00 C ATOM 695 O LEU A 47 -1.086 2.478 3.087 1.00 0.00 O ATOM 696 CB LEU A 47 -0.134 5.631 2.052 1.00 0.00 C ATOM 697 CG LEU A 47 0.324 6.260 0.734 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.158 7.518 0.988 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.071 5.242 -0.129 1.00 0.00 C ATOM 0 H LEU A 47 -2.535 6.232 1.861 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.972 3.950 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.476 6.428 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.729 5.169 2.531 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.561 6.567 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.471 7.946 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.559 8.247 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.038 7.258 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.385 5.715 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.948 4.882 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.413 4.402 -0.353 1.00 0.00 H new ATOM 711 N GLU A 48 -1.748 4.281 4.282 1.00 0.00 N ATOM 712 CA GLU A 48 -1.896 3.542 5.524 1.00 0.00 C ATOM 713 C GLU A 48 -2.914 2.413 5.352 1.00 0.00 C ATOM 714 O GLU A 48 -2.908 1.446 6.112 1.00 0.00 O ATOM 715 CB GLU A 48 -2.298 4.472 6.671 1.00 0.00 C ATOM 716 CG GLU A 48 -3.814 4.469 6.873 1.00 0.00 C ATOM 717 CD GLU A 48 -4.221 5.435 7.988 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.576 5.371 9.057 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.166 6.216 7.746 1.00 0.00 O ATOM 0 H GLU A 48 -1.970 5.274 4.348 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.932 3.101 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.804 4.156 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.958 5.486 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.309 4.752 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.150 3.462 7.119 1.00 0.00 H new ATOM 726 N GLU A 49 -3.764 2.573 4.348 1.00 0.00 N ATOM 727 CA GLU A 49 -4.785 1.579 4.066 1.00 0.00 C ATOM 728 C GLU A 49 -4.179 0.393 3.314 1.00 0.00 C ATOM 729 O GLU A 49 -4.265 -0.746 3.771 1.00 0.00 O ATOM 730 CB GLU A 49 -5.945 2.193 3.279 1.00 0.00 C ATOM 731 CG GLU A 49 -6.711 3.206 4.131 1.00 0.00 C ATOM 732 CD GLU A 49 -6.976 2.653 5.533 1.00 0.00 C ATOM 733 OE1 GLU A 49 -7.405 1.482 5.610 1.00 0.00 O ATOM 734 OE2 GLU A 49 -6.743 3.415 6.497 1.00 0.00 O ATOM 0 H GLU A 49 -3.766 3.377 3.720 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.183 1.217 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.563 2.682 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.622 1.405 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.140 4.132 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.657 3.452 3.648 1.00 0.00 H new ATOM 741 N ALA A 50 -3.578 0.701 2.174 1.00 0.00 N ATOM 742 CA ALA A 50 -2.957 -0.326 1.354 1.00 0.00 C ATOM 743 C ALA A 50 -1.874 -1.036 2.168 1.00 0.00 C ATOM 744 O ALA A 50 -1.431 -2.124 1.802 1.00 0.00 O ATOM 745 CB ALA A 50 -2.405 0.307 0.075 1.00 0.00 C ATOM 0 H ALA A 50 -3.508 1.647 1.799 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.690 -1.076 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.939 -0.463 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.219 0.773 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.663 1.063 0.334 1.00 0.00 H new ATOM 751 N ARG A 51 -1.479 -0.393 3.257 1.00 0.00 N ATOM 752 CA ARG A 51 -0.456 -0.950 4.125 1.00 0.00 C ATOM 753 C ARG A 51 -0.948 -2.254 4.757 1.00 0.00 C ATOM 754 O ARG A 51 -0.345 -3.308 4.561 1.00 0.00 O ATOM 755 CB ARG A 51 -0.079 0.035 5.234 1.00 0.00 C ATOM 756 CG ARG A 51 0.877 1.109 4.712 1.00 0.00 C ATOM 757 CD ARG A 51 2.122 1.211 5.596 1.00 0.00 C ATOM 758 NE ARG A 51 1.744 1.676 6.949 1.00 0.00 N ATOM 759 CZ ARG A 51 1.389 2.935 7.240 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.361 3.863 6.273 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.062 3.266 8.496 1.00 0.00 N ATOM 0 H ARG A 51 -1.849 0.509 3.558 1.00 0.00 H new ATOM 0 HA ARG A 51 0.425 -1.148 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.979 0.506 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.388 -0.502 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.171 0.873 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.367 2.072 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.613 0.240 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.838 1.902 5.152 1.00 0.00 H new ATOM 0 HE ARG A 51 1.754 0.995 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.610 3.611 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.091 4.822 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.083 2.560 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.792 4.224 8.717 1.00 0.00 H new ATOM 775 N GLU A 52 -2.038 -2.139 5.501 1.00 0.00 N ATOM 776 CA GLU A 52 -2.618 -3.296 6.162 1.00 0.00 C ATOM 777 C GLU A 52 -2.812 -4.437 5.161 1.00 0.00 C ATOM 778 O GLU A 52 -2.753 -5.609 5.531 1.00 0.00 O ATOM 779 CB GLU A 52 -3.938 -2.934 6.844 1.00 0.00 C ATOM 780 CG GLU A 52 -4.923 -2.324 5.843 1.00 0.00 C ATOM 781 CD GLU A 52 -6.365 -2.689 6.201 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.591 -3.882 6.501 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.209 -1.768 6.167 1.00 0.00 O ATOM 0 H GLU A 52 -2.535 -1.263 5.661 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.928 -3.631 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.376 -3.825 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.752 -2.228 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.811 -1.240 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.693 -2.679 4.838 1.00 0.00 H new ATOM 790 N LEU A 53 -3.040 -4.055 3.913 1.00 0.00 N ATOM 791 CA LEU A 53 -3.244 -5.031 2.857 1.00 0.00 C ATOM 792 C LEU A 53 -2.019 -5.944 2.769 1.00 0.00 C ATOM 793 O LEU A 53 -2.127 -7.154 2.965 1.00 0.00 O ATOM 794 CB LEU A 53 -3.585 -4.332 1.539 1.00 0.00 C ATOM 795 CG LEU A 53 -5.055 -4.376 1.118 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.443 -3.113 0.346 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.360 -5.649 0.324 1.00 0.00 C ATOM 0 H LEU A 53 -3.088 -3.082 3.610 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.100 -5.666 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.280 -3.288 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.987 -4.782 0.747 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.667 -4.403 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.493 -3.170 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.287 -2.238 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.826 -3.030 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.411 -5.656 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.739 -5.677 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.147 -6.522 0.941 1.00 0.00 H new ATOM 809 N LEU A 54 -0.883 -5.330 2.474 1.00 0.00 N ATOM 810 CA LEU A 54 0.361 -6.072 2.358 1.00 0.00 C ATOM 811 C LEU A 54 0.484 -7.040 3.537 1.00 0.00 C ATOM 812 O LEU A 54 1.001 -8.146 3.385 1.00 0.00 O ATOM 813 CB LEU A 54 1.546 -5.114 2.223 1.00 0.00 C ATOM 814 CG LEU A 54 1.533 -4.200 0.997 1.00 0.00 C ATOM 815 CD1 LEU A 54 2.948 -3.743 0.638 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.832 -4.876 -0.184 1.00 0.00 C ATOM 0 H LEU A 54 -0.798 -4.327 2.312 1.00 0.00 H new ATOM 0 HA LEU A 54 0.362 -6.674 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.587 -4.490 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.463 -5.703 2.203 1.00 0.00 H new ATOM 0 HG LEU A 54 0.959 -3.307 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.910 -3.094 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.377 -3.195 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.567 -4.613 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.837 -4.205 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.357 -5.796 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.197 -5.109 0.089 1.00 0.00 H new ATOM 828 N GLU A 55 -0.001 -6.589 4.684 1.00 0.00 N ATOM 829 CA GLU A 55 0.049 -7.402 5.888 1.00 0.00 C ATOM 830 C GLU A 55 -0.778 -8.676 5.703 1.00 0.00 C ATOM 831 O GLU A 55 -0.235 -9.780 5.720 1.00 0.00 O ATOM 832 CB GLU A 55 -0.432 -6.609 7.105 1.00 0.00 C ATOM 833 CG GLU A 55 0.574 -6.703 8.253 1.00 0.00 C ATOM 834 CD GLU A 55 -0.047 -7.390 9.472 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.979 -8.194 9.256 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.425 -7.095 10.591 1.00 0.00 O ATOM 0 H GLU A 55 -0.430 -5.672 4.806 1.00 0.00 H new ATOM 0 HA GLU A 55 1.086 -7.687 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.577 -5.565 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.399 -6.990 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.453 -7.259 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.912 -5.704 8.527 1.00 0.00 H new ATOM 843 N GLN A 56 -2.076 -8.481 5.529 1.00 0.00 N ATOM 844 CA GLN A 56 -2.983 -9.601 5.340 1.00 0.00 C ATOM 845 C GLN A 56 -2.522 -10.464 4.164 1.00 0.00 C ATOM 846 O GLN A 56 -2.513 -11.691 4.256 1.00 0.00 O ATOM 847 CB GLN A 56 -4.419 -9.115 5.134 1.00 0.00 C ATOM 848 CG GLN A 56 -4.986 -8.518 6.424 1.00 0.00 C ATOM 849 CD GLN A 56 -5.584 -9.607 7.316 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.356 -10.446 6.883 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.186 -9.547 8.584 1.00 0.00 N ATOM 0 H GLN A 56 -2.522 -7.564 5.515 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.968 -10.212 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.443 -8.367 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.045 -9.946 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.197 -7.994 6.963 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.751 -7.781 6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.537 -8.818 8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.530 -10.230 9.259 1.00 0.00 H new ATOM 860 N MET A 57 -2.151 -9.790 3.086 1.00 0.00 N ATOM 861 CA MET A 57 -1.691 -10.480 1.893 1.00 0.00 C ATOM 862 C MET A 57 -0.494 -11.380 2.208 1.00 0.00 C ATOM 863 O MET A 57 -0.429 -12.517 1.742 1.00 0.00 O ATOM 864 CB MET A 57 -1.292 -9.453 0.831 1.00 0.00 C ATOM 865 CG MET A 57 -2.516 -8.696 0.313 1.00 0.00 C ATOM 866 SD MET A 57 -2.234 -8.152 -1.363 1.00 0.00 S ATOM 867 CE MET A 57 -1.594 -6.515 -1.055 1.00 0.00 C ATOM 0 H MET A 57 -2.160 -8.773 3.014 1.00 0.00 H new ATOM 0 HA MET A 57 -2.503 -11.104 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.576 -8.748 1.253 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.794 -9.956 0.002 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.395 -9.339 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.721 -7.838 0.953 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.376 -5.778 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.263 -6.443 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.751 -6.323 -1.719 1.00 0.00 H new ATOM 877 N ASP A 58 0.422 -10.838 2.997 1.00 0.00 N ATOM 878 CA ASP A 58 1.612 -11.579 3.379 1.00 0.00 C ATOM 879 C ASP A 58 1.237 -12.638 4.417 1.00 0.00 C ATOM 880 O ASP A 58 1.649 -13.792 4.308 1.00 0.00 O ATOM 881 CB ASP A 58 2.658 -10.654 4.005 1.00 0.00 C ATOM 882 CG ASP A 58 4.076 -11.225 4.059 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.806 -11.029 3.063 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.399 -11.846 5.095 1.00 0.00 O ATOM 0 H ASP A 58 0.364 -9.895 3.382 1.00 0.00 H new ATOM 0 HA ASP A 58 2.026 -12.038 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.679 -9.721 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.343 -10.407 5.019 1.00 0.00 H new ATOM 889 N LEU A 59 0.459 -12.209 5.400 1.00 0.00 N ATOM 890 CA LEU A 59 0.024 -13.106 6.456 1.00 0.00 C ATOM 891 C LEU A 59 -0.796 -14.245 5.846 1.00 0.00 C ATOM 892 O LEU A 59 -1.038 -15.260 6.499 1.00 0.00 O ATOM 893 CB LEU A 59 -0.718 -12.331 7.547 1.00 0.00 C ATOM 894 CG LEU A 59 0.152 -11.731 8.653 1.00 0.00 C ATOM 895 CD1 LEU A 59 1.026 -10.598 8.111 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.702 -11.279 9.839 1.00 0.00 C ATOM 0 H LEU A 59 0.119 -11.251 5.487 1.00 0.00 H new ATOM 0 HA LEU A 59 0.884 -13.559 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.278 -11.524 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.447 -12.998 8.007 1.00 0.00 H new ATOM 0 HG LEU A 59 0.823 -12.508 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.634 -10.190 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.677 -10.984 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.391 -9.812 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.058 -10.856 10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.415 -10.524 9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.242 -12.134 10.245 1.00 0.00 H new ATOM 908 N GLU A 60 -1.202 -14.039 4.602 1.00 0.00 N ATOM 909 CA GLU A 60 -1.989 -15.036 3.897 1.00 0.00 C ATOM 910 C GLU A 60 -1.094 -15.865 2.974 1.00 0.00 C ATOM 911 O GLU A 60 -1.149 -17.093 2.989 1.00 0.00 O ATOM 912 CB GLU A 60 -3.128 -14.380 3.112 1.00 0.00 C ATOM 913 CG GLU A 60 -4.215 -13.859 4.054 1.00 0.00 C ATOM 914 CD GLU A 60 -5.452 -14.759 4.014 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.701 -15.333 2.931 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.120 -14.852 5.066 1.00 0.00 O ATOM 0 H GLU A 60 -1.001 -13.196 4.064 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.436 -15.704 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.736 -13.558 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.559 -15.102 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.828 -13.812 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.491 -12.843 3.771 1.00 0.00 H new ATOM 923 N VAL A 61 -0.288 -15.159 2.193 1.00 0.00 N ATOM 924 CA VAL A 61 0.618 -15.815 1.266 1.00 0.00 C ATOM 925 C VAL A 61 1.403 -16.899 2.007 1.00 0.00 C ATOM 926 O VAL A 61 1.905 -17.838 1.391 1.00 0.00 O ATOM 927 CB VAL A 61 1.520 -14.777 0.595 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.964 -15.277 0.513 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.990 -14.404 -0.791 1.00 0.00 C ATOM 0 H VAL A 61 -0.244 -14.140 2.184 1.00 0.00 H new ATOM 0 HA VAL A 61 0.060 -16.306 0.469 1.00 0.00 H new ATOM 0 HB VAL A 61 1.511 -13.877 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.584 -14.521 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.340 -15.469 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.998 -16.198 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.649 -13.665 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.955 -15.294 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.013 -13.987 -0.697 1.00 0.00 H new ATOM 939 N ARG A 62 1.484 -16.733 3.319 1.00 0.00 N ATOM 940 CA ARG A 62 2.199 -17.686 4.151 1.00 0.00 C ATOM 941 C ARG A 62 1.504 -19.049 4.115 1.00 0.00 C ATOM 942 O ARG A 62 2.137 -20.065 3.831 1.00 0.00 O ATOM 943 CB ARG A 62 2.280 -17.201 5.600 1.00 0.00 C ATOM 944 CG ARG A 62 3.716 -16.825 5.973 1.00 0.00 C ATOM 945 CD ARG A 62 3.750 -15.527 6.781 1.00 0.00 C ATOM 946 NE ARG A 62 4.551 -15.717 8.011 1.00 0.00 N ATOM 947 CZ ARG A 62 4.886 -14.727 8.850 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.491 -13.472 8.598 1.00 0.00 N ATOM 949 NH2 ARG A 62 5.616 -14.993 9.942 1.00 0.00 N ATOM 0 H ARG A 62 1.066 -15.953 3.826 1.00 0.00 H new ATOM 0 HA ARG A 62 3.210 -17.779 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.628 -16.338 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.919 -17.982 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.168 -17.630 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.312 -16.710 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.178 -14.725 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.736 -15.224 7.041 1.00 0.00 H new ATOM 0 HE ARG A 62 4.868 -16.660 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.935 -13.269 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.746 -12.719 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.916 -15.949 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.871 -14.240 10.581 1.00 0.00 H new ATOM 963 N GLU A 63 0.212 -19.026 4.407 1.00 0.00 N ATOM 964 CA GLU A 63 -0.576 -20.247 4.412 1.00 0.00 C ATOM 965 C GLU A 63 -0.540 -20.907 3.032 1.00 0.00 C ATOM 966 O GLU A 63 -0.475 -22.131 2.926 1.00 0.00 O ATOM 967 CB GLU A 63 -2.015 -19.970 4.850 1.00 0.00 C ATOM 968 CG GLU A 63 -2.893 -19.607 3.651 1.00 0.00 C ATOM 969 CD GLU A 63 -4.206 -18.967 4.106 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.121 -17.938 4.810 1.00 0.00 O ATOM 971 OE2 GLU A 63 -5.265 -19.522 3.740 1.00 0.00 O ATOM 0 H GLU A 63 -0.309 -18.181 4.642 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.138 -20.936 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.422 -20.849 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.028 -19.156 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.356 -18.919 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.104 -20.502 3.066 1.00 0.00 H new ATOM 978 N ILE A 64 -0.585 -20.066 2.008 1.00 0.00 N ATOM 979 CA ILE A 64 -0.559 -20.553 0.639 1.00 0.00 C ATOM 980 C ILE A 64 0.458 -21.690 0.526 1.00 0.00 C ATOM 981 O ILE A 64 1.516 -21.646 1.150 1.00 0.00 O ATOM 982 CB ILE A 64 -0.304 -19.400 -0.334 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.446 -18.383 -0.292 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.054 -19.923 -1.750 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.456 -17.516 -1.552 1.00 0.00 C ATOM 0 H ILE A 64 -0.639 -19.052 2.099 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.529 -20.965 0.362 1.00 0.00 H new ATOM 0 HB ILE A 64 0.601 -18.881 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.399 -18.904 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.341 -17.749 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.124 -19.083 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.818 -20.577 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.926 -20.481 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.278 -16.802 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.512 -16.977 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.586 -18.150 -2.429 1.00 0.00 H new ATOM 997 N PRO A 65 0.092 -22.708 -0.298 1.00 0.00 N ATOM 998 CA PRO A 65 0.960 -23.856 -0.502 1.00 0.00 C ATOM 999 C PRO A 65 2.137 -23.498 -1.411 1.00 0.00 C ATOM 1000 O PRO A 65 2.093 -22.498 -2.126 1.00 0.00 O ATOM 1001 CB PRO A 65 0.061 -24.930 -1.090 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.162 -24.204 -1.625 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.154 -22.795 -1.054 1.00 0.00 C ATOM 0 HA PRO A 65 1.421 -24.204 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.571 -25.474 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.220 -25.662 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.142 -24.175 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.073 -24.728 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.190 -22.047 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.019 -22.623 -0.413 1.00 0.00 H new ATOM 1011 N PRO A 66 3.190 -24.356 -1.353 1.00 0.00 N ATOM 1012 CA PRO A 66 4.377 -24.141 -2.162 1.00 0.00 C ATOM 1013 C PRO A 66 4.117 -24.505 -3.625 1.00 0.00 C ATOM 1014 O PRO A 66 5.010 -24.397 -4.464 1.00 0.00 O ATOM 1015 CB PRO A 66 5.454 -25.000 -1.519 1.00 0.00 C ATOM 1016 CG PRO A 66 4.718 -26.017 -0.662 1.00 0.00 C ATOM 1017 CD PRO A 66 3.278 -25.551 -0.518 1.00 0.00 C ATOM 0 HA PRO A 66 4.684 -23.095 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.063 -25.494 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.128 -24.394 -0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.755 -27.004 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.190 -26.105 0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.578 -26.318 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.036 -25.327 0.521 1.00 0.00 H new ATOM 1025 N GLN A 67 2.889 -24.928 -3.887 1.00 0.00 N ATOM 1026 CA GLN A 67 2.499 -25.308 -5.234 1.00 0.00 C ATOM 1027 C GLN A 67 1.834 -24.129 -5.947 1.00 0.00 C ATOM 1028 O GLN A 67 1.929 -24.003 -7.167 1.00 0.00 O ATOM 1029 CB GLN A 67 1.576 -26.528 -5.214 1.00 0.00 C ATOM 1030 CG GLN A 67 2.341 -27.800 -5.585 1.00 0.00 C ATOM 1031 CD GLN A 67 1.402 -29.006 -5.650 1.00 0.00 C ATOM 1032 OE1 GLN A 67 0.614 -29.163 -6.568 1.00 0.00 O ATOM 1033 NE2 GLN A 67 1.528 -29.845 -4.626 1.00 0.00 N ATOM 0 H GLN A 67 2.151 -25.016 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 67 3.397 -25.582 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.136 -26.640 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.753 -26.377 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.832 -27.665 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.125 -27.984 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.208 -29.653 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.944 -30.680 -4.576 1.00 0.00 H new ATOM 1042 N SER A 68 1.175 -23.295 -5.156 1.00 0.00 N ATOM 1043 CA SER A 68 0.494 -22.131 -5.696 1.00 0.00 C ATOM 1044 C SER A 68 1.379 -20.892 -5.548 1.00 0.00 C ATOM 1045 O SER A 68 1.395 -20.028 -6.424 1.00 0.00 O ATOM 1046 CB SER A 68 -0.851 -21.908 -5.002 1.00 0.00 C ATOM 1047 OG SER A 68 -1.429 -20.653 -5.349 1.00 0.00 O ATOM 0 H SER A 68 1.098 -23.403 -4.145 1.00 0.00 H new ATOM 0 HA SER A 68 0.301 -22.308 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.537 -22.710 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.714 -21.958 -3.922 1.00 0.00 H new ATOM 0 HG SER A 68 -2.287 -20.549 -4.887 1.00 0.00 H new ATOM 1053 N ARG A 69 2.095 -20.844 -4.434 1.00 0.00 N ATOM 1054 CA ARG A 69 2.980 -19.725 -4.161 1.00 0.00 C ATOM 1055 C ARG A 69 4.003 -19.570 -5.288 1.00 0.00 C ATOM 1056 O ARG A 69 5.110 -20.100 -5.205 1.00 0.00 O ATOM 1057 CB ARG A 69 3.719 -19.919 -2.835 1.00 0.00 C ATOM 1058 CG ARG A 69 3.205 -18.943 -1.774 1.00 0.00 C ATOM 1059 CD ARG A 69 4.226 -18.771 -0.647 1.00 0.00 C ATOM 1060 NE ARG A 69 5.085 -17.596 -0.917 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.212 -17.321 -0.248 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.625 -18.134 0.734 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.928 -16.232 -0.561 1.00 0.00 N ATOM 0 H ARG A 69 2.080 -21.562 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 69 2.367 -18.826 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.586 -20.943 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.788 -19.769 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.999 -17.976 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.263 -19.309 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.711 -18.644 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.839 -19.668 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 69 4.801 -16.956 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.081 -18.963 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.484 -17.924 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.614 -15.613 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.786 -16.022 -0.052 1.00 0.00 H new ATOM 1077 N GLY A 70 3.596 -18.840 -6.316 1.00 0.00 N ATOM 1078 CA GLY A 70 4.463 -18.607 -7.459 1.00 0.00 C ATOM 1079 C GLY A 70 4.535 -17.117 -7.799 1.00 0.00 C ATOM 1080 O GLY A 70 5.573 -16.484 -7.613 1.00 0.00 O ATOM 0 H GLY A 70 2.677 -18.402 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.463 -18.983 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.092 -19.163 -8.320 1.00 0.00 H new ATOM 1084 N MET A 71 3.418 -16.601 -8.291 1.00 0.00 N ATOM 1085 CA MET A 71 3.341 -15.197 -8.658 1.00 0.00 C ATOM 1086 C MET A 71 3.306 -14.306 -7.415 1.00 0.00 C ATOM 1087 O MET A 71 4.099 -13.374 -7.292 1.00 0.00 O ATOM 1088 CB MET A 71 2.083 -14.956 -9.495 1.00 0.00 C ATOM 1089 CG MET A 71 2.197 -15.632 -10.863 1.00 0.00 C ATOM 1090 SD MET A 71 3.041 -14.554 -12.008 1.00 0.00 S ATOM 1091 CE MET A 71 3.359 -15.703 -13.337 1.00 0.00 C ATOM 0 H MET A 71 2.559 -17.130 -8.444 1.00 0.00 H new ATOM 0 HA MET A 71 4.228 -14.944 -9.238 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.211 -15.341 -8.967 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.929 -13.885 -9.626 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.740 -16.573 -10.769 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.204 -15.873 -11.242 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.885 -15.191 -14.143 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.972 -16.525 -12.968 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.414 -16.095 -13.713 1.00 0.00 H new ATOM 1101 N TYR A 72 2.378 -14.624 -6.524 1.00 0.00 N ATOM 1102 CA TYR A 72 2.229 -13.864 -5.295 1.00 0.00 C ATOM 1103 C TYR A 72 3.590 -13.407 -4.764 1.00 0.00 C ATOM 1104 O TYR A 72 3.770 -12.236 -4.434 1.00 0.00 O ATOM 1105 CB TYR A 72 1.595 -14.820 -4.282 1.00 0.00 C ATOM 1106 CG TYR A 72 0.421 -14.217 -3.508 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.474 -12.903 -3.088 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.690 -14.987 -3.229 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.631 -12.336 -2.359 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.794 -14.419 -2.500 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.710 -13.122 -2.101 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.754 -12.586 -1.413 1.00 0.00 O ATOM 0 H TYR A 72 1.722 -15.398 -6.629 1.00 0.00 H new ATOM 0 HA TYR A 72 1.624 -12.974 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.252 -15.712 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.358 -15.140 -3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.344 -12.301 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.731 -16.015 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.603 -11.309 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.669 -15.010 -2.275 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.243 -11.965 -1.992 1.00 0.00 H new ATOM 1122 N SER A 73 4.512 -14.356 -4.698 1.00 0.00 N ATOM 1123 CA SER A 73 5.851 -14.066 -4.213 1.00 0.00 C ATOM 1124 C SER A 73 6.456 -12.908 -5.010 1.00 0.00 C ATOM 1125 O SER A 73 6.761 -11.857 -4.449 1.00 0.00 O ATOM 1126 CB SER A 73 6.750 -15.300 -4.305 1.00 0.00 C ATOM 1127 OG SER A 73 6.282 -16.364 -3.479 1.00 0.00 O ATOM 0 H SER A 73 4.358 -15.326 -4.972 1.00 0.00 H new ATOM 0 HA SER A 73 5.780 -13.780 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.797 -15.638 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.765 -15.032 -4.011 1.00 0.00 H new ATOM 0 HG SER A 73 6.882 -17.134 -3.567 1.00 0.00 H new ATOM 1133 N ASN A 74 6.613 -13.141 -6.305 1.00 0.00 N ATOM 1134 CA ASN A 74 7.177 -12.131 -7.184 1.00 0.00 C ATOM 1135 C ASN A 74 6.439 -10.807 -6.972 1.00 0.00 C ATOM 1136 O ASN A 74 7.067 -9.760 -6.822 1.00 0.00 O ATOM 1137 CB ASN A 74 7.020 -12.530 -8.653 1.00 0.00 C ATOM 1138 CG ASN A 74 8.380 -12.604 -9.349 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.222 -11.732 -9.217 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.546 -13.692 -10.095 1.00 0.00 N ATOM 0 H ASN A 74 6.359 -14.015 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 74 8.237 -12.032 -6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.520 -13.496 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.385 -11.807 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.420 -13.835 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.799 -14.383 -10.162 1.00 0.00 H new ATOM 1147 N ARG A 75 5.118 -10.898 -6.966 1.00 0.00 N ATOM 1148 CA ARG A 75 4.288 -9.720 -6.774 1.00 0.00 C ATOM 1149 C ARG A 75 4.605 -9.060 -5.431 1.00 0.00 C ATOM 1150 O ARG A 75 4.835 -7.853 -5.367 1.00 0.00 O ATOM 1151 CB ARG A 75 2.802 -10.080 -6.819 1.00 0.00 C ATOM 1152 CG ARG A 75 2.349 -10.362 -8.254 1.00 0.00 C ATOM 1153 CD ARG A 75 1.009 -9.685 -8.548 1.00 0.00 C ATOM 1154 NE ARG A 75 -0.105 -10.559 -8.116 1.00 0.00 N ATOM 1155 CZ ARG A 75 -0.594 -11.570 -8.848 1.00 0.00 C ATOM 1156 NH1 ARG A 75 -0.070 -11.841 -10.051 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -1.606 -12.311 -8.376 1.00 0.00 N ATOM 0 H ARG A 75 4.601 -11.768 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 75 4.507 -9.025 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.617 -10.956 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.213 -9.263 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.103 -10.003 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.258 -11.438 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.954 -8.728 -8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.925 -9.474 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.527 -10.381 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.701 -11.278 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.442 -12.610 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.004 -12.106 -7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.978 -13.080 -8.933 1.00 0.00 H new ATOM 1171 N MET A 76 4.607 -9.880 -4.390 1.00 0.00 N ATOM 1172 CA MET A 76 4.892 -9.391 -3.052 1.00 0.00 C ATOM 1173 C MET A 76 6.182 -8.569 -3.032 1.00 0.00 C ATOM 1174 O MET A 76 6.210 -7.464 -2.492 1.00 0.00 O ATOM 1175 CB MET A 76 5.027 -10.576 -2.093 1.00 0.00 C ATOM 1176 CG MET A 76 3.682 -10.915 -1.448 1.00 0.00 C ATOM 1177 SD MET A 76 3.563 -10.145 0.157 1.00 0.00 S ATOM 1178 CE MET A 76 1.949 -9.394 0.022 1.00 0.00 C ATOM 0 H MET A 76 4.416 -10.880 -4.447 1.00 0.00 H new ATOM 0 HA MET A 76 4.069 -8.749 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.405 -11.444 -2.633 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.757 -10.340 -1.318 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.867 -10.573 -2.086 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.578 -11.996 -1.351 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.495 -9.328 1.011 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.047 -8.394 -0.400 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.318 -10.001 -0.627 1.00 0.00 H new ATOM 1188 N ARG A 77 7.219 -9.139 -3.628 1.00 0.00 N ATOM 1189 CA ARG A 77 8.509 -8.472 -3.686 1.00 0.00 C ATOM 1190 C ARG A 77 8.378 -7.123 -4.395 1.00 0.00 C ATOM 1191 O ARG A 77 9.188 -6.223 -4.180 1.00 0.00 O ATOM 1192 CB ARG A 77 9.540 -9.330 -4.423 1.00 0.00 C ATOM 1193 CG ARG A 77 10.002 -10.501 -3.553 1.00 0.00 C ATOM 1194 CD ARG A 77 11.506 -10.424 -3.283 1.00 0.00 C ATOM 1195 NE ARG A 77 11.979 -11.694 -2.690 1.00 0.00 N ATOM 1196 CZ ARG A 77 12.184 -12.819 -3.389 1.00 0.00 C ATOM 1197 NH1 ARG A 77 11.957 -12.838 -4.709 1.00 0.00 N ATOM 1198 NH2 ARG A 77 12.614 -13.925 -2.767 1.00 0.00 N ATOM 0 H ARG A 77 7.192 -10.055 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 77 8.848 -8.316 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.108 -9.709 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.398 -8.717 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.459 -10.493 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.766 -11.442 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.041 -10.225 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.721 -9.596 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 77 12.160 -11.715 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.628 -11.996 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.113 -13.694 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.785 -13.911 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.770 -14.781 -3.299 1.00 0.00 H new ATOM 1212 N SER A 78 7.351 -7.025 -5.226 1.00 0.00 N ATOM 1213 CA SER A 78 7.103 -5.800 -5.968 1.00 0.00 C ATOM 1214 C SER A 78 6.253 -4.843 -5.130 1.00 0.00 C ATOM 1215 O SER A 78 6.698 -3.747 -4.792 1.00 0.00 O ATOM 1216 CB SER A 78 6.412 -6.094 -7.301 1.00 0.00 C ATOM 1217 OG SER A 78 7.244 -5.780 -8.415 1.00 0.00 O ATOM 0 H SER A 78 6.681 -7.774 -5.402 1.00 0.00 H new ATOM 0 HA SER A 78 8.063 -5.330 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.135 -7.147 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.488 -5.519 -7.365 1.00 0.00 H new ATOM 0 HG SER A 78 6.767 -5.983 -9.247 1.00 0.00 H new ATOM 1223 N TYR A 79 5.047 -5.292 -4.818 1.00 0.00 N ATOM 1224 CA TYR A 79 4.131 -4.489 -4.026 1.00 0.00 C ATOM 1225 C TYR A 79 4.881 -3.711 -2.942 1.00 0.00 C ATOM 1226 O TYR A 79 4.817 -2.484 -2.897 1.00 0.00 O ATOM 1227 CB TYR A 79 3.174 -5.478 -3.357 1.00 0.00 C ATOM 1228 CG TYR A 79 2.111 -6.048 -4.298 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.485 -5.225 -5.212 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.779 -7.386 -4.233 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.485 -5.763 -6.098 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.778 -7.924 -5.119 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.181 -7.085 -6.008 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.764 -7.593 -6.844 1.00 0.00 O ATOM 0 H TYR A 79 4.682 -6.202 -5.099 1.00 0.00 H new ATOM 0 HA TYR A 79 3.612 -3.765 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.753 -6.301 -2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.678 -4.981 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.745 -4.178 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.269 -8.030 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.012 -5.130 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.508 -8.969 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.763 -7.088 -7.684 1.00 0.00 H new ATOM 1244 N LYS A 80 5.574 -4.458 -2.095 1.00 0.00 N ATOM 1245 CA LYS A 80 6.335 -3.854 -1.015 1.00 0.00 C ATOM 1246 C LYS A 80 7.172 -2.699 -1.570 1.00 0.00 C ATOM 1247 O LYS A 80 7.022 -1.557 -1.140 1.00 0.00 O ATOM 1248 CB LYS A 80 7.160 -4.914 -0.282 1.00 0.00 C ATOM 1249 CG LYS A 80 6.296 -5.688 0.716 1.00 0.00 C ATOM 1250 CD LYS A 80 6.803 -7.122 0.883 1.00 0.00 C ATOM 1251 CE LYS A 80 5.657 -8.069 1.244 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.543 -8.209 2.713 1.00 0.00 N ATOM 0 H LYS A 80 5.624 -5.476 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 80 5.664 -3.432 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.595 -5.605 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.988 -4.437 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.305 -5.181 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.262 -5.702 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.277 -7.454 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.565 -7.154 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.721 -7.689 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.829 -9.046 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.302 -9.193 2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.449 -7.958 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.797 -7.575 3.065 1.00 0.00 H new ATOM 1266 N GLN A 81 8.034 -3.037 -2.517 1.00 0.00 N ATOM 1267 CA GLN A 81 8.895 -2.043 -3.135 1.00 0.00 C ATOM 1268 C GLN A 81 8.102 -0.770 -3.438 1.00 0.00 C ATOM 1269 O GLN A 81 8.385 0.289 -2.880 1.00 0.00 O ATOM 1270 CB GLN A 81 9.549 -2.596 -4.403 1.00 0.00 C ATOM 1271 CG GLN A 81 10.904 -3.233 -4.087 1.00 0.00 C ATOM 1272 CD GLN A 81 12.027 -2.197 -4.160 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.338 -1.511 -3.200 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.617 -2.121 -5.350 1.00 0.00 N ATOM 0 H GLN A 81 8.155 -3.986 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 81 9.692 -1.794 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.893 -3.336 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.681 -1.793 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.878 -3.677 -3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.103 -4.041 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.308 -2.725 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.378 -1.459 -5.500 1.00 0.00 H new ATOM 1283 N GLU A 82 7.126 -0.915 -4.322 1.00 0.00 N ATOM 1284 CA GLU A 82 6.290 0.210 -4.706 1.00 0.00 C ATOM 1285 C GLU A 82 5.720 0.896 -3.463 1.00 0.00 C ATOM 1286 O GLU A 82 5.956 2.083 -3.242 1.00 0.00 O ATOM 1287 CB GLU A 82 5.170 -0.235 -5.648 1.00 0.00 C ATOM 1288 CG GLU A 82 4.354 0.964 -6.134 1.00 0.00 C ATOM 1289 CD GLU A 82 4.228 0.960 -7.659 1.00 0.00 C ATOM 1290 OE1 GLU A 82 3.461 0.111 -8.164 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.902 1.805 -8.286 1.00 0.00 O ATOM 0 H GLU A 82 6.895 -1.795 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 82 6.908 0.929 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.596 -0.760 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.516 -0.940 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.362 0.940 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.830 1.889 -5.807 1.00 0.00 H new ATOM 1298 N MET A 83 4.982 0.120 -2.684 1.00 0.00 N ATOM 1299 CA MET A 83 4.376 0.639 -1.469 1.00 0.00 C ATOM 1300 C MET A 83 5.340 1.570 -0.730 1.00 0.00 C ATOM 1301 O MET A 83 5.097 2.772 -0.635 1.00 0.00 O ATOM 1302 CB MET A 83 3.989 -0.525 -0.554 1.00 0.00 C ATOM 1303 CG MET A 83 2.559 -0.362 -0.036 1.00 0.00 C ATOM 1304 SD MET A 83 2.553 0.659 1.429 1.00 0.00 S ATOM 1305 CE MET A 83 1.192 1.748 1.042 1.00 0.00 C ATOM 0 H MET A 83 4.790 -0.864 -2.870 1.00 0.00 H new ATOM 0 HA MET A 83 3.488 1.209 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.078 -1.465 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.681 -0.577 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.934 0.089 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.132 -1.339 0.190 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.293 2.673 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.199 1.975 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.252 1.262 1.303 1.00 0.00 H new ATOM 1315 N GLY A 84 6.414 0.979 -0.226 1.00 0.00 N ATOM 1316 CA GLY A 84 7.415 1.740 0.501 1.00 0.00 C ATOM 1317 C GLY A 84 7.886 2.946 -0.315 1.00 0.00 C ATOM 1318 O GLY A 84 8.171 4.004 0.243 1.00 0.00 O ATOM 0 H GLY A 84 6.612 -0.018 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.001 2.078 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.266 1.099 0.734 1.00 0.00 H new ATOM 1322 N LYS A 85 7.954 2.745 -1.623 1.00 0.00 N ATOM 1323 CA LYS A 85 8.386 3.802 -2.521 1.00 0.00 C ATOM 1324 C LYS A 85 7.339 4.917 -2.530 1.00 0.00 C ATOM 1325 O LYS A 85 7.683 6.098 -2.527 1.00 0.00 O ATOM 1326 CB LYS A 85 8.693 3.235 -3.908 1.00 0.00 C ATOM 1327 CG LYS A 85 8.961 4.358 -4.913 1.00 0.00 C ATOM 1328 CD LYS A 85 10.210 4.062 -5.745 1.00 0.00 C ATOM 1329 CE LYS A 85 11.481 4.431 -4.978 1.00 0.00 C ATOM 1330 NZ LYS A 85 12.621 3.607 -5.437 1.00 0.00 N ATOM 0 H LYS A 85 7.717 1.866 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 85 9.319 4.243 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.561 2.578 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.855 2.628 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.100 4.475 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.088 5.302 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.234 3.004 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.170 4.622 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.707 5.487 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.324 4.282 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.476 3.870 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.410 2.602 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.780 3.769 -6.452 1.00 0.00 H new ATOM 1344 N LEU A 86 6.080 4.503 -2.540 1.00 0.00 N ATOM 1345 CA LEU A 86 4.980 5.452 -2.550 1.00 0.00 C ATOM 1346 C LEU A 86 5.128 6.409 -1.365 1.00 0.00 C ATOM 1347 O LEU A 86 4.803 7.591 -1.473 1.00 0.00 O ATOM 1348 CB LEU A 86 3.638 4.717 -2.583 1.00 0.00 C ATOM 1349 CG LEU A 86 3.080 4.402 -3.972 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.357 3.054 -3.980 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.184 5.537 -4.473 1.00 0.00 C ATOM 0 H LEU A 86 5.798 3.523 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 86 5.007 6.058 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.746 3.781 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.904 5.318 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 86 3.916 4.322 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.970 2.855 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.054 2.265 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.531 3.080 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.800 5.288 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.350 5.673 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.762 6.459 -4.530 1.00 0.00 H new ATOM 1363 N GLU A 87 5.618 5.864 -0.262 1.00 0.00 N ATOM 1364 CA GLU A 87 5.813 6.654 0.941 1.00 0.00 C ATOM 1365 C GLU A 87 6.878 7.727 0.705 1.00 0.00 C ATOM 1366 O GLU A 87 6.946 8.712 1.439 1.00 0.00 O ATOM 1367 CB GLU A 87 6.186 5.764 2.128 1.00 0.00 C ATOM 1368 CG GLU A 87 4.934 5.231 2.828 1.00 0.00 C ATOM 1369 CD GLU A 87 5.041 5.400 4.345 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.044 4.906 4.902 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.116 6.021 4.913 1.00 0.00 O ATOM 0 H GLU A 87 5.886 4.884 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 87 4.873 7.150 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.798 4.930 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.790 6.331 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.054 5.760 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.797 4.177 2.584 1.00 0.00 H new ATOM 1378 N THR A 88 7.682 7.501 -0.323 1.00 0.00 N ATOM 1379 CA THR A 88 8.740 8.436 -0.666 1.00 0.00 C ATOM 1380 C THR A 88 8.249 9.437 -1.713 1.00 0.00 C ATOM 1381 O THR A 88 8.086 10.620 -1.418 1.00 0.00 O ATOM 1382 CB THR A 88 9.957 7.627 -1.121 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.595 7.246 0.094 1.00 0.00 O ATOM 1384 CG2 THR A 88 10.999 8.490 -1.835 1.00 0.00 C ATOM 0 H THR A 88 7.622 6.684 -0.930 1.00 0.00 H new ATOM 0 HA THR A 88 9.034 9.034 0.196 1.00 0.00 H new ATOM 0 HB THR A 88 9.633 6.826 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.394 6.716 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.842 7.868 -2.137 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.550 8.947 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.349 9.271 -1.160 1.00 0.00 H new ATOM 1392 N ASP A 89 8.027 8.926 -2.915 1.00 0.00 N ATOM 1393 CA ASP A 89 7.558 9.760 -4.008 1.00 0.00 C ATOM 1394 C ASP A 89 6.431 10.665 -3.506 1.00 0.00 C ATOM 1395 O ASP A 89 6.262 11.782 -3.993 1.00 0.00 O ATOM 1396 CB ASP A 89 7.006 8.909 -5.153 1.00 0.00 C ATOM 1397 CG ASP A 89 7.923 8.792 -6.372 1.00 0.00 C ATOM 1398 OD1 ASP A 89 9.152 8.907 -6.171 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.376 8.590 -7.478 1.00 0.00 O ATOM 0 H ASP A 89 8.163 7.944 -3.156 1.00 0.00 H new ATOM 0 HA ASP A 89 8.402 10.347 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.800 7.908 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.053 9.331 -5.473 1.00 0.00 H new ATOM 1404 N PHE A 90 5.688 10.149 -2.538 1.00 0.00 N ATOM 1405 CA PHE A 90 4.581 10.896 -1.965 1.00 0.00 C ATOM 1406 C PHE A 90 5.078 12.168 -1.275 1.00 0.00 C ATOM 1407 O PHE A 90 4.532 13.249 -1.491 1.00 0.00 O ATOM 1408 CB PHE A 90 3.921 9.989 -0.923 1.00 0.00 C ATOM 1409 CG PHE A 90 3.004 10.728 0.053 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.382 11.874 -0.334 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.809 10.239 1.306 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.530 12.560 0.572 1.00 0.00 C ATOM 1413 CE2 PHE A 90 1.957 10.924 2.212 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.336 12.071 1.826 1.00 0.00 C ATOM 0 H PHE A 90 5.831 9.223 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 90 3.883 11.189 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.343 9.221 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.699 9.476 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.536 12.262 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.303 9.329 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.036 13.470 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.802 10.534 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.689 12.593 2.515 1.00 0.00 H new ATOM 1424 N LYS A 91 6.107 11.996 -0.458 1.00 0.00 N ATOM 1425 CA LYS A 91 6.683 13.117 0.265 1.00 0.00 C ATOM 1426 C LYS A 91 7.386 14.050 -0.724 1.00 0.00 C ATOM 1427 O LYS A 91 7.322 15.270 -0.584 1.00 0.00 O ATOM 1428 CB LYS A 91 7.592 12.619 1.391 1.00 0.00 C ATOM 1429 CG LYS A 91 9.051 12.565 0.935 1.00 0.00 C ATOM 1430 CD LYS A 91 9.877 11.655 1.846 1.00 0.00 C ATOM 1431 CE LYS A 91 10.503 12.450 2.993 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.206 11.544 3.929 1.00 0.00 N ATOM 0 H LYS A 91 6.556 11.098 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 91 5.900 13.698 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.501 13.278 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.271 11.628 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.102 12.201 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.474 13.570 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.243 10.866 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.661 11.168 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.203 13.185 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.729 13.003 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.625 12.100 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.530 10.859 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.958 11.036 3.421 1.00 0.00 H new ATOM 1446 N ARG A 92 8.039 13.439 -1.702 1.00 0.00 N ATOM 1447 CA ARG A 92 8.752 14.200 -2.714 1.00 0.00 C ATOM 1448 C ARG A 92 7.768 15.002 -3.568 1.00 0.00 C ATOM 1449 O ARG A 92 7.970 16.192 -3.803 1.00 0.00 O ATOM 1450 CB ARG A 92 9.570 13.278 -3.621 1.00 0.00 C ATOM 1451 CG ARG A 92 10.873 12.853 -2.940 1.00 0.00 C ATOM 1452 CD ARG A 92 11.251 11.422 -3.324 1.00 0.00 C ATOM 1453 NE ARG A 92 11.758 11.388 -4.714 1.00 0.00 N ATOM 1454 CZ ARG A 92 12.987 11.781 -5.075 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.842 12.241 -4.151 1.00 0.00 N ATOM 1456 NH2 ARG A 92 13.361 11.715 -6.360 1.00 0.00 N ATOM 0 H ARG A 92 8.089 12.427 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 92 9.430 14.881 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.982 12.395 -3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.795 13.789 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.675 13.534 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.763 12.926 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.011 11.042 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.383 10.770 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 92 11.133 11.044 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.557 12.292 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.778 12.540 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.710 11.366 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.297 12.014 -6.635 1.00 0.00 H new ATOM 1470 N SER A 93 6.723 14.317 -4.009 1.00 0.00 N ATOM 1471 CA SER A 93 5.706 14.950 -4.831 1.00 0.00 C ATOM 1472 C SER A 93 5.338 16.317 -4.249 1.00 0.00 C ATOM 1473 O SER A 93 5.176 17.287 -4.987 1.00 0.00 O ATOM 1474 CB SER A 93 4.461 14.069 -4.944 1.00 0.00 C ATOM 1475 OG SER A 93 4.552 13.152 -6.031 1.00 0.00 O ATOM 0 H SER A 93 6.559 13.330 -3.812 1.00 0.00 H new ATOM 0 HA SER A 93 6.113 15.086 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.322 13.517 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.581 14.700 -5.074 1.00 0.00 H new ATOM 0 HG SER A 93 3.872 13.371 -6.701 1.00 0.00 H new ATOM 1481 N ARG A 94 5.217 16.349 -2.930 1.00 0.00 N ATOM 1482 CA ARG A 94 4.871 17.580 -2.240 1.00 0.00 C ATOM 1483 C ARG A 94 6.064 18.538 -2.234 1.00 0.00 C ATOM 1484 O ARG A 94 5.890 19.752 -2.324 1.00 0.00 O ATOM 1485 CB ARG A 94 4.442 17.301 -0.798 1.00 0.00 C ATOM 1486 CG ARG A 94 3.420 16.164 -0.740 1.00 0.00 C ATOM 1487 CD ARG A 94 3.106 15.782 0.708 1.00 0.00 C ATOM 1488 NE ARG A 94 4.327 15.894 1.537 1.00 0.00 N ATOM 1489 CZ ARG A 94 4.724 17.022 2.140 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.000 18.142 2.011 1.00 0.00 N ATOM 1491 NH2 ARG A 94 5.846 17.031 2.873 1.00 0.00 N ATOM 0 H ARG A 94 5.352 15.542 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 94 4.037 18.036 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.315 17.041 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.013 18.203 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.504 16.468 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.806 15.295 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.327 16.433 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.721 14.763 0.749 1.00 0.00 H new ATOM 0 HE ARG A 94 4.902 15.060 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.146 18.136 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.303 19.001 2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.398 16.179 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.148 17.890 3.332 1.00 0.00 H new ATOM 1505 N ILE A 95 7.250 17.955 -2.126 1.00 0.00 N ATOM 1506 CA ILE A 95 8.471 18.742 -2.107 1.00 0.00 C ATOM 1507 C ILE A 95 8.569 19.556 -3.399 1.00 0.00 C ATOM 1508 O ILE A 95 8.439 20.779 -3.378 1.00 0.00 O ATOM 1509 CB ILE A 95 9.683 17.844 -1.852 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.677 17.309 -0.419 1.00 0.00 C ATOM 1511 CG2 ILE A 95 10.986 18.573 -2.187 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.633 16.123 -0.272 1.00 0.00 C ATOM 0 H ILE A 95 7.390 16.948 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 95 8.452 19.454 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 95 9.616 16.983 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.967 18.102 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.667 17.003 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.832 17.912 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.981 18.863 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.075 19.464 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.609 15.762 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.326 15.322 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.646 16.439 -0.523 1.00 0.00 H new ATOM 1524 N ALA A 96 8.798 18.844 -4.493 1.00 0.00 N ATOM 1525 CA ALA A 96 8.915 19.484 -5.792 1.00 0.00 C ATOM 1526 C ALA A 96 9.684 20.798 -5.640 1.00 0.00 C ATOM 1527 O ALA A 96 9.082 21.867 -5.550 1.00 0.00 O ATOM 1528 CB ALA A 96 7.521 19.690 -6.387 1.00 0.00 C ATOM 0 H ALA A 96 8.906 17.830 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 96 9.474 18.852 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.609 20.170 -7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.028 18.725 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.932 20.322 -5.723 1.00 0.00 H new ATOM 1534 N SER A 97 11.003 20.675 -5.617 1.00 0.00 N ATOM 1535 CA SER A 97 11.860 21.840 -5.478 1.00 0.00 C ATOM 1536 C SER A 97 13.325 21.435 -5.653 1.00 0.00 C ATOM 1537 O SER A 97 13.655 20.251 -5.611 1.00 0.00 O ATOM 1538 CB SER A 97 11.655 22.516 -4.121 1.00 0.00 C ATOM 1539 OG SER A 97 11.028 23.789 -4.248 1.00 0.00 O ATOM 0 H SER A 97 11.499 19.787 -5.692 1.00 0.00 H new ATOM 0 HA SER A 97 11.592 22.556 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.046 21.874 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.619 22.634 -3.626 1.00 0.00 H new ATOM 0 HG SER A 97 10.177 23.688 -4.723 1.00 0.00 H new ATOM 1545 N GLY A 98 14.165 22.442 -5.846 1.00 0.00 N ATOM 1546 CA GLY A 98 15.587 22.206 -6.028 1.00 0.00 C ATOM 1547 C GLY A 98 16.400 22.872 -4.917 1.00 0.00 C ATOM 1548 O GLY A 98 16.411 24.096 -4.798 1.00 0.00 O ATOM 0 H GLY A 98 13.888 23.423 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.783 21.134 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.903 22.594 -6.997 1.00 0.00 H new ATOM 1552 N PRO A 99 17.080 22.014 -4.109 1.00 0.00 N ATOM 1553 CA PRO A 99 17.894 22.507 -3.011 1.00 0.00 C ATOM 1554 C PRO A 99 19.201 23.112 -3.526 1.00 0.00 C ATOM 1555 O PRO A 99 20.285 22.700 -3.116 1.00 0.00 O ATOM 1556 CB PRO A 99 18.112 21.301 -2.111 1.00 0.00 C ATOM 1557 CG PRO A 99 17.809 20.082 -2.967 1.00 0.00 C ATOM 1558 CD PRO A 99 17.092 20.558 -4.219 1.00 0.00 C ATOM 0 HA PRO A 99 17.413 23.316 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.136 21.272 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.457 21.340 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.730 19.561 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.188 19.374 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.612 20.233 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.080 20.157 -4.272 1.00 0.00 H new ATOM 1566 N SER A 100 19.056 24.081 -4.418 1.00 0.00 N ATOM 1567 CA SER A 100 20.212 24.748 -4.994 1.00 0.00 C ATOM 1568 C SER A 100 21.051 23.746 -5.790 1.00 0.00 C ATOM 1569 O SER A 100 21.387 22.675 -5.288 1.00 0.00 O ATOM 1570 CB SER A 100 21.064 25.409 -3.908 1.00 0.00 C ATOM 1571 OG SER A 100 22.253 25.987 -4.441 1.00 0.00 O ATOM 0 H SER A 100 18.156 24.420 -4.756 1.00 0.00 H new ATOM 0 HA SER A 100 19.857 25.530 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.479 26.180 -3.407 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.328 24.668 -3.153 1.00 0.00 H new ATOM 0 HG SER A 100 22.769 26.400 -3.717 1.00 0.00 H new ATOM 1577 N SER A 101 21.364 24.131 -7.019 1.00 0.00 N ATOM 1578 CA SER A 101 22.157 23.280 -7.890 1.00 0.00 C ATOM 1579 C SER A 101 21.305 22.117 -8.403 1.00 0.00 C ATOM 1580 O SER A 101 21.130 21.957 -9.610 1.00 0.00 O ATOM 1581 CB SER A 101 23.396 22.750 -7.164 1.00 0.00 C ATOM 1582 OG SER A 101 24.601 23.110 -7.832 1.00 0.00 O ATOM 0 H SER A 101 21.083 25.020 -7.432 1.00 0.00 H new ATOM 0 HA SER A 101 22.493 23.877 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.415 23.141 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.334 21.664 -7.087 1.00 0.00 H new ATOM 0 HG SER A 101 25.368 22.755 -7.337 1.00 0.00 H new ATOM 1588 N GLY A 102 20.798 21.336 -7.461 1.00 0.00 N ATOM 1589 CA GLY A 102 19.968 20.193 -7.802 1.00 0.00 C ATOM 1590 C GLY A 102 19.535 19.435 -6.546 1.00 0.00 C ATOM 1591 O GLY A 102 19.978 18.311 -6.312 1.00 0.00 O ATOM 0 H GLY A 102 20.946 21.472 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.088 20.529 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 102 20.519 19.524 -8.463 1.00 0.00 H new TER 1595 GLY A 102